data_1zu2_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 1zu2 _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 ' 9' ' ' ARG . . . . . . . . . . . . . 10.6 ttm180 . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.31 -0.255 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.441 ' CD1' ' HB3' ' A' ' 47' ' ' PHE . 30.0 mt -66.6 -39.64 84.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.277 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.8 mt -61.38 -42.72 99.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.472 HD11 ' CD1' ' A' ' 16' ' ' ILE . 0.1 OUTLIER -53.99 -53.21 56.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.444 ' N ' ' HG ' ' A' ' 12' ' ' LEU . 26.5 m-85 -63.91 -34.67 78.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 111.028 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -58.1 -59.9 4.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.273 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.463 ' HG3' ' N ' ' A' ' 16' ' ' ILE . 3.2 pt20 -50.56 -33.19 20.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 110.34 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.472 ' CD1' HD11 ' A' ' 12' ' ' LEU . 25.4 mt -71.34 -51.8 31.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.155 . . . . 0.0 109.313 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -51.23 -49.79 60.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.414 1.071 . . . . 0.0 110.274 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.435 ' O ' ' CB ' ' A' ' 22' ' ' ASN . 13.0 pt20 -64.24 -42.88 96.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 110.277 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.468 ' O ' ' CB ' ' A' ' 23' ' ' THR . 0.6 OUTLIER -64.53 -40.02 94.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.407 ' CB ' ' HB2' ' A' ' 37' ' ' TRP . . . -73.48 -57.51 3.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 109.345 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.565 ' HG3' ' CZ2' ' A' ' 37' ' ' TRP . 14.5 tt0 -52.88 -49.83 65.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.275 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.435 ' CB ' ' O ' ' A' ' 18' ' ' GLN . 16.1 t30 -62.73 -40.83 98.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.478 HG21 ' CB ' ' A' ' 33' ' ' ASN . 1.7 m -61.87 -24.79 67.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 110.361 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.442 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 7.9 t80 -51.95 -60.1 3.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.961 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.46 -28.4 69.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.64 -30.6 67.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.956 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.408 ' N ' ' O ' ' A' ' 23' ' ' THR . 1.9 t30 -169.46 90.39 0.56 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -1.91 11.84 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.507 1.793 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.512 ' O ' ' CG2' ' A' ' 70' ' ' ILE . 6.6 mt -89.01 -28.32 20.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -64.26 98.75 0.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.352 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.98 -25.84 62.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 -63.41 -51.33 66.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.478 ' CB ' HG21 ' A' ' 23' ' ' THR . 1.0 OUTLIER -69.55 -32.82 71.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.283 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.93 -39.52 87.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 24.1 m -72.41 -50.46 26.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.399 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.47 ' CD ' HG21 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -60.62 -24.32 65.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.294 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.573 ' CH2' ' HE3' ' A' ' 63' ' ' LYS . 14.4 t90 -67.63 -28.18 67.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 107.998 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.604 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -84.47 -55.03 2.81 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.488 1.118 . . . . 0.0 111.008 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -40.23 -44.75 3.03 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.454 ' CG1' ' N ' ' A' ' 41' ' ' LEU . 1.3 p -67.46 -47.3 81.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 0.776 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.463 HD11 ' CG ' ' A' ' 59' ' ' GLU . 13.8 mt -48.36 -44.44 34.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.461 HD21 ' CB ' ' A' ' 60' ' ' ALA . 13.5 mt -65.48 -40.49 93.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -65.7 -57.23 8.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 110.327 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.9 mt -59.81 -29.07 67.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.413 ' N ' ' HE2' ' A' ' 56' ' ' MET . 2.3 m -61.93 -27.52 68.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.977 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -67.74 -44.34 77.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 110.263 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.441 ' HB3' ' CD1' ' A' ' 10' ' ' ILE . 52.2 m-85 -79.37 -32.56 43.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 40.5 m-70 -78.8 143.31 36.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.602 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 53' ' ' ALA . 0.4 OUTLIER -44.34 150.32 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 110.009 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.519 HG23 ' CE ' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -51.33 -50.88 26.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.51 ' HA ' ' CE ' ' A' ' 54' ' ' LYS . 0.4 OUTLIER -44.82 -51.13 9.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.972 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.402 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 17.1 m-20 -76.01 -24.95 55.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 49' ' ' SER . . . -69.23 -42.4 75.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.275 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.519 ' CE ' HG23 ' A' ' 50' ' ' ILE . 5.1 mtmp? -62.71 -57.37 11.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.47 ' HG3' ' N ' ' A' ' 56' ' ' MET . 0.0 OUTLIER -56.06 -33.41 64.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.47 ' N ' ' HG3' ' A' ' 55' ' ' GLN . 16.1 mtp -70.62 -33.79 71.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.481 ' CG2' ' HB2' ' A' ' 88' ' ' PHE . 44.0 mt -72.75 -51.11 29.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -45.74 -54.14 8.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.463 ' CG ' HD11 ' A' ' 41' ' ' LEU . 3.9 pt-20 -65.92 -34.53 78.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 110.267 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.461 ' CB ' HD21 ' A' ' 42' ' ' LEU . . . -59.56 -29.4 67.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.328 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.495 HG12 ' CE1' ' A' ' 85' ' ' TYR . 0.4 OUTLIER -75.52 -59.36 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.919 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 20.6 p -49.61 -31.13 10.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.466 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.573 ' HE3' ' CH2' ' A' ' 37' ' ' TRP . 0.1 OUTLIER -66.05 -46.06 79.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.341 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.604 ' CE1' ' HA3' ' A' ' 38' ' ' GLY . 23.1 m-85 -61.14 -39.34 89.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.989 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -48.74 -55.37 11.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.33 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.86 -38.48 78.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.324 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.05 -40.98 97.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.4 mt -63.11 -28.84 70.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.44 -38.73 77.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.512 ' CG2' ' O ' ' A' ' 29' ' ' LEU . 5.0 mt -72.79 -41.91 61.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.267 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -143.54 104.37 5.01 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -17.76 19.3 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.449 1.763 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.88 0.01 46.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.095 . . . . 0.0 109.342 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.91 77.51 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.281 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.11 -26.38 11.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.258 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.457 ' HG3' ' CE3' ' A' ' 79' ' ' TRP . 0.8 OUTLIER -70.08 -52.3 24.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.295 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.36 -32.64 39.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 109.323 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 20.5 t -74.56 -52.81 18.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.457 ' CE3' ' HG3' ' A' ' 76' ' ' GLU . 0.4 OUTLIER -59.19 -46.85 87.32 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.58 ' HB3' ' CZ ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -50.29 -53.1 31.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 108.315 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.559 HG21 ' CZ ' ' A' ' 108' ' ' PHE . 56.7 mt -51.93 -38.92 24.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.483 ' HA3' ' CE1' ' A' ' 109' ' ' PHE . . . -72.99 -42.87 43.0 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.47 1.106 . . . . 0.0 111.017 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -63.78 -29.51 70.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 0.761 . . . . 0.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.455 ' HB3' ' CD1' ' A' ' 61' ' ' ILE . . . -69.63 -54.99 11.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.13 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.495 ' CE1' HG12 ' A' ' 61' ' ' ILE . 21.0 m-30 -56.23 -46.67 79.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 33.8 m -55.38 -46.24 76.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 110.45 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 34.0 t -67.17 -51.42 53.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.017 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.481 ' HB2' ' CG2' ' A' ' 57' ' ' ILE . 44.2 t80 -55.35 -34.36 64.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 111.007 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.575 ' HB1' ' CE2' ' A' ' 102' ' ' PHE . . . -59.78 -51.58 69.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.409 ' O ' ' CE1' ' A' ' 140' ' ' TYR . 40.7 m-85 -55.07 -23.97 22.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 111.04 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.435 ' CD2' ' CG1' ' A' ' 50' ' ' ILE . 21.2 mt -90.73 -19.61 23.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.443 ' O ' ' NE2' ' A' ' 136' ' ' HIS . 0.9 OUTLIER -95.84 119.22 65.22 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.402 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.478 ' HA ' ' CE2' ' A' ' 140' ' ' TYR . 18.2 Cg_endo -75.06 -27.18 10.14 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.508 1.794 . . . . 0.0 110.984 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 95' ' ' GLU . 0.1 OUTLIER -59.48 85.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 93' ' ' PRO . 56.5 mt-10 -38.14 -47.31 1.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.2 m -53.27 -57.69 9.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.436 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -63.4 -48.8 76.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 110.291 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.43 -53.4 54.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 55.4 mttt -60.31 -51.26 70.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.556 ' CD2' ' C ' ' A' ' 100' ' ' HIS . 0.2 OUTLIER -49.32 -38.47 27.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.598 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -72.65 -52.22 16.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.575 ' CE2' ' HB1' ' A' ' 89' ' ' ALA . 8.4 m-85 -51.11 -42.21 60.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.09 -20.63 60.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.98 -53.2 8.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.351 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.567 ' HB1' ' CZ ' ' A' ' 109' ' ' PHE . . . -51.39 -27.13 9.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.442 ' HA ' ' CD2' ' A' ' 109' ' ' PHE . 1.0 OUTLIER -64.73 -54.98 23.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.427 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -52.15 -28.1 16.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.559 ' CZ ' HG21 ' A' ' 81' ' ' ILE . 15.5 m-85 -81.87 -44.72 16.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.955 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.567 ' CZ ' ' HB1' ' A' ' 105' ' ' ALA . 23.4 m-30 -54.09 -38.03 64.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 111.02 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -57.95 -26.52 62.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.333 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -81.09 -44.09 18.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.281 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.15 -53.59 56.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.253 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.472 ' O ' ' N ' ' A' ' 117' ' ' PRO . 15.2 m -62.42 -35.47 69.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.25 -52.52 9.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.342 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -63.07 -44.06 96.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.418 ' O ' ' CG ' ' A' ' 116' ' ' GLN . 1.6 tt0 -156.03 91.46 2.67 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.472 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.2 Cg_endo -74.98 -4.53 15.55 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.484 1.781 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -86.26 0.56 53.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.268 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -75.48 117.54 17.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 81.4 p -57.05 -36.12 70.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.422 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . 0.413 ' H ' ' CD2' ' A' ' 121' ' ' HIS . 8.6 m-70 -64.03 -59.37 4.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.609 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.458 ' HB3' ' CG1' ' A' ' 113' ' ' VAL . 10.5 m-30 -54.32 -32.64 57.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.998 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.522 ' C ' ' CD2' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -63.0 -49.72 73.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.424 ' N ' HD13 ' A' ' 123' ' ' LEU . 3.3 tptt -61.99 -43.07 99.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.47 -39.92 81.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.967 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.434 ' O ' ' OG1' ' A' ' 129' ' ' THR . 5.7 tp -73.23 -56.06 5.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -54.1 -31.42 51.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.241 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 19.7 mmm -58.56 -32.14 68.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.951 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.434 ' OG1' ' O ' ' A' ' 126' ' ' LEU . 17.8 p -68.24 -30.33 69.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 110.386 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -42.11 -40.62 2.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.87 46.12 2.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . 0.541 ' N ' ' CD ' ' A' ' 133' ' ' PRO . . . -63.8 -50.07 72.78 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' PRO . . . . . 0.541 ' CD ' ' N ' ' A' ' 132' ' ' ALA . 18.3 Cg_endo -75.0 -25.09 12.2 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.488 1.783 . . . . 0.0 111.019 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . 0.469 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 30.7 mm-40 -80.37 -49.95 10.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.563 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 20.7 mt -49.92 -41.25 45.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' HIS . . . . . 0.55 ' CD2' ' CE1' ' A' ' 140' ' ' TYR . 51.9 t-80 -68.33 -44.45 75.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.66 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . 0.525 ' O ' ' CB ' ' A' ' 141' ' ' LYS . . . -61.87 -52.3 64.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.478 ' CG ' ' HA ' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -68.52 -27.69 66.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.582 1.176 . . . . 0.0 110.274 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.563 ' CB ' ' O ' ' A' ' 135' ' ' LEU . . . -66.57 -50.39 63.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' TYR . . . . . 0.55 ' CE1' ' CD2' ' A' ' 136' ' ' HIS . 5.5 m-85 -81.52 -32.59 32.27 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.479 1.112 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . 0.525 ' CB ' ' O ' ' A' ' 137' ' ' ALA . 0.2 OUTLIER -67.14 -46.9 72.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.283 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.423 HG21 ' CD2' ' A' ' 44' ' ' LEU . 21.7 mt -65.73 -40.59 88.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.7 mt -59.05 -43.16 91.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 109.311 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.49 ' CD1' ' CD1' ' A' ' 16' ' ' ILE . 0.2 OUTLIER -57.71 -49.88 75.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.468 ' CD1' HG23 ' A' ' 40' ' ' VAL . 14.5 m-85 -64.03 -27.02 68.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.967 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -67.55 -59.86 3.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.256 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.477 ' HG3' ' N ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -51.78 -28.07 14.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.088 . . . . 0.0 110.308 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.49 ' CD1' ' CD1' ' A' ' 12' ' ' LEU . 8.2 mt -71.8 -52.94 22.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.6 ttp180 -49.16 -59.33 3.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 110.339 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.424 ' HG3' ' O ' ' A' ' 15' ' ' GLN . 0.3 OUTLIER -53.5 -39.84 64.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.276 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.469 ' O ' ' CB ' ' A' ' 23' ' ' THR . 0.2 OUTLIER -64.98 -31.73 73.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.27 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.597 ' CB ' ' CG ' ' A' ' 37' ' ' TRP . . . -67.11 -46.0 75.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.65 ' HG2' ' CZ2' ' A' ' 37' ' ' TRP . 1.9 mt-10 -62.55 -41.06 98.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.285 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.413 ' C ' ' ND2' ' A' ' 22' ' ' ASN . 1.1 t30 -75.63 -40.47 56.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.266 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.469 ' CB ' ' O ' ' A' ' 19' ' ' ASP . 2.7 m -59.92 -23.08 63.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.391 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.446 ' O ' ' CD ' ' A' ' 28' ' ' PRO . 0.1 OUTLIER -55.68 -60.59 3.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 111.036 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.59 -29.15 70.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.6 t -70.74 -39.69 73.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.987 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.407 ' N ' ' O ' ' A' ' 23' ' ' THR . 0.7 OUTLIER -169.24 86.12 0.62 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.446 ' CD ' ' O ' ' A' ' 24' ' ' TYR . 18.2 Cg_endo -75.07 0.61 8.73 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.489 1.784 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.454 ' O ' ' CG2' ' A' ' 70' ' ' ILE . 15.5 mt -97.21 -10.83 25.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.255 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.491 ' O ' ' CB ' ' A' ' 34' ' ' LEU . 0.8 OUTLIER -68.48 99.55 0.98 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.25 -33.95 72.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -64.03 -55.87 19.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -67.68 -35.21 78.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.491 ' CB ' ' O ' ' A' ' 30' ' ' ASP . 0.3 OUTLIER -64.65 -54.78 26.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.5 m -57.73 -45.67 85.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.392 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.62 -27.06 57.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.347 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.65 ' CZ2' ' HG2' ' A' ' 21' ' ' GLU . 5.6 t90 -59.96 -26.65 66.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 108.017 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.585 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -85.16 -61.26 1.75 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.579 1.175 . . . . 0.0 110.982 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -37.53 -44.23 1.22 Allowed Glycine 0 CA--C 1.529 0.953 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.468 HG23 ' CD1' ' A' ' 13' ' ' PHE . 4.8 p -67.5 -50.92 57.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.467 0.745 . . . . 0.0 109.263 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.465 HD13 ' CG ' ' A' ' 59' ' ' GLU . 38.4 mt -49.13 -43.47 41.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 25.8 mt -63.93 -36.94 85.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 109.271 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -65.68 -59.2 4.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.272 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.423 ' CD2' HG21 ' A' ' 10' ' ' ILE . 16.4 mt -62.08 -25.74 67.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.77 -42.71 68.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.031 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -58.22 -36.47 73.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.71 ' CE2' ' CD2' ' A' ' 48' ' ' HIS . 0.0 OUTLIER -80.47 -33.1 36.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.994 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.71 ' CD2' ' CE2' ' A' ' 47' ' ' PHE . 9.1 m-70 -80.42 137.05 36.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.621 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.9 m -47.43 154.33 0.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.028 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.43 HG21 ' N ' ' A' ' 51' ' ' SER . 0.2 OUTLIER -51.78 -47.54 39.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.43 ' N ' HG21 ' A' ' 50' ' ' ILE . 28.3 t -44.82 -56.32 4.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.997 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.0 -39.14 66.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -46.65 -54.26 9.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.113 . . . . 0.0 109.245 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.06 -58.17 6.08 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -54.09 -42.93 69.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 86.2 mtp -63.26 -32.28 73.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.966 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.443 ' CG2' ' HB2' ' A' ' 88' ' ' PHE . 18.9 mt -72.76 -49.28 41.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 109.323 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -48.21 -53.9 15.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.36 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.465 ' CG ' HD13 ' A' ' 41' ' ' LEU . 3.4 pt-20 -63.12 -35.56 80.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 110.265 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.4 ' O ' ' CD2' ' A' ' 64' ' ' PHE . . . -59.65 -28.88 67.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.25 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.566 HG12 ' CE1' ' A' ' 85' ' ' TYR . 0.7 OUTLIER -78.05 -55.37 10.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 50.6 p -50.56 -27.82 7.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.405 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.441 ' HG3' ' CD1' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -71.9 -47.92 49.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.585 ' CE1' ' HA3' ' A' ' 38' ' ' GLY . 22.8 m-85 -58.55 -43.54 89.34 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 111.023 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -48.96 -55.22 12.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 110.316 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.463 ' HG2' ' CD2' ' A' ' 34' ' ' LEU . 2.9 tp10 -60.39 -45.68 92.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.314 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.449 ' CB ' ' HG ' ' A' ' 34' ' ' LEU . . . -55.52 -44.79 76.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.5 mt -64.1 -33.21 75.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.32 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.75 -27.41 69.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.454 ' CG2' ' O ' ' A' ' 29' ' ' LEU . 4.4 mt -80.05 -39.8 19.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -155.4 114.58 2.28 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -5.0 16.22 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.539 1.81 . . . . 0.0 110.992 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 75' ' ' ASP . 0.9 OUTLIER -82.51 -6.94 59.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.2 tptp -66.93 73.27 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 109.356 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' A' ' 75' ' ' ASP . 0.7 OUTLIER -52.16 -34.11 43.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.426 ' HG3' ' CE3' ' A' ' 79' ' ' TRP . 40.0 tt0 -64.11 -49.24 72.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.306 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.52 -32.31 39.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.437 ' CG1' ' HB2' ' A' ' 111' ' ' GLN . 28.5 t -74.49 -52.63 19.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.426 ' CE3' ' HG3' ' A' ' 76' ' ' GLU . 0.5 OUTLIER -59.11 -48.24 82.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 108.01 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.578 ' HB3' ' CZ ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -50.74 -51.92 45.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 108.316 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.516 HG23 ' CZ ' ' A' ' 108' ' ' PHE . 41.5 mt -51.97 -45.17 40.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.353 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.474 ' CA ' ' HB3' ' A' ' 105' ' ' ALA . . . -66.62 -41.21 94.11 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -64.4 -37.46 87.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 0.738 . . . . 0.0 109.298 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.471 ' HB3' ' CD1' ' A' ' 61' ' ' ILE . . . -62.6 -55.18 29.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.566 ' CE1' HG12 ' A' ' 61' ' ' ILE . 21.3 m-30 -57.18 -42.34 80.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.168 . . . . 0.0 110.994 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.454 HG22 ' CE1' ' A' ' 102' ' ' PHE . 41.7 m -59.26 -51.93 67.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 110.445 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.0 m -61.63 -50.6 71.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.967 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.443 ' HB2' ' CG2' ' A' ' 57' ' ' ILE . 41.0 t80 -55.31 -30.98 61.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 111.029 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.441 ' HB3' ' CE2' ' A' ' 102' ' ' PHE . . . -64.08 -48.91 74.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.44 ' O ' ' CE1' ' A' ' 140' ' ' TYR . 35.0 m-85 -54.74 -25.99 31.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.419 ' CD2' ' CG1' ' A' ' 50' ' ' ILE . 7.7 mt -89.25 -18.75 26.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.236 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.427 ' O ' ' NE2' ' A' ' 136' ' ' HIS . 1.2 m -93.92 118.64 67.31 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.37 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.509 ' HA ' ' CE2' ' A' ' 140' ' ' TYR . 18.2 Cg_endo -75.01 -27.46 9.97 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.513 1.796 . . . . 0.0 111.009 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 95' ' ' GLU . 13.8 m-20 -59.36 85.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 93' ' ' PRO . 43.1 mt-10 -38.81 -47.68 1.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.337 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.467 ' CG2' ' N ' ' A' ' 97' ' ' GLU . 14.0 t -52.86 -53.48 48.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 110.391 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.467 ' N ' ' CG2' ' A' ' 96' ' ' THR . 1.8 mt-10 -66.96 -49.6 64.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.253 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -53.95 -53.16 56.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.44 -49.82 76.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.555 ' CD2' ' C ' ' A' ' 100' ' ' HIS . 0.2 OUTLIER -51.2 -43.54 61.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.617 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -64.09 -54.02 40.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.454 ' CE1' HG22 ' A' ' 86' ' ' THR . 5.4 m-85 -51.65 -41.85 61.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.1 . . . . 0.0 110.981 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -73.01 -19.61 61.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -78.69 -47.51 16.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.526 ' HB3' ' CZ ' ' A' ' 109' ' ' PHE . . . -59.09 -23.96 62.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.483 ' HA ' ' CD2' ' A' ' 109' ' ' PHE . 2.2 m -61.67 -55.19 33.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.388 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.41 ' HG3' ' N ' ' A' ' 108' ' ' PHE . 0.8 OUTLIER -55.35 -23.9 26.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 110.305 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.516 ' CZ ' HG23 ' A' ' 81' ' ' ILE . 8.3 m-85 -83.01 -44.93 14.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.164 . . . . 0.0 110.964 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.526 ' CZ ' ' HB3' ' A' ' 105' ' ' ALA . 21.0 m-30 -54.08 -30.09 47.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 110.996 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.93 -35.27 76.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.142 . . . . 0.0 110.327 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.437 ' HB2' ' CG1' ' A' ' 78' ' ' VAL . 33.9 mt-30 -77.0 -37.51 54.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 110.325 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.493 ' O ' ' CD2' ' A' ' 122' ' ' TYR . . . -62.61 -53.16 58.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.478 ' O ' ' N ' ' A' ' 117' ' ' PRO . 5.0 m -69.79 -36.16 68.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.402 ' OD1' ' OE2' ' A' ' 115' ' ' GLU . 0.0 OUTLIER -44.62 -44.41 8.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.407 ' O ' ' OE1' ' A' ' 116' ' ' GLN . 60.7 mm-40 -75.1 -43.64 51.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 110.312 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.407 ' OE1' ' O ' ' A' ' 115' ' ' GLU . 13.6 mm100 -142.51 83.84 11.6 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.296 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.478 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.5 Cg_endo -74.96 -2.72 12.91 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.514 1.797 . . . . 0.0 111.046 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -97.42 -12.06 23.16 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -65.49 127.63 32.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' THR . . . . . 0.403 ' O ' HD12 ' A' ' 123' ' ' LEU . 53.1 p -57.11 -54.26 48.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 110.381 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . 0.436 ' H ' ' CD2' ' A' ' 121' ' ' HIS . 10.1 m-70 -50.57 -58.61 5.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.623 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.493 ' CD2' ' O ' ' A' ' 112' ' ' ALA . 9.6 m-30 -55.68 -25.58 40.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 111.087 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.518 ' C ' ' CD2' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -75.43 -51.72 12.41 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.422 ' N ' HD12 ' A' ' 123' ' ' LEU . 0.0 OUTLIER -60.89 -45.05 96.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.87 -36.18 72.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.036 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.414 ' O ' ' OG1' ' A' ' 129' ' ' THR . 45.9 tp -73.21 -44.96 58.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -67.52 -33.8 75.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 110.323 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' MET . . . . . 0.437 ' CE ' HD13 ' A' ' 135' ' ' LEU . 0.0 OUTLIER -50.3 -30.42 11.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.414 ' OG1' ' O ' ' A' ' 126' ' ' LEU . 29.9 p -67.91 -29.6 68.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.408 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -48.51 -37.08 16.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 10.4 mttm -124.32 42.63 3.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . 0.462 ' N ' ' CD ' ' A' ' 133' ' ' PRO . . . -63.16 -54.35 46.29 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' PRO . . . . . 0.462 ' CD ' ' N ' ' A' ' 132' ' ' ALA . 18.4 Cg_endo -74.96 -22.72 14.59 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.515 1.797 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . 0.47 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 5.4 tp-100 -80.26 -51.74 8.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.331 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.546 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 45.1 mt -48.93 -41.44 33.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' HIS . . . . . 0.482 ' CD2' ' CE1' ' A' ' 140' ' ' TYR . 43.9 t-80 -68.72 -44.48 73.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.592 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . 0.524 ' O ' ' CB ' ' A' ' 141' ' ' LYS . . . -61.9 -52.09 65.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.472 ' CG ' ' HA ' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -68.69 -27.38 65.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.318 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.546 ' CB ' ' O ' ' A' ' 135' ' ' LEU . . . -65.9 -50.07 65.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' TYR . . . . . 0.509 ' CE2' ' HA ' ' A' ' 93' ' ' PRO . 5.6 m-85 -82.77 -32.29 27.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.957 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . 0.524 ' CB ' ' O ' ' A' ' 137' ' ' ALA . 0.0 OUTLIER -68.16 -48.1 66.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.284 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.487 ' HG2' ' CE2' ' A' ' 13' ' ' PHE . 13.7 ttm105 . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.572 HD13 ' CD1' ' A' ' 47' ' ' PHE . 40.5 mt -59.83 -42.46 89.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.4 mt -53.62 -33.03 53.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.524 ' CD1' ' CD1' ' A' ' 16' ' ' ILE . 0.2 OUTLIER -72.84 -47.65 44.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.487 ' CE2' ' HG2' ' A' ' 9' ' ' ARG . 11.1 m-85 -63.88 -38.16 90.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.961 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -56.94 -60.14 4.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 110.311 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.458 ' CG ' ' O ' ' A' ' 12' ' ' LEU . 9.3 pt20 -50.44 -32.7 18.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 110.321 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.524 ' CD1' ' CD1' ' A' ' 12' ' ' LEU . 19.5 mt -71.37 -53.43 21.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.517 ' O ' ' CB ' ' A' ' 21' ' ' GLU . 9.6 ttp180 -56.32 -37.94 70.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.34 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 12.7 tp60 -67.62 -48.81 65.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 110.292 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.502 ' O ' ' CB ' ' A' ' 23' ' ' THR . 0.5 OUTLIER -67.44 -43.3 81.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.85 -51.48 55.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.556 ' HG3' ' CZ2' ' A' ' 37' ' ' TRP . 17.9 tt0 -61.05 -41.52 96.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.313 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -75.5 -26.01 57.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.502 ' CB ' ' O ' ' A' ' 19' ' ' ASP . 1.1 m -66.19 -24.59 66.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.377 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -52.72 -60.46 3.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.948 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.17 -27.9 69.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.06 -38.24 72.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.005 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 23' ' ' THR . 0.7 OUTLIER -169.38 91.8 0.56 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 109.336 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 0.6 8.69 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.512 1.796 . . . . 0.0 110.982 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.521 ' O ' ' CG2' ' A' ' 70' ' ' ILE . 7.8 mt -88.53 -30.28 19.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.16 99.13 0.25 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.343 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.427 ' HB1' ' CA ' ' A' ' 67' ' ' ALA . . . -72.81 -37.71 67.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -50.88 -54.77 21.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.476 ' CB ' HG22 ' A' ' 23' ' ' THR . 0.8 OUTLIER -66.18 -37.11 84.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.428 ' CD1' ' HB3' ' A' ' 66' ' ' GLU . 0.5 OUTLIER -57.76 -56.21 24.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.438 ' CG2' ' HG2' ' A' ' 76' ' ' GLU . 1.7 m -58.83 -36.91 75.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.374 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.467 ' CD ' HG22 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -70.47 -27.24 64.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.556 ' CZ2' ' HG3' ' A' ' 21' ' ' GLU . 13.0 t90 -67.54 -26.95 66.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 107.96 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.576 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -83.53 -58.06 2.35 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.547 1.154 . . . . 0.0 110.975 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 38' ' ' GLY . . . -37.69 -45.73 1.51 Allowed Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.459 ' CG1' ' N ' ' A' ' 41' ' ' LEU . 0.8 OUTLIER -67.32 -46.83 82.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 0.748 . . . . 0.0 109.297 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.464 HD12 ' CG ' ' A' ' 59' ' ' GLU . 12.5 mt -48.74 -44.3 38.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.441 HD21 ' CB ' ' A' ' 60' ' ' ALA . 14.0 mt -65.5 -38.2 89.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -65.86 -58.51 5.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.262 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.56 HD23 ' CE2' ' A' ' 47' ' ' PHE . 3.3 mt -61.86 -26.43 68.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.6 m -58.46 -36.16 73.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.0 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.46 ' HG2' ' N ' ' A' ' 47' ' ' PHE . 4.7 pt20 -67.95 -37.0 81.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.33 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.572 ' CD1' HD13 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -80.65 -19.33 45.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.978 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -78.78 -92.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.582 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.1 t 172.04 148.83 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.967 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.43 ' CG1' ' CD2' ' A' ' 91' ' ' LEU . 0.1 OUTLIER -45.57 -50.37 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.55 ' HA ' ' CE ' ' A' ' 54' ' ' LYS . 41.1 t -43.45 -56.33 3.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.992 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -77.47 -43.57 31.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -45.43 -51.32 11.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.337 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.55 ' CE ' ' HA ' ' A' ' 51' ' ' SER . 6.0 mtmp? -48.75 -46.08 40.62 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 109.236 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -73.79 -50.62 19.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 110.284 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 98.2 mtp -53.63 -29.73 39.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 111.02 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 20.3 mt -72.73 -50.75 31.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -45.45 -54.82 6.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.149 . . . . 0.0 110.272 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.464 ' CG ' HD12 ' A' ' 41' ' ' LEU . 3.9 pt-20 -64.79 -36.53 84.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 110.276 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.441 ' CB ' HD21 ' A' ' 42' ' ' LEU . . . -59.53 -28.74 67.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.404 HG21 ' N ' ' A' ' 62' ' ' THR . 0.6 OUTLIER -81.13 -56.26 6.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.288 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.404 ' N ' HG21 ' A' ' 61' ' ' ILE . 70.3 p -49.78 -25.94 3.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.414 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.555 ' HE3' ' CH2' ' A' ' 37' ' ' TRP . 0.1 OUTLIER -73.78 -48.77 29.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.576 ' CE1' ' HA3' ' A' ' 38' ' ' GLY . 22.4 m-85 -56.52 -44.22 80.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -50.78 -55.42 16.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.311 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.428 ' HB3' ' CD1' ' A' ' 34' ' ' LEU . 1.5 tp10 -56.43 -36.77 69.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.577 1.173 . . . . 0.0 110.301 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.427 ' CA ' ' HB1' ' A' ' 31' ' ' ALA . . . -64.81 -46.51 81.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 16.3 mt -57.48 -32.86 67.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.69 -33.73 76.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.137 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.521 ' CG2' ' O ' ' A' ' 29' ' ' LEU . 6.3 mt -74.78 -44.08 46.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -151.8 112.29 2.93 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.128 . . . . 0.0 109.297 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -7.43 19.11 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.485 1.782 . . . . 0.0 110.984 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 75' ' ' ASP . 1.3 mttt -82.81 -7.21 59.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.3 tptt -65.72 74.9 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.4 OUTLIER -51.9 -28.48 16.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.254 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.509 ' HG3' ' CE3' ' A' ' 79' ' ' TRP . 25.4 tt0 -68.7 -51.24 43.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.449 1.093 . . . . 0.0 110.301 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.26 -32.28 36.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.333 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.422 ' CG1' ' HB2' ' A' ' 111' ' ' GLN . 19.1 t -74.68 -52.71 18.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.509 ' CE3' ' HG3' ' A' ' 76' ' ' GLU . 0.4 OUTLIER -59.26 -46.08 89.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 108.022 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.561 ' HB3' ' CZ ' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -50.06 -52.63 32.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 108.306 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.573 HG22 ' CZ ' ' A' ' 108' ' ' PHE . 66.8 mt -51.99 -37.21 21.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.486 ' HA3' ' CE1' ' A' ' 109' ' ' PHE . . . -72.57 -43.02 45.82 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.524 1.14 . . . . 0.0 110.992 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -64.43 -34.45 78.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 0.775 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.83 -54.56 13.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.521 ' CE2' HG21 ' A' ' 81' ' ' ILE . 4.5 m-85 -57.89 -46.55 84.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.977 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 53.1 m -55.83 -46.84 78.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 110.368 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 39.2 m -66.7 -51.62 53.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 110.018 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -53.74 -34.01 57.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.439 ' HB2' ' CE2' ' A' ' 102' ' ' PHE . . . -57.58 -50.39 73.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.402 ' CE2' ' HZ ' ' A' ' 102' ' ' PHE . 49.2 m-85 -56.09 -25.25 44.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.43 ' CD2' ' CG1' ' A' ' 50' ' ' ILE . 0.6 OUTLIER -92.16 16.99 10.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.323 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.448 ' O ' ' NE2' ' A' ' 136' ' ' HIS . 0.9 OUTLIER -133.88 118.17 14.22 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.398 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.466 ' HA ' ' CE2' ' A' ' 140' ' ' TYR . 18.3 Cg_endo -75.02 -24.96 12.28 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.479 1.778 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.87 85.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 93' ' ' PRO . 92.4 mt-10 -39.16 -47.61 1.62 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.291 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.462 ' CG2' ' N ' ' A' ' 97' ' ' GLU . 15.2 t -52.81 -52.83 55.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 110.402 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.462 ' N ' ' CG2' ' A' ' 96' ' ' THR . 3.4 mt-10 -68.49 -49.03 62.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.289 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -53.75 -52.98 58.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.248 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.1 tttm -60.26 -51.88 67.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.549 ' CD2' ' C ' ' A' ' 100' ' ' HIS . 0.2 OUTLIER -49.52 -43.65 45.72 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.098 . . . . 0.0 109.652 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . 0.48 ' ND2' ' CD1' ' A' ' 85' ' ' TYR . 0.9 OUTLIER -62.95 -56.63 15.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.485 ' CD1' ' HB1' ' A' ' 132' ' ' ALA . 8.6 m-85 -50.98 -41.46 59.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 111.01 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -72.53 -20.5 61.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -77.13 -48.32 18.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.567 ' HB1' ' CZ ' ' A' ' 109' ' ' PHE . . . -59.97 -24.33 64.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.7 m -63.22 -54.79 31.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.137 . . . . 0.0 110.447 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.414 ' HG3' ' N ' ' A' ' 108' ' ' PHE . 0.7 OUTLIER -56.87 -23.01 41.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.246 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.573 ' CZ ' HG22 ' A' ' 81' ' ' ILE . 13.7 m-85 -82.24 -47.93 11.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.567 ' CZ ' ' HB1' ' A' ' 105' ' ' ALA . 21.2 m-85 -53.83 -37.04 63.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 0.0 110.991 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.04 -29.6 60.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.29 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.422 ' HB2' ' CG1' ' A' ' 78' ' ' VAL . 38.2 mt-30 -80.79 -43.19 20.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 110.307 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.69 -44.34 97.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.465 ' O ' ' N ' ' A' ' 117' ' ' PRO . 5.7 m -71.63 -37.64 64.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.81 -49.09 15.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.341 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -64.71 -40.94 96.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 110.246 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -160.06 90.69 1.78 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 110.304 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.465 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.0 Cg_endo -75.07 -3.53 14.05 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.512 1.796 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -88.44 -2.55 58.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -74.1 116.82 15.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 66.5 p -58.2 -23.79 56.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 110.383 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . 0.432 ' H ' ' CD2' ' A' ' 121' ' ' HIS . 4.4 m-70 -71.61 -59.13 2.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.589 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.466 ' CD1' ' N ' ' A' ' 122' ' ' TYR . 7.2 m-30 -60.88 -35.17 75.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 111.017 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.516 ' C ' ' CD2' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -55.48 -46.03 76.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.427 ' N ' HD11 ' A' ' 123' ' ' LEU . 1.7 tptm -63.36 -41.08 98.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.63 -40.34 83.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.962 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.401 ' O ' ' OG1' ' A' ' 129' ' ' THR . 16.6 tp -72.59 -42.89 64.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.258 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.81 -32.91 74.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.32 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 31.1 mmm -58.72 -32.8 69.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 126' ' ' LEU . 15.8 p -68.62 -33.71 74.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.385 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -42.06 -39.86 2.08 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -125.29 44.87 2.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . 0.53 ' N ' ' CD ' ' A' ' 133' ' ' PRO . . . -64.24 -51.14 63.77 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' PRO . . . . . 0.53 ' CD ' ' N ' ' A' ' 132' ' ' ALA . 18.4 Cg_endo -75.01 -25.06 12.2 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.457 1.767 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . 0.44 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 64.2 mm-40 -80.27 -50.78 9.73 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 110.292 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.543 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 40.5 mt -48.98 -39.16 25.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' HIS . . . . . 0.638 ' CD2' ' CE1' ' A' ' 140' ' ' TYR . 48.3 t-80 -70.24 -44.74 67.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.569 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . 0.522 ' O ' ' CB ' ' A' ' 141' ' ' LYS . . . -61.77 -51.77 66.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.479 ' CG ' ' HA ' ' A' ' 135' ' ' LEU . 0.1 OUTLIER -68.44 -27.58 66.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.292 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.543 ' CB ' ' O ' ' A' ' 135' ' ' LEU . . . -66.61 -50.3 63.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' TYR . . . . . 0.638 ' CE1' ' CD2' ' A' ' 136' ' ' HIS . 5.2 m-85 -81.5 -35.5 30.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 110.962 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . 0.522 ' CB ' ' O ' ' A' ' 137' ' ' ALA . 0.1 OUTLIER -62.29 -47.63 83.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.288 -179.978 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.457 ' CG ' ' CE2' ' A' ' 13' ' ' PHE . 9.9 ttm180 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 72.4 mt -59.09 -44.71 92.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 0.0 109.339 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.2 mt -55.24 -40.33 70.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.275 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.462 ' CD1' HD12 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -61.85 -49.15 77.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.457 ' CE2' ' CG ' ' A' ' 9' ' ' ARG . 11.3 m-85 -63.79 -26.81 68.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -66.24 -53.26 39.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 110.292 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.523 ' HG3' ' N ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -57.75 -29.81 65.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.266 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.523 ' N ' ' HG3' ' A' ' 15' ' ' GLN . 55.9 mt -71.63 -50.76 37.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.0 ttm180 -50.67 -47.17 58.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.268 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.437 ' HG3' ' N ' ' A' ' 19' ' ' ASP . 19.0 pt20 -67.25 -43.86 80.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.329 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.46 ' O ' ' CB ' ' A' ' 23' ' ' THR . 0.2 OUTLIER -64.62 -40.39 95.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.473 ' CB ' ' HB2' ' A' ' 37' ' ' TRP . . . -73.52 -51.46 16.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.578 ' HG3' ' CZ2' ' A' ' 37' ' ' TRP . 16.1 tt0 -58.94 -45.59 90.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 110.347 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 21.0 t30 -66.0 -52.15 51.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.266 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.46 ' CB ' ' O ' ' A' ' 19' ' ' ASP . 16.3 m -53.58 -23.84 12.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.4 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.429 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 6.0 t80 -52.46 -56.93 11.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.69 -32.36 70.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.352 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.48 -21.28 62.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.029 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 23' ' ' THR . 1.8 m120 -169.66 82.58 0.63 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -1.75 11.63 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.52 1.8 . . . . 0.0 111.036 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.43 ' O ' ' CG2' ' A' ' 70' ' ' ILE . 9.3 mt -100.47 8.43 43.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -90.49 98.74 11.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.7 -24.3 63.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.243 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -72.97 -49.71 27.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.442 ' ND2' HG23 ' A' ' 23' ' ' THR . 7.8 t-20 -64.35 -38.02 89.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.499 ' CD2' ' HG3' ' A' ' 63' ' ' LYS . 0.7 OUTLIER -64.01 -48.69 75.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 62.4 m -60.35 -39.37 86.91 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.51 1.131 . . . . 0.0 110.415 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.3 ttm180 -70.48 -47.2 61.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.301 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.595 ' CE3' ' HG2' ' A' ' 63' ' ' LYS . 14.3 t90 -50.08 -27.12 5.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 107.993 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.578 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -84.9 -58.2 2.16 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.515 1.135 . . . . 0.0 110.994 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -40.22 -43.95 2.82 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.47 ' CG1' ' N ' ' A' ' 41' ' ' LEU . 1.0 OUTLIER -67.37 -48.1 78.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.498 0.763 . . . . 0.0 109.341 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.481 HD13 ' CG ' ' A' ' 59' ' ' GLU . 14.0 mt -48.22 -42.84 31.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.404 HD23 ' CB ' ' A' ' 60' ' ' ALA . 18.6 mt -65.53 -37.94 88.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -65.69 -58.89 4.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.276 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.6 mt -61.99 -25.37 67.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.89 -37.59 85.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.981 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.463 ' HG2' ' N ' ' A' ' 47' ' ' PHE . 0.6 OUTLIER -62.18 -37.06 83.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 110.32 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.723 ' CZ ' ' CE1' ' A' ' 48' ' ' HIS . 0.0 OUTLIER -80.73 -31.11 36.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.723 ' CE1' ' CZ ' ' A' ' 47' ' ' PHE . 14.0 m-70 -79.57 148.81 31.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.579 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 53' ' ' ALA . 49.1 m -51.37 158.71 0.8 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 110.04 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.473 HG23 ' CD ' ' A' ' 54' ' ' LYS . 0.2 OUTLIER -53.54 -48.67 58.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.277 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.453 ' N ' HG22 ' A' ' 50' ' ' ILE . 0.3 OUTLIER -49.8 -56.39 10.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 110.004 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.497 ' O ' ' CG ' ' A' ' 56' ' ' MET . 21.6 m-20 -69.1 -24.87 64.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.474 ' N ' ' O ' ' A' ' 49' ' ' SER . . . -67.25 -48.7 66.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.473 ' CD ' HG23 ' A' ' 50' ' ' ILE . 0.3 OUTLIER -59.32 -58.71 7.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.264 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.42 ' HG2' ' O ' ' A' ' 52' ' ' ASP . 1.9 pt20 -53.9 -39.74 66.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 110.327 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.497 ' CG ' ' O ' ' A' ' 52' ' ' ASP . 8.0 mmm -70.49 -33.17 70.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 111.0 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.418 ' CG2' ' HB2' ' A' ' 88' ' ' PHE . 19.3 mt -72.97 -46.85 50.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -49.31 -54.95 14.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 110.322 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.481 ' CG ' HD13 ' A' ' 41' ' ' LEU . 4.3 pt-20 -62.38 -34.73 77.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.274 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.453 ' N ' ' HG2' ' A' ' 59' ' ' GLU . . . -59.73 -30.01 68.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.346 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -79.56 -54.31 11.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.244 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 72.2 p -49.93 -30.75 10.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 110.379 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.595 ' HG2' ' CE3' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -69.46 -49.17 57.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.578 ' CE1' ' HA3' ' A' ' 38' ' ' GLY . 22.4 m-85 -56.17 -42.44 77.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -49.36 -55.3 13.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.108 . . . . 0.0 110.297 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -60.2 -34.02 73.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 110.3 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.81 -44.77 88.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 12.7 mt -59.72 -28.77 67.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.07 -33.98 72.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.43 ' CG2' ' O ' ' A' ' 29' ' ' LEU . 6.0 mt -74.5 -45.38 45.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -145.95 111.32 4.45 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -13.69 21.45 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.482 1.78 . . . . 0.0 110.994 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.5 ptmt -82.77 1.25 39.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.0 tptp -73.44 70.86 1.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.405 ' CG ' ' CB ' ' A' ' 115' ' ' GLU . 0.5 OUTLIER -51.59 -31.91 26.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 109.276 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.467 ' HG3' ' CE3' ' A' ' 79' ' ' TRP . 3.7 tp10 -62.97 -47.69 82.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.269 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.4 -33.02 58.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.479 ' CG1' ' HB2' ' A' ' 111' ' ' GLN . 41.5 t -74.63 -53.23 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.467 ' CE3' ' HG3' ' A' ' 76' ' ' GLU . 0.8 OUTLIER -58.54 -50.96 71.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 108.02 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.534 ' SG ' ' CZ ' ' A' ' 64' ' ' PHE . 0.5 OUTLIER -50.62 -50.47 54.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 108.318 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.579 HG22 ' CZ ' ' A' ' 108' ' ' PHE . 29.7 mt -51.93 -38.57 23.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.483 ' CA ' ' HB3' ' A' ' 105' ' ' ALA . . . -71.6 -38.52 61.49 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -64.63 -35.12 79.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 0.734 . . . . 0.0 109.305 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.61 -55.45 11.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.35 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -55.89 -40.2 72.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 111.023 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 49.5 m -61.44 -52.25 65.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 110.4 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 32.7 t -60.75 -52.0 66.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.969 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.418 ' HB2' ' CG2' ' A' ' 57' ' ' ILE . 53.9 t80 -52.5 -34.19 48.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 111.008 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.97 -50.24 69.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.411 ' O ' ' OH ' ' A' ' 140' ' ' TYR . 30.7 m-85 -56.39 -17.62 8.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.45 ' CD2' HG13 ' A' ' 50' ' ' ILE . 34.1 mt -95.83 -19.07 19.89 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.496 1.122 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -97.22 116.14 65.9 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.351 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.44 ' O ' ' N ' ' A' ' 95' ' ' GLU . 18.3 Cg_endo -74.97 -24.83 12.49 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.516 1.798 . . . . 0.0 110.977 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -59.06 86.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.275 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 93' ' ' PRO . 43.0 mt-10 -40.95 -47.53 3.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.312 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.429 ' CG2' ' N ' ' A' ' 97' ' ' GLU . 1.8 t -53.09 -46.53 68.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.374 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.429 ' N ' ' CG2' ' A' ' 96' ' ' THR . 5.5 mm-40 -75.87 -50.07 16.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.27 -54.03 45.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.25 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.6 ttpt -53.22 -47.05 69.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -58.98 -45.66 90.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.597 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -61.03 -53.98 50.51 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.523 ' CE2' ' HB2' ' A' ' 136' ' ' HIS . 8.8 m-85 -50.71 -42.54 57.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.099 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.79 -20.95 59.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.414 ' O ' ' CG ' ' A' ' 107' ' ' GLN . 0.0 OUTLIER -73.52 -51.55 16.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.252 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.483 ' HB3' ' CA ' ' A' ' 82' ' ' GLY . . . -59.65 -24.82 64.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.337 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.6 m -64.97 -54.74 25.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.415 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.414 ' CG ' ' O ' ' A' ' 104' ' ' LEU . 1.2 pt20 -53.79 -23.43 12.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.579 ' CZ ' HG22 ' A' ' 81' ' ' ILE . 4.9 m-85 -82.48 -47.95 11.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 111.037 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.575 ' CD2' HG23 ' A' ' 129' ' ' THR . 13.1 m-85 -54.11 -25.58 22.73 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.21 -30.66 70.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 110.268 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.479 ' HB2' ' CG1' ' A' ' 78' ' ' VAL . 33.3 mt-30 -81.26 -35.11 31.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.328 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.2 -50.35 72.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.472 ' CG1' ' HB3' ' A' ' 122' ' ' TYR . 3.9 m -70.51 -39.86 76.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -45.15 -48.93 12.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.405 ' CB ' ' CG ' ' A' ' 75' ' ' ASP . 3.9 mm-40 -63.65 -44.29 94.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.442 ' O ' ' CG ' ' A' ' 116' ' ' GLN . 2.1 tt0 -156.16 89.24 2.81 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.293 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.463 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.3 Cg_endo -74.96 -3.63 14.21 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.54 1.81 . . . . 0.0 111.016 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -86.75 2.13 49.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 109.336 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -81.94 117.76 22.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 44.7 p -58.16 -29.75 65.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 110.414 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . 0.424 ' CD2' ' H ' ' A' ' 121' ' ' HIS . 5.2 m-70 -66.91 -59.72 3.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.572 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.472 ' HB3' ' CG1' ' A' ' 113' ' ' VAL . 13.9 m-30 -55.86 -33.85 64.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 111.012 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.561 ' C ' ' CD2' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -60.34 -48.05 83.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.421 ' N ' HD11 ' A' ' 123' ' ' LEU . 1.8 tptp -59.37 -39.26 82.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.341 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.49 -44.13 76.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.012 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.417 ' O ' ' OG1' ' A' ' 129' ' ' THR . 1.9 tp -70.89 -34.02 71.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -67.96 -44.77 75.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.32 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.06 -42.68 93.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 111.004 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.575 HG23 ' CD2' ' A' ' 109' ' ' PHE . 2.6 p -55.85 -28.66 57.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.401 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -44.79 -52.01 8.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.533 ' O ' ' CG ' ' A' ' 135' ' ' LEU . 12.7 mttt -107.04 45.32 0.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . 0.543 ' N ' ' CD ' ' A' ' 133' ' ' PRO . . . -63.79 -49.92 73.59 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' PRO . . . . . 0.543 ' CD ' ' N ' ' A' ' 132' ' ' ALA . 18.2 Cg_endo -75.03 -26.52 10.79 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.48 1.779 . . . . 0.0 110.991 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 61.6 mm-40 -79.69 -49.76 11.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.238 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.585 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 6.7 mt -48.3 -42.16 30.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' HIS . . . . . 0.616 ' CD2' ' CE1' ' A' ' 140' ' ' TYR . 18.9 t-80 -67.57 -43.5 80.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.66 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . 0.407 ' O ' ' HB3' ' A' ' 141' ' ' LYS . . . -61.86 -52.44 64.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.469 ' CG ' ' HA ' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -68.66 -32.72 72.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.313 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.585 ' CB ' ' O ' ' A' ' 135' ' ' LEU . . . -63.61 -39.39 94.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.34 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' TYR . . . . . 0.616 ' CE1' ' CD2' ' A' ' 136' ' ' HIS . 4.2 m-85 -88.25 -37.18 16.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 111.031 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . 0.407 ' HB3' ' O ' ' A' ' 137' ' ' ALA . 2.9 tttp -65.77 -48.34 72.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 109.261 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.325 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.44 ' CG ' ' CE2' ' A' ' 13' ' ' PHE . 7.2 ttm180 . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.634 ' CD1' ' CG ' ' A' ' 47' ' ' PHE . 5.5 mt -62.42 -47.0 95.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.357 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.2 mt -54.16 -31.54 52.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.442 ' HG ' ' N ' ' A' ' 13' ' ' PHE . 0.1 OUTLIER -74.45 -43.1 57.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.537 ' CD1' HG23 ' A' ' 40' ' ' VAL . 5.4 m-85 -63.88 -33.85 76.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 110.978 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -62.11 -52.84 62.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.314 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.46 ' HG3' ' N ' ' A' ' 16' ' ' ILE . 1.0 OUTLIER -57.57 -29.26 64.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.297 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.46 ' N ' ' HG3' ' A' ' 15' ' ' GLN . 37.5 mt -71.32 -53.03 22.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.5 ' O ' ' CB ' ' A' ' 21' ' ' GLU . 0.1 OUTLIER -55.89 -38.8 70.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -67.23 -47.44 70.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.406 ' O ' ' OG1' ' A' ' 23' ' ' THR . 0.3 OUTLIER -68.89 -43.24 75.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.327 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.95 -57.5 6.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.566 ' HG3' ' CZ2' ' A' ' 37' ' ' TRP . 14.3 tt0 -50.96 -37.47 44.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.291 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.401 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 37.4 t30 -75.47 -43.82 47.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.436 1.085 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' A' ' 19' ' ' ASP . 20.8 m -53.64 -23.0 9.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.38 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -52.7 -61.58 2.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.972 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 22' ' ' ASN . 0.0 OUTLIER -60.43 -29.71 69.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.62 -24.32 62.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.046 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.485 ' C ' ' H ' ' A' ' 29' ' ' LEU . 7.0 t-20 -169.6 84.56 0.61 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 23.28 0.4 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.508 1.794 . . . . 0.0 111.007 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.498 ' O ' ' CG2' ' A' ' 70' ' ' ILE . 8.7 mt -132.35 8.19 4.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.478 ' CG ' ' O ' ' A' ' 27' ' ' ASN . 17.6 p30 -90.74 99.44 12.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.344 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.15 -30.71 69.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.338 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -61.44 -49.65 75.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.445 ' O ' ' N ' ' A' ' 37' ' ' TRP . 26.5 t30 -68.28 -47.08 68.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.143 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.07 -51.31 54.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 54.4 m -59.32 -41.29 88.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.359 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.53 -33.17 70.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.304 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.652 ' CH2' ' NZ ' ' A' ' 63' ' ' LYS . 13.9 t90 -67.46 -27.25 66.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 108.014 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.483 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -84.17 -55.7 2.71 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.485 1.116 . . . . 0.0 111.004 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -38.87 -46.14 2.23 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.537 HG23 ' CD1' ' A' ' 13' ' ' PHE . 3.5 p -67.4 -47.5 80.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.484 0.755 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.478 HD13 ' CG ' ' A' ' 59' ' ' GLU . 12.6 mt -48.37 -43.9 34.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.11 . . . . 0.0 109.282 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 17.1 mt -64.25 -38.32 90.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.524 ' HG3' ' CZ ' ' A' ' 13' ' ' PHE . 38.0 mm-40 -65.78 -60.67 2.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.447 ' CD2' HG22 ' A' ' 10' ' ' ILE . 6.7 mt -62.2 -24.83 67.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.86 -44.15 70.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.978 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.476 ' CG ' ' N ' ' A' ' 47' ' ' PHE . 3.1 pt20 -67.69 -45.15 75.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.634 ' CG ' ' CD1' ' A' ' 10' ' ' ILE . 26.0 t80 -63.62 -22.47 66.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.994 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 46.2 m-70 -97.46 144.53 27.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.617 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -42.5 155.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.018 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.426 HG23 ' CD ' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -54.67 -48.67 71.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 109.298 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.42 ' N ' HG22 ' A' ' 50' ' ' ILE . 22.6 t -44.67 -56.46 4.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.995 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.8 -37.42 70.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -47.91 -54.48 12.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.426 ' CD ' HG23 ' A' ' 50' ' ' ILE . 18.7 mtpt -57.73 -50.78 72.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 52.7 mm-40 -55.17 -41.62 72.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.137 . . . . 0.0 110.332 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.434 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 60.3 mtp -70.44 -31.98 69.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.959 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.473 ' CG2' ' HB2' ' A' ' 88' ' ' PHE . 11.6 mt -73.03 -52.64 21.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -46.69 -54.66 9.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.31 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.515 ' HA ' ' CG2' ' A' ' 62' ' ' THR . 8.6 pt-20 -60.63 -37.66 82.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.459 ' N ' ' HG3' ' A' ' 59' ' ' GLU . . . -60.54 -39.92 89.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.421 HG23 ' N ' ' A' ' 62' ' ' THR . 0.3 OUTLIER -62.7 -63.04 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.515 ' CG2' ' HA ' ' A' ' 59' ' ' GLU . 1.4 t -48.97 -25.77 2.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 110.393 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.652 ' NZ ' ' CH2' ' A' ' 37' ' ' TRP . 11.2 mttm -70.62 -51.63 26.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.551 ' CZ ' ' HB3' ' A' ' 80' ' ' CYS . 22.6 m-85 -56.32 -33.6 65.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 111.01 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -57.73 -55.46 34.61 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.128 . . . . 0.0 110.304 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -56.21 -38.55 71.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 110.277 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.92 -43.87 97.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.47 HD21 ' CG2' ' A' ' 78' ' ' VAL . 28.0 mt -60.39 -31.29 70.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.87 -31.46 70.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.498 ' CG2' ' O ' ' A' ' 29' ' ' LEU . 5.9 mt -76.07 -41.62 38.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -154.73 114.28 2.4 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.135 . . . . 0.0 109.264 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -5.79 17.24 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.504 1.792 . . . . 0.0 111.021 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 75' ' ' ASP . 7.3 mmtm -82.73 -7.02 59.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.82 69.63 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.3 OUTLIER -51.97 -33.34 37.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.502 ' HG3' ' CE3' ' A' ' 79' ' ' TRP . 41.5 tt0 -65.19 -46.1 82.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.254 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.31 -32.44 56.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.326 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.47 ' CG2' HD21 ' A' ' 68' ' ' LEU . 29.0 t -74.53 -53.71 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.502 ' CE3' ' HG3' ' A' ' 76' ' ' GLU . 0.6 OUTLIER -58.17 -44.29 87.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 108.029 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.551 ' HB3' ' CZ ' ' A' ' 64' ' ' PHE . 0.7 OUTLIER -50.42 -51.76 43.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 108.284 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.571 HG22 ' CZ ' ' A' ' 108' ' ' PHE . 74.3 mt -52.04 -48.51 41.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -61.88 -43.21 99.51 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.455 1.097 . . . . 0.0 110.947 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -63.27 -40.61 97.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 0.771 . . . . 0.0 109.357 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.403 ' CB ' HD11 ' A' ' 61' ' ' ILE . . . -66.52 -52.55 44.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 109.33 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.615 ' CE2' HD12 ' A' ' 104' ' ' LEU . 3.1 m-85 -56.82 -43.4 81.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 18.1 m -58.01 -54.04 51.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.376 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 38.8 m -59.07 -51.19 71.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.972 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.473 ' HB2' ' CG2' ' A' ' 57' ' ' ILE . 27.3 t80 -54.39 -33.28 58.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.564 1.165 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.528 ' HB3' ' CE2' ' A' ' 102' ' ' PHE . . . -64.01 -45.88 86.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.419 ' CE2' ' CZ ' ' A' ' 102' ' ' PHE . 37.0 m-85 -61.83 -17.66 57.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 110.992 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 36.9 mt -93.96 -18.77 21.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.43 ' O ' ' NE2' ' A' ' 136' ' ' HIS . 0.8 OUTLIER -95.07 120.66 63.95 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 110.417 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.573 ' HA ' ' CE2' ' A' ' 140' ' ' TYR . 18.6 Cg_endo -74.92 -27.61 10.02 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.534 1.807 . . . . 0.0 111.071 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.93 93.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -43.06 -47.51 5.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.6 m -52.61 -56.58 14.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.117 . . . . 0.0 110.425 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -65.83 -48.8 70.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 110.267 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.652 ' CB ' ' CE1' ' A' ' 136' ' ' HIS . . . -53.25 -52.95 57.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.91 -55.98 27.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.171 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.537 ' CD2' ' C ' ' A' ' 100' ' ' HIS . 0.2 OUTLIER -49.03 -40.7 32.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.563 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -64.17 -53.89 42.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.575 ' CE2' ' HB2' ' A' ' 136' ' ' HIS . 11.3 m-85 -56.5 -44.47 80.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 110.972 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -74.77 -24.84 58.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.615 HD12 ' CE2' ' A' ' 85' ' ' TYR . 0.4 OUTLIER -76.93 -38.28 53.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.82 -23.13 66.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.332 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.5 m -65.09 -53.53 44.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.38 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.438 ' CG ' ' O ' ' A' ' 104' ' ' LEU . 1.0 OUTLIER -49.67 -25.71 3.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.278 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.571 ' CZ ' HG22 ' A' ' 81' ' ' ILE . 4.9 m-85 -82.65 -48.11 11.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 110.981 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.464 ' CD2' ' CG2' ' A' ' 129' ' ' THR . 14.7 m-85 -54.73 -33.08 60.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 111.031 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -60.68 -29.03 69.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 0.0 110.306 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.46 ' HB2' ' CG1' ' A' ' 78' ' ' VAL . 28.0 mt-30 -80.49 -40.57 25.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.283 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -52.93 -51.92 59.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.258 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 117' ' ' PRO . 6.2 m -68.53 -36.19 73.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -46.3 -51.01 15.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.268 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -65.25 -39.93 93.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 110.317 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.454 ' CG ' ' O ' ' A' ' 116' ' ' GLN . 1.5 tt0 -160.28 92.14 1.67 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.334 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.457 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.4 Cg_endo -74.95 -4.25 15.12 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.509 1.794 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -87.72 5.5 39.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -83.8 120.31 25.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 70.3 p -55.96 -50.95 69.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.419 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . 0.428 ' CD2' ' H ' ' A' ' 121' ' ' HIS . 12.4 m-70 -49.95 -58.0 6.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.649 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.448 ' HB3' ' CG1' ' A' ' 113' ' ' VAL . 10.1 m-30 -53.8 -37.2 63.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.55 ' C ' ' CD2' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -60.35 -44.82 95.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.421 ' N ' HD12 ' A' ' 123' ' ' LEU . 0.1 OUTLIER -63.76 -39.36 94.09 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.491 1.119 . . . . 0.0 109.25 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' SER . . . . . 0.408 ' O ' ' CG2' ' A' ' 129' ' ' THR . 1.1 m -55.66 -46.67 77.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.989 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 3.0 tp -69.19 -34.61 75.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.347 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -68.08 -41.94 81.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 110.33 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 12.3 mmm -62.62 -48.91 77.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.464 ' CG2' ' CD2' ' A' ' 109' ' ' PHE . 81.5 p -53.64 -24.91 15.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 110.414 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -43.85 -40.74 4.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.442 ' O ' ' CG ' ' A' ' 135' ' ' LEU . 0.8 OUTLIER -122.4 47.84 1.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.312 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . 0.573 ' N ' ' CD ' ' A' ' 133' ' ' PRO . . . -64.78 -48.41 72.91 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' PRO . . . . . 0.573 ' CD ' ' N ' ' A' ' 132' ' ' ALA . 18.1 Cg_endo -75.04 -28.04 9.45 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.5 1.79 . . . . 0.0 110.969 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . 0.439 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 2.9 mt-30 -80.26 -45.74 17.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.255 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.553 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 24.5 mt -54.37 -38.65 66.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' HIS . . . . . 0.652 ' CE1' ' CB ' ' A' ' 98' ' ' ALA . 35.9 t-80 -67.9 -44.36 77.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.138 . . . . 0.0 109.563 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . 0.523 ' O ' ' CB ' ' A' ' 141' ' ' LYS . . . -61.85 -53.05 61.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.49 ' CG ' ' HA ' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -68.72 -27.33 65.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.287 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.553 ' CB ' ' O ' ' A' ' 135' ' ' LEU . . . -60.56 -49.83 75.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' TYR . . . . . 0.573 ' CE2' ' HA ' ' A' ' 93' ' ' PRO . 6.3 m-85 -88.37 -42.78 11.97 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.118 . . . . 0.0 110.976 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . 0.523 ' CB ' ' O ' ' A' ' 137' ' ' ALA . 11.4 ttpt -55.66 -47.95 75.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 179.995 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.513 ' CG ' ' CE2' ' A' ' 13' ' ' PHE . 9.2 ttm180 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.445 HD13 ' CG ' ' A' ' 47' ' ' PHE . 52.2 mt -57.55 -48.29 83.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.9 mt -55.21 -41.54 72.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.345 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.457 ' O ' ' CG ' ' A' ' 15' ' ' GLN . 0.1 OUTLIER -57.99 -50.61 72.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.513 ' CE2' ' CG ' ' A' ' 9' ' ' ARG . 12.5 m-85 -63.94 -37.94 89.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -53.0 -53.0 56.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.457 ' CG ' ' O ' ' A' ' 12' ' ' LEU . 1.1 pt20 -62.38 -28.13 69.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 110.29 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.501 ' O ' ' CB ' ' A' ' 20' ' ' ALA . 70.6 mt -71.37 -49.47 47.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.57 1.169 . . . . 0.0 109.272 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.5 ttp180 -60.92 -34.04 74.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.343 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -69.04 -54.44 15.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.289 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 23' ' ' THR . 0.1 OUTLIER -69.23 -29.65 67.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 16' ' ' ILE . . . -73.63 -45.81 50.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.585 ' HG3' ' CZ2' ' A' ' 37' ' ' TRP . 16.3 tt0 -66.64 -44.7 81.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.476 ' OD1' ' O ' ' A' ' 19' ' ' ASP . 0.2 OUTLIER -67.83 -36.72 80.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.493 ' CB ' ' O ' ' A' ' 19' ' ' ASP . 1.4 m -60.84 -24.7 66.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.393 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.414 ' CD1' ' HZ3' ' A' ' 37' ' ' TRP . 6.8 t80 -51.37 -60.3 3.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.19 -26.97 68.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.1 -26.24 60.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.992 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -169.38 85.29 0.62 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 -11.23 21.31 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.521 1.801 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.509 ' O ' ' CG2' ' A' ' 70' ' ' ILE . 11.5 mt -88.87 -22.06 23.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -64.75 99.53 0.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.271 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.07 -27.41 64.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -64.56 -52.16 59.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.573 1.17 . . . . 0.0 109.259 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -65.3 -40.2 93.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.478 ' CD2' ' O ' ' A' ' 63' ' ' LYS . 0.3 OUTLIER -59.4 -52.48 65.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.468 ' CG2' ' HG2' ' A' ' 76' ' ' GLU . 82.0 m -59.62 -37.88 79.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.396 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.34 -32.32 69.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 110.33 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.672 ' CZ2' ' NZ ' ' A' ' 63' ' ' LYS . 12.3 t90 -65.91 -27.48 68.23 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.452 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -84.68 -54.12 3.02 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.509 1.131 . . . . 0.0 111.034 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -40.46 -44.66 3.2 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.474 ' CG1' ' N ' ' A' ' 41' ' ' LEU . 0.6 OUTLIER -67.4 -47.89 79.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 0.777 . . . . 0.0 109.264 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.474 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 14.1 mt -48.32 -43.82 33.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.437 HD22 ' CB ' ' A' ' 60' ' ' ALA . 15.9 mt -65.44 -36.74 84.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.355 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.47 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 19.4 mm-40 -65.11 -59.23 4.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 75.7 mt -61.97 -25.63 67.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 109.311 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.47 -36.89 74.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.008 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.467 ' HG2' ' N ' ' A' ' 47' ' ' PHE . 3.0 pt20 -66.46 -34.34 77.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 110.263 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.578 ' CZ ' ' CE1' ' A' ' 48' ' ' HIS . 0.0 OUTLIER -80.48 -36.32 33.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 111.082 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.578 ' CE1' ' CZ ' ' A' ' 47' ' ' PHE . 1.0 OUTLIER -78.81 135.95 37.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.584 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 46.0 m -41.0 148.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.001 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.474 ' CD1' HD21 ' A' ' 91' ' ' LEU . 1.0 OUTLIER -48.99 -43.96 15.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.304 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.439 ' N ' HG22 ' A' ' 50' ' ' ILE . 10.9 t -46.65 -56.42 6.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.993 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.69 -36.39 62.74 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -49.1 -54.46 16.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.4 mtpt -51.73 -53.01 44.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -55.14 -46.11 75.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.286 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 93.3 mtp -62.02 -32.33 72.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 111.006 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.469 ' CD1' HD11 ' A' ' 91' ' ' LEU . 34.9 mt -72.76 -52.28 23.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -45.75 -51.1 13.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.248 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.451 ' HG2' ' N ' ' A' ' 60' ' ' ALA . 3.1 pt-20 -66.44 -37.58 85.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 110.296 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.451 ' N ' ' HG2' ' A' ' 59' ' ' GLU . . . -59.39 -28.32 66.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.516 ' CD1' ' HB2' ' A' ' 84' ' ' ALA . 0.7 OUTLIER -69.89 -44.91 78.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.449 ' OG1' ' O ' ' A' ' 59' ' ' GLU . 27.9 p -60.74 -32.48 71.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.394 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.672 ' NZ ' ' CZ2' ' A' ' 37' ' ' TRP . 10.4 mmtp -60.79 -52.61 64.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.508 ' CZ ' ' HB3' ' A' ' 80' ' ' CYS . 9.6 m-85 -62.5 -36.4 82.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 110.977 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -48.64 -55.12 12.15 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.486 1.116 . . . . 0.0 110.318 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.449 ' HB3' ' CD1' ' A' ' 34' ' ' LEU . 23.8 tp10 -66.53 -43.3 85.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 0.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -54.31 -45.42 72.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.12 . . . . 0.0 109.326 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.479 HD12 ' CD1' ' A' ' 81' ' ' ILE . 6.9 mt -64.45 -28.36 69.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.9 -31.41 68.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.509 ' CG2' ' O ' ' A' ' 29' ' ' LEU . 4.6 mt -78.75 -42.7 25.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -143.94 110.05 5.13 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -18.06 19.18 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.5 1.79 . . . . 0.0 111.04 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.18 2.59 34.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -69.62 79.54 0.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.27 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.87 -32.53 32.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.498 ' HG3' ' CE3' ' A' ' 79' ' ' TRP . 17.9 tt0 -66.5 -51.73 53.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.315 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.411 ' CB ' ' HG ' ' A' ' 68' ' ' LEU . . . -52.59 -32.84 43.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.411 ' CG1' ' HB2' ' A' ' 111' ' ' GLN . 16.9 t -74.69 -53.55 16.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.092 . . . . 0.0 109.257 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.513 ' CZ3' ' SG ' ' A' ' 80' ' ' CYS . 0.4 OUTLIER -57.86 -46.32 84.99 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.513 ' SG ' ' CZ3' ' A' ' 79' ' ' TRP . 0.5 OUTLIER -50.41 -55.27 16.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 108.287 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.479 ' CD1' HD12 ' A' ' 68' ' ' LEU . 72.5 mt -52.04 -41.13 31.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.48 ' CA ' ' HB2' ' A' ' 105' ' ' ALA . . . -68.75 -44.65 69.07 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.451 1.094 . . . . 0.0 110.97 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -63.66 -32.0 73.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 0.739 . . . . 0.0 109.263 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.516 ' HB2' ' CD1' ' A' ' 61' ' ' ILE . . . -67.97 -55.16 13.72 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.602 ' CD1' ' ND2' ' A' ' 101' ' ' ASN . 10.8 m-85 -59.29 -48.57 81.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.994 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 96.1 m -54.69 -47.09 74.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 110.432 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.2 t -67.01 -50.98 60.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.996 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -54.09 -34.69 60.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.485 ' HB2' ' CA ' ' A' ' 98' ' ' ALA . . . -58.96 -48.91 79.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.406 ' O ' ' OH ' ' A' ' 140' ' ' TYR . 38.6 m-85 -57.89 -23.19 52.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 111.03 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.489 ' O ' ' HD3' ' A' ' 93' ' ' PRO . 5.3 mt -94.63 -3.02 50.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.249 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.42 ' N ' ' OH ' ' A' ' 140' ' ' TYR . 1.5 m -98.5 105.89 32.74 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 110.441 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.553 ' HA ' ' CE2' ' A' ' 140' ' ' TYR . 18.3 Cg_endo -74.96 -13.44 21.5 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.492 1.785 . . . . 0.0 111.011 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.631 ' O ' ' CB ' ' A' ' 95' ' ' GLU . 0.1 OUTLIER -58.69 -49.65 76.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.1 . . . . 0.0 109.267 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.631 ' CB ' ' O ' ' A' ' 94' ' ' ASP . 2.0 mm-40 97.42 -55.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.299 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.37 -38.92 78.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.413 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -75.86 -35.18 59.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.336 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.568 ' HB2' ' CD2' ' A' ' 136' ' ' HIS . . . -69.94 -52.53 23.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.54 -49.88 73.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.508 ' CD2' ' C ' ' A' ' 100' ' ' HIS . 0.3 OUTLIER -56.13 -44.11 78.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.594 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . 0.602 ' ND2' ' CD1' ' A' ' 85' ' ' TYR . 2.9 m120 -66.54 -47.81 71.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.143 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.485 ' CE2' ' HB2' ' A' ' 136' ' ' HIS . 2.0 m-85 -51.08 -45.52 61.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -73.6 -20.18 60.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.411 ' O ' ' CG ' ' A' ' 107' ' ' GLN . 0.1 OUTLIER -76.03 -46.05 31.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.48 ' HB2' ' CA ' ' A' ' 82' ' ' GLY . . . -61.54 -24.57 66.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.54 ' HA ' ' CD2' ' A' ' 109' ' ' PHE . 2.6 m -63.63 -55.07 26.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.406 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.416 ' HG3' ' N ' ' A' ' 108' ' ' PHE . 1.7 pt20 -54.97 -23.92 21.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 110.311 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.418 ' CZ ' HG23 ' A' ' 81' ' ' ILE . 15.0 m-85 -82.93 -44.02 15.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 110.989 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.54 ' CD2' ' HA ' ' A' ' 106' ' ' THR . 19.1 m-30 -54.5 -32.72 58.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 111.062 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.87 -30.4 70.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.297 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.411 ' HB2' ' CG1' ' A' ' 78' ' ' VAL . 39.5 mt-30 -81.22 -41.16 22.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.098 . . . . 0.0 110.315 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.5 ' O ' ' CD2' ' A' ' 122' ' ' TYR . . . -61.66 -52.8 62.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.252 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.477 ' O ' ' N ' ' A' ' 117' ' ' PRO . 4.1 m -63.64 -35.48 72.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.42 -45.92 9.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -75.1 -44.17 48.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.342 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -139.2 83.51 17.71 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.477 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.4 Cg_endo -74.94 -9.25 20.77 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.513 1.796 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -96.73 -11.87 24.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -68.36 116.29 8.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' THR . . . . . 0.44 ' O ' HD11 ' A' ' 123' ' ' LEU . 2.0 t -52.81 -39.8 62.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.414 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -58.44 -45.57 88.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.54 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.5 ' CD2' ' O ' ' A' ' 112' ' ' ALA . 12.0 m-30 -77.52 -24.09 50.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 111.014 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.527 ' C ' ' CD2' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -77.43 -50.41 12.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 109.268 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.496 ' N ' ' CD1' ' A' ' 123' ' ' LEU . 0.1 OUTLIER -59.32 -43.78 92.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.54 -42.29 87.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.969 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.452 ' O ' ' OG1' ' A' ' 129' ' ' THR . 13.6 tp -72.9 -56.36 5.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -55.23 -29.53 58.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 110.272 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' MET . . . . . 0.402 ' N ' ' O ' ' A' ' 124' ' ' LYS . 8.8 mmm -59.16 -31.81 69.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.452 ' OG1' ' O ' ' A' ' 126' ' ' LEU . 28.0 p -62.99 -28.53 70.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.342 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 129' ' ' THR . . . -39.62 -43.24 1.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.266 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.41 ' O ' ' CB ' ' A' ' 135' ' ' LEU . 0.7 OUTLIER -122.03 48.14 1.77 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 109.336 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . 0.557 ' N ' ' CD ' ' A' ' 133' ' ' PRO . . . -65.1 -49.58 65.84 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' PRO . . . . . 0.557 ' CD ' ' N ' ' A' ' 132' ' ' ALA . 18.3 Cg_endo -74.97 -26.67 10.76 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.5 1.789 . . . . 0.0 110.964 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . 0.458 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 64.6 mm-40 -80.47 -48.32 12.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.302 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.545 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 35.5 mt -51.63 -41.07 61.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' HIS . . . . . 0.568 ' CD2' ' HB2' ' A' ' 98' ' ' ALA . 60.0 t-80 -66.85 -44.91 79.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.088 . . . . 0.0 109.56 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . 0.528 ' O ' ' CB ' ' A' ' 141' ' ' LYS . . . -61.88 -53.0 61.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.138 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.495 ' CG ' ' HA ' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -68.96 -26.97 65.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.264 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.545 ' CB ' ' O ' ' A' ' 135' ' ' LEU . . . -58.95 -51.33 70.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' TYR . . . . . 0.553 ' CE2' ' HA ' ' A' ' 93' ' ' PRO . 7.5 m-85 -88.3 -41.98 12.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 111.044 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . 0.528 ' CB ' ' O ' ' A' ' 137' ' ' ALA . 8.3 ttpp -55.4 -47.23 76.21 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.459 1.1 . . . . 0.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 110.288 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.3 ttm180 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.457 HG22 ' CD2' ' A' ' 44' ' ' LEU . 30.3 mt -61.81 -38.46 80.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.6 mt -57.95 -41.69 83.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.336 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.491 ' CD1' ' CD1' ' A' ' 16' ' ' ILE . 0.2 OUTLIER -59.53 -50.54 73.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.347 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.432 ' N ' ' HG ' ' A' ' 12' ' ' LEU . 15.3 m-85 -63.73 -35.58 81.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.127 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -61.18 -57.69 11.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.163 . . . . 0.0 110.273 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.444 ' CG ' ' O ' ' A' ' 12' ' ' LEU . 7.2 pt20 -52.68 -31.63 38.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.327 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.491 ' CD1' ' CD1' ' A' ' 12' ' ' LEU . 5.2 mt -71.26 -50.59 40.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -52.45 -56.29 16.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 110.279 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.431 ' HG3' ' N ' ' A' ' 19' ' ' ASP . 5.4 pt20 -53.81 -45.11 70.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.287 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.431 ' N ' ' HG3' ' A' ' 18' ' ' GLN . 0.3 OUTLIER -62.34 -38.52 89.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.579 ' CB ' ' CG ' ' A' ' 37' ' ' TRP . . . -56.99 -45.78 82.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.651 ' HG2' ' CZ2' ' A' ' 37' ' ' TRP . 3.2 mt-10 -62.0 -41.86 98.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.12 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.455 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 1.1 m120 -69.29 -47.85 63.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.519 ' CG2' ' CG ' ' A' ' 33' ' ' ASN . 4.3 m -60.56 -21.41 62.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.441 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.411 ' CD1' ' HZ3' ' A' ' 37' ' ' TRP . 5.5 t80 -65.46 -62.3 1.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.955 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 22' ' ' ASN . 0.4 OUTLIER -64.14 -24.34 67.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.08 -25.38 29.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.017 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' A' ' 23' ' ' THR . 14.8 m120 -169.61 82.55 0.63 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.402 ' N ' ' O ' ' A' ' 24' ' ' TYR . 18.4 Cg_endo -74.98 -13.03 21.57 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.464 1.77 . . . . 0.0 111.033 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.452 ' O ' ' CG2' ' A' ' 70' ' ' ILE . 11.3 mt -82.47 -18.32 42.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.24 99.48 0.39 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.41 ' O ' ' CB ' ' A' ' 35' ' ' THR . . . -74.03 -22.26 59.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.102 . . . . 0.0 109.282 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -69.23 -55.01 11.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.16 . . . . 0.0 109.319 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.519 ' CG ' ' CG2' ' A' ' 23' ' ' THR . 1.7 t30 -69.62 -34.96 74.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.474 ' CD1' ' HG3' ' A' ' 63' ' ' LYS . 1.3 tp -66.89 -41.14 87.7 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.41 ' CB ' ' O ' ' A' ' 31' ' ' ALA . 4.7 m -69.0 -53.58 19.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.377 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.468 ' CD ' HG21 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -57.87 -19.11 26.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 110.274 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.651 ' CZ2' ' HG2' ' A' ' 21' ' ' GLU . 6.9 t90 -67.48 -27.53 67.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 107.995 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.599 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -82.57 -56.53 2.78 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.485 1.116 . . . . 0.0 110.964 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -42.44 -45.71 5.45 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.43 HG23 ' CD1' ' A' ' 13' ' ' PHE . 5.5 p -67.36 -37.61 79.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.492 0.76 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 38' ' ' GLY . 10.1 mt -60.94 -41.49 96.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.309 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.1 mt -65.51 -35.94 82.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -65.19 -58.14 6.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.271 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.457 ' CD2' HG22 ' A' ' 10' ' ' ILE . 88.0 mt -61.84 -25.11 67.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.45 -36.45 71.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.997 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.444 ' HG2' ' N ' ' A' ' 47' ' ' PHE . 4.4 pt20 -66.66 -35.06 79.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.133 . . . . 0.0 110.347 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.685 ' CE2' ' CD2' ' A' ' 48' ' ' HIS . 0.0 OUTLIER -80.46 -35.05 35.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 111.035 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.685 ' CD2' ' CE2' ' A' ' 47' ' ' PHE . 2.6 m-70 -80.37 141.52 35.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.594 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 59.6 m -48.62 160.58 0.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.97 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.503 ' CG1' HD22 ' A' ' 91' ' ' LEU . 0.2 OUTLIER -57.54 -48.62 82.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.408 ' N ' HG21 ' A' ' 50' ' ' ILE . 56.0 p -44.36 -52.35 7.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 110.021 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -75.85 -38.33 58.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -47.2 -54.57 10.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.461 ' CD ' HG22 ' A' ' 50' ' ' ILE . 0.4 OUTLIER -52.6 -58.28 7.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.32 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 58.7 mm-40 -52.78 -41.97 64.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.291 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 87.7 mtp -66.82 -34.33 77.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 111.008 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.459 ' CG2' ' HB2' ' A' ' 88' ' ' PHE . 32.4 mt -72.48 -45.73 58.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -49.32 -54.37 17.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.347 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.422 ' HG2' ' N ' ' A' ' 60' ' ' ALA . 4.7 pt-20 -65.07 -34.19 77.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.336 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.422 ' N ' ' HG2' ' A' ' 59' ' ' GLU . . . -59.54 -31.55 69.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.509 HG12 ' CE1' ' A' ' 85' ' ' TYR . 0.5 OUTLIER -76.31 -58.01 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 58.8 p -50.06 -25.4 3.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.407 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.474 ' HG3' ' CD1' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -71.34 -50.87 27.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.326 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.602 ' CZ ' ' SG ' ' A' ' 80' ' ' CYS . 23.5 m-85 -57.89 -43.31 85.99 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.58 -56.42 8.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 110.265 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.93 -38.03 81.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 110.308 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.473 ' CB ' ' HG ' ' A' ' 34' ' ' LEU . . . -65.85 -39.39 90.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.469 HD13 ' CD1' ' A' ' 81' ' ' ILE . 7.3 mt -63.81 -28.69 70.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.06 -33.57 74.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.452 ' CG2' ' O ' ' A' ' 29' ' ' LEU . 5.0 mt -73.35 -43.49 56.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -146.79 105.88 3.96 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.339 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -13.01 21.66 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.468 1.773 . . . . 0.0 111.017 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.0 ptmt -84.09 0.61 47.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.39 80.21 1.89 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.423 ' N ' ' OD1' ' A' ' 75' ' ' ASP . 0.3 OUTLIER -54.29 -23.62 15.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.324 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 52.3 tt0 -69.47 -52.75 23.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.09 . . . . 0.0 110.269 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.34 -31.86 35.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 24.4 t -74.65 -52.92 18.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.26 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.524 ' CZ2' ' ND2' ' A' ' 83' ' ' ASN . 0.4 OUTLIER -59.08 -46.54 88.03 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.602 ' SG ' ' CZ ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -50.54 -52.88 34.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 108.362 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.617 ' CG2' ' CE2' ' A' ' 85' ' ' TYR . 58.9 mt -51.99 -41.76 32.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.468 ' CA ' ' HB1' ' A' ' 105' ' ' ALA . . . -67.51 -41.41 90.34 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.502 1.126 . . . . 0.0 110.984 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.524 ' ND2' ' CZ2' ' A' ' 79' ' ' TRP . 7.4 m-20 -64.5 -35.76 81.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 0.759 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.449 ' HB2' ' CD1' ' A' ' 61' ' ' ILE . . . -65.43 -55.62 16.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.617 ' CE2' ' CG2' ' A' ' 81' ' ' ILE . 16.0 m-85 -58.14 -43.41 87.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 111.006 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 73.8 m -55.4 -47.62 75.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.417 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.407 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 36.5 m -66.95 -52.49 42.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 110.011 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.459 ' HB2' ' CG2' ' A' ' 57' ' ' ILE . 37.5 t80 -52.28 -32.32 36.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 111.032 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.453 ' HB2' ' CE2' ' A' ' 102' ' ' PHE . . . -64.07 -48.59 75.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.244 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -57.69 -17.23 13.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.503 HD22 ' CG1' ' A' ' 50' ' ' ILE . 7.0 mt -95.9 -21.22 18.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -96.89 117.58 65.73 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.358 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -27.04 10.33 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.473 1.775 . . . . 0.0 110.963 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -58.93 93.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -46.02 -45.93 16.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 110.332 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -51.55 -51.41 55.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.547 1.154 . . . . 0.0 110.4 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -73.87 -49.88 22.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.323 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -52.34 -53.83 39.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.339 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -51.15 70.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.559 ' CD2' ' C ' ' A' ' 100' ' ' HIS . 0.1 OUTLIER -49.3 -39.85 32.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.616 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -69.96 -54.32 13.83 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.469 ' CD1' ' HB3' ' A' ' 132' ' ' ALA . 6.1 m-85 -51.82 -39.74 59.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.7 -19.72 60.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.64 -48.58 21.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.555 ' HB3' ' CE2' ' A' ' 109' ' ' PHE . . . -56.35 -28.03 57.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 16.0 m -60.44 -56.57 19.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 110.396 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.41 ' HG3' ' N ' ' A' ' 108' ' ' PHE . 0.3 OUTLIER -57.26 -22.81 44.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.575 ' CZ ' HG21 ' A' ' 81' ' ' ILE . 7.0 m-85 -83.23 -48.95 9.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 110.999 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.555 ' CE2' ' HB3' ' A' ' 105' ' ' ALA . 20.6 m-85 -53.84 -32.38 52.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.969 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.1 -28.0 68.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -81.44 -43.06 19.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.589 1.18 . . . . 0.0 110.333 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -54.55 -55.37 29.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.294 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.475 ' O ' ' N ' ' A' ' 117' ' ' PRO . 16.7 m -63.27 -34.37 66.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -45.65 -52.05 11.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -63.36 -42.37 98.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 110.26 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.439 ' O ' ' CG ' ' A' ' 116' ' ' GLN . 3.1 tt0 -157.8 91.55 2.25 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.147 . . . . 0.0 110.351 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.475 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.3 Cg_endo -74.97 -3.86 14.55 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.505 1.792 . . . . 0.0 111.034 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -89.36 8.05 32.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -86.7 121.57 29.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 61.5 p -57.94 -50.98 71.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.117 . . . . 0.0 110.398 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . 0.433 ' CD2' ' H ' ' A' ' 121' ' ' HIS . 12.5 m-70 -49.85 -52.6 31.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.639 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 10.2 m-30 -60.64 -34.88 74.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.516 ' C ' ' CD2' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -60.41 -53.74 54.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.358 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.445 ' N ' ' CD1' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -55.02 -42.53 72.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.33 -37.21 72.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.03 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.1 tp -73.35 -41.97 62.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.27 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.06 -32.74 73.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.263 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.87 -28.54 64.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.472 ' HA ' ' CB ' ' A' ' 132' ' ' ALA . 18.0 p -68.54 -38.18 80.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.415 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 129' ' ' THR . . . -39.4 -39.91 0.74 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.402 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 16.3 mttt -131.15 38.24 3.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . 0.507 ' N ' ' CD ' ' A' ' 133' ' ' PRO . . . -60.84 -52.35 73.02 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 132' ' ' ALA . 18.3 Cg_endo -74.97 -21.55 15.8 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.465 1.771 . . . . 0.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . 0.435 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 49.8 mm-40 -80.27 -47.24 14.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.282 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.584 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 8.0 mt -48.27 -42.62 31.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' HIS . . . . . 0.549 ' NE2' ' CZ ' ' A' ' 140' ' ' TYR . 6.7 t-80 -67.35 -44.62 78.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.169 . . . . 0.0 109.576 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . 0.423 ' O ' ' HB3' ' A' ' 141' ' ' LYS . . . -61.86 -52.74 62.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.508 ' O ' ' CB ' ' A' ' 142' ' ' GLN . 0.0 OUTLIER -68.12 -26.65 65.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.287 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.584 ' CB ' ' O ' ' A' ' 135' ' ' LEU . . . -72.13 -35.58 69.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' TYR . . . . . 0.549 ' CZ ' ' NE2' ' A' ' 136' ' ' HIS . 3.7 m-85 -88.29 -43.82 11.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 111.016 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . 0.439 ' HG2' ' N ' ' A' ' 142' ' ' GLN . 0.0 OUTLIER -66.29 -43.73 85.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . 0.508 ' CB ' ' O ' ' A' ' 138' ' ' GLU . 8.4 tm0? . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.355 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.499 ' CG ' ' CE2' ' A' ' 13' ' ' PHE . 10.6 ttm180 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 68.3 mt -66.89 -44.58 88.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.7 mt -56.61 -40.37 75.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.431 1.082 . . . . 0.0 109.268 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.468 ' CD1' HD11 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -61.42 -49.16 77.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.337 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.551 ' CE2' ' HB3' ' A' ' 43' ' ' GLU . 12.2 m-85 -64.01 -36.68 84.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.943 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -56.48 -52.22 65.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 110.311 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.446 ' HG3' ' N ' ' A' ' 16' ' ' ILE . 3.6 pt20 -62.0 -27.57 68.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.468 HD11 ' CD1' ' A' ' 12' ' ' LEU . 69.6 mt -71.19 -53.31 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.259 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.484 ' O ' ' CB ' ' A' ' 21' ' ' GLU . 4.6 ttt180 -53.71 -39.69 65.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.292 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -66.41 -48.27 70.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.305 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.501 ' O ' ' CB ' ' A' ' 23' ' ' THR . 0.4 OUTLIER -66.57 -44.8 81.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.99 -55.57 16.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.574 ' HG3' ' CZ2' ' A' ' 37' ' ' TRP . 30.2 tt0 -54.18 -46.51 72.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.321 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 23.2 t30 -68.61 -45.56 71.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.501 ' CB ' ' O ' ' A' ' 19' ' ' ASP . 2.8 m -54.09 -27.42 32.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.402 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.4 ' CD1' ' HZ3' ' A' ' 37' ' ' TRP . 7.3 t80 -48.97 -59.79 3.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.7 -25.85 68.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.37 -42.35 68.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.968 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -159.03 91.13 1.98 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 0.85 8.43 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.509 1.794 . . . . 0.0 110.996 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.416 ' O ' ' CG2' ' A' ' 70' ' ' ILE . 10.2 mt -94.7 -21.04 19.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.48 ' O ' ' CB ' ' A' ' 34' ' ' LEU . 0.9 OUTLIER -64.64 99.33 0.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 109.302 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.423 ' HB2' ' CE ' ' A' ' 74' ' ' LYS . . . -70.31 -33.93 72.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -63.78 -55.52 22.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.298 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.413 ' CB ' HG23 ' A' ' 23' ' ' THR . 0.2 OUTLIER -67.96 -36.06 79.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.513 ' CD1' ' HG3' ' A' ' 63' ' ' LYS . 1.1 tp -64.22 -46.24 84.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.2 m -67.32 -43.62 81.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.38 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -59.92 -31.35 69.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.314 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.596 ' CZ2' ' HE2' ' A' ' 63' ' ' LYS . 14.7 t90 -63.22 -26.73 68.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 107.996 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.578 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -86.44 -55.24 2.5 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.48 1.112 . . . . 0.0 110.976 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -43.72 -41.6 5.75 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.467 ' CG1' ' N ' ' A' ' 41' ' ' LEU . 1.8 p -67.36 -48.22 78.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 0.765 . . . . 0.0 109.345 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.559 ' CD1' ' NZ ' ' A' ' 63' ' ' LYS . 25.3 mt -48.29 -43.51 32.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 17.6 mt -65.58 -39.39 91.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.364 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.551 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 12.1 mm-40 -60.6 -58.17 9.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.3 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 30.2 mt -61.53 -24.12 66.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 109.266 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.416 ' HA ' ' SD ' ' A' ' 56' ' ' MET . 2.7 t -53.29 -28.05 26.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.018 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -67.9 -40.16 83.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.329 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.606 ' CZ ' ' CE1' ' A' ' 48' ' ' HIS . 0.0 OUTLIER -80.69 -31.82 36.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 111.003 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.606 ' CE1' ' CZ ' ' A' ' 47' ' ' PHE . 5.1 m-70 -78.75 145.22 34.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.595 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 36.6 m -54.79 161.77 1.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.956 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.507 HG21 ' N ' ' A' ' 51' ' ' SER . 0.8 OUTLIER -61.71 -46.92 95.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.507 ' N ' HG21 ' A' ' 50' ' ' ILE . 16.7 p -47.68 -56.46 7.23 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.475 1.11 . . . . 0.0 109.973 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.43 -40.01 77.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.507 ' O ' ' CG1' ' A' ' 57' ' ' ILE . . . -46.37 -53.72 10.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.596 ' HB3' ' CE2' ' A' ' 88' ' ' PHE . 5.5 mtpt -59.51 -36.51 76.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -67.27 -56.36 10.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.29 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.453 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 24.3 ptm -64.43 -28.01 69.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.507 ' CG1' ' O ' ' A' ' 53' ' ' ALA . 27.2 mt -68.36 -40.57 82.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.422 ' CG ' ' O ' ' A' ' 54' ' ' LYS . 2.0 mt-30 -55.38 -55.14 35.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.291 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.568 ' HG2' ' N ' ' A' ' 60' ' ' ALA . 2.3 pt-20 -59.59 -33.93 72.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 110.315 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.568 ' N ' ' HG2' ' A' ' 59' ' ' GLU . . . -61.53 -30.86 70.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.43 ' CD1' ' HB3' ' A' ' 84' ' ' ALA . 0.5 OUTLIER -70.74 -62.25 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.468 HG22 ' O ' ' A' ' 59' ' ' GLU . 1.2 t -48.29 -35.43 12.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 110.462 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.596 ' HE2' ' CZ2' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -57.24 -47.6 80.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.578 ' CE1' ' HA3' ' A' ' 38' ' ' GLY . 18.9 m-85 -65.82 -37.58 86.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -48.95 -55.81 10.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 110.316 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.87 -40.96 95.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.308 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.487 ' CB ' ' HG ' ' A' ' 34' ' ' LEU . . . -59.41 -34.22 72.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.2 mt -69.2 -31.7 70.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.45 -34.89 79.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.416 ' CG2' ' O ' ' A' ' 29' ' ' LEU . 4.0 mt -73.18 -38.57 55.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -148.89 108.05 3.47 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -17.56 19.54 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.537 1.809 . . . . 0.0 111.021 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.9 ptpt -83.26 1.69 39.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.423 ' CE ' ' HB2' ' A' ' 31' ' ' ALA . 4.1 tppt? -68.31 76.63 0.26 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -52.44 -36.2 54.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.271 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 54.5 tt0 -64.07 -50.05 69.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.112 . . . . 0.0 110.25 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.89 -34.02 62.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 22.4 t -74.56 -53.23 17.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.505 ' CZ3' ' SG ' ' A' ' 80' ' ' CYS . 0.9 OUTLIER -57.97 -46.25 85.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 108.041 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.505 ' SG ' ' CZ3' ' A' ' 79' ' ' TRP . 0.8 OUTLIER -50.08 -53.13 29.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 108.302 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.564 HG21 ' CZ ' ' A' ' 108' ' ' PHE . 60.0 mt -51.9 -37.61 21.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.465 ' CA ' ' HB2' ' A' ' 105' ' ' ALA . . . -70.04 -41.28 71.51 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.418 ' OD1' ' NE1' ' A' ' 79' ' ' TRP . 3.0 m120 -64.53 -39.49 93.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 0.798 . . . . 0.0 109.287 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.43 ' HB3' ' CD1' ' A' ' 61' ' ' ILE . . . -64.03 -52.79 57.8 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.493 1.121 . . . . 0.0 109.326 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.543 ' CE2' HG23 ' A' ' 81' ' ' ILE . 6.1 m-85 -60.18 -50.53 73.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 53.4 m -54.99 -46.55 75.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 110.442 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.2 m -67.08 -52.06 46.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.018 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.596 ' CE2' ' HB3' ' A' ' 54' ' ' LYS . 36.0 t80 -53.38 -31.37 44.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.15 . . . . 0.0 110.995 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.02 -52.15 60.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.29 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -53.87 -22.4 9.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.992 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.502 ' CD2' HG13 ' A' ' 50' ' ' ILE . 9.5 mt -89.58 -28.96 19.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.255 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.45 ' O ' ' NE2' ' A' ' 136' ' ' HIS . 0.9 OUTLIER -86.17 121.31 72.71 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.39 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.555 ' HA ' ' CE2' ' A' ' 140' ' ' TYR . 18.3 Cg_endo -75.0 -27.58 9.89 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.516 1.798 . . . . 0.0 110.962 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -59.95 99.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 -50.96 -47.5 61.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 110.26 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.9 t -52.43 -44.86 65.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 110.334 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -75.55 -51.29 13.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.321 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.545 ' HB1' ' CD2' ' A' ' 136' ' ' HIS . . . -53.37 -52.95 57.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.62 -53.57 56.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.471 ' CD2' ' C ' ' A' ' 100' ' ' HIS . 0.8 OUTLIER -50.58 -39.56 50.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.612 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -65.73 -56.14 13.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.456 ' HB3' ' CB ' ' A' ' 132' ' ' ALA . 9.8 m-85 -51.87 -38.9 57.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.128 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -74.55 -20.07 60.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -77.46 -52.03 9.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.465 ' HB2' ' CA ' ' A' ' 82' ' ' GLY . . . -55.99 -24.48 39.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -61.96 -54.51 40.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 110.44 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.413 ' HG3' ' N ' ' A' ' 108' ' ' PHE . 0.7 OUTLIER -58.87 -23.35 60.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.268 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.564 ' CZ ' HG21 ' A' ' 81' ' ' ILE . 10.6 m-85 -80.62 -47.03 14.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.958 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -53.88 -38.73 65.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.403 ' HA ' ' NE2' ' A' ' 110' ' ' GLN . 0.2 OUTLIER -53.03 -30.6 36.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.326 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -81.41 -42.81 19.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.513 ' O ' ' CD2' ' A' ' 122' ' ' TYR . . . -61.02 -50.92 71.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.466 ' O ' ' N ' ' A' ' 117' ' ' PRO . 13.9 m -65.05 -34.77 72.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.9 -42.95 8.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.362 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -75.22 -43.91 49.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 110.303 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 21.3 mm100 -144.16 83.49 10.11 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.27 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.466 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.3 Cg_endo -74.97 -3.44 13.93 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.484 1.781 . . . . 0.0 110.974 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -101.16 -11.76 19.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.276 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -69.85 118.05 12.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' THR . . . . . 0.455 ' O ' HD11 ' A' ' 123' ' ' LEU . 1.8 t -52.78 -40.07 62.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.394 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -58.5 -45.28 89.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.577 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.513 ' CD2' ' O ' ' A' ' 112' ' ' ALA . 10.2 m-30 -78.58 -24.47 45.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 111.018 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.529 ' C ' ' CD2' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -76.29 -50.98 12.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.511 ' N ' ' CD1' ' A' ' 123' ' ' LEU . 7.7 tptt -51.28 -45.46 62.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.11 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.93 -42.17 75.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 0.0 109.966 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.412 ' O ' ' OG1' ' A' ' 129' ' ' THR . 15.6 tp -68.15 -40.1 82.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -68.01 -34.35 76.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.259 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 3.4 mtp -56.48 -32.12 64.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 111.008 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.412 ' OG1' ' O ' ' A' ' 126' ' ' LEU . 17.0 p -67.73 -39.69 84.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.398 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -42.02 -29.15 0.21 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.127 . . . . 0.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.412 ' N ' ' C ' ' A' ' 129' ' ' THR . 8.8 mmtt -130.19 39.77 3.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.345 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . 0.525 ' N ' ' CD ' ' A' ' 133' ' ' PRO . . . -63.8 -51.46 64.77 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' PRO . . . . . 0.525 ' CD ' ' N ' ' A' ' 132' ' ' ALA . 18.4 Cg_endo -74.98 -25.41 11.93 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.528 1.804 . . . . 0.0 111.008 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . 0.465 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 27.7 tp60 -80.52 -51.02 9.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.264 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.557 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 54.0 mt -50.99 -41.93 59.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' HIS . . . . . 0.545 ' CD2' ' HB1' ' A' ' 98' ' ' ALA . 59.2 t-80 -67.29 -44.3 79.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.592 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . 0.516 ' O ' ' CB ' ' A' ' 141' ' ' LYS . . . -62.06 -52.42 63.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.48 ' CG ' ' HA ' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -69.2 -27.82 65.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 110.308 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.557 ' CB ' ' O ' ' A' ' 135' ' ' LEU . . . -61.42 -49.19 77.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' TYR . . . . . 0.555 ' CE2' ' HA ' ' A' ' 93' ' ' PRO . 6.2 m-85 -87.16 -41.81 13.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.974 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . 0.516 ' CB ' ' O ' ' A' ' 137' ' ' ALA . 0.0 OUTLIER -55.4 -48.1 74.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 110.323 179.997 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.432 ' CG ' ' CE2' ' A' ' 13' ' ' PHE . 12.7 ttm180 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.469 HG21 ' CD2' ' A' ' 44' ' ' LEU . 52.1 mt -62.6 -39.59 85.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.6 mt -63.4 -36.34 83.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.271 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.464 HD13 ' CD1' ' A' ' 16' ' ' ILE . 0.1 OUTLIER -60.85 -52.77 63.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.455 ' CE2' ' HB3' ' A' ' 43' ' ' GLU . 21.4 m-85 -63.94 -27.98 69.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 111.016 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.467 ' CG ' ' O ' ' A' ' 10' ' ' ILE . 2.0 mm-40 -63.63 -58.35 7.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.322 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.482 ' HG3' ' N ' ' A' ' 16' ' ' ILE . 0.8 OUTLIER -53.09 -31.5 42.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.278 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.482 ' N ' ' HG3' ' A' ' 15' ' ' GLN . 21.3 mt -71.39 -52.53 25.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -49.83 -48.46 50.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 110.263 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.433 ' HG3' ' N ' ' A' ' 19' ' ' ASP . 19.3 pt20 -64.81 -43.41 93.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.477 ' O ' ' CB ' ' A' ' 23' ' ' THR . 0.3 OUTLIER -65.48 -38.92 91.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 16' ' ' ILE . . . -73.44 -57.49 3.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.537 ' HG3' ' CZ2' ' A' ' 37' ' ' TRP . 3.2 tt0 -50.59 -49.51 56.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 31.6 t30 -64.49 -47.62 78.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.533 ' CG2' ' CG ' ' A' ' 33' ' ' ASN . 2.1 m -53.9 -23.85 14.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.138 . . . . 0.0 110.38 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.457 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 8.4 t80 -53.3 -60.17 3.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.985 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.9 -32.45 70.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.9 t -71.75 -31.87 67.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 110.021 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 23' ' ' THR . 5.6 t-20 -152.98 81.92 5.07 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 15.04 0.77 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.518 1.799 . . . . 0.0 110.995 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.485 ' O ' ' CG2' ' A' ' 70' ' ' ILE . 13.2 mt -131.66 15.68 4.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.334 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.509 ' O ' ' CB ' ' A' ' 34' ' ' LEU . 1.8 m-20 -90.54 99.28 12.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.03 -27.21 66.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.5 -53.77 12.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.533 ' CG ' ' CG2' ' A' ' 23' ' ' THR . 18.6 t-20 -71.29 -33.45 69.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.133 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.509 ' CB ' ' O ' ' A' ' 30' ' ' ASP . 4.0 tp -66.89 -40.52 87.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.8 m -71.03 -51.57 24.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.381 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.48 ' HG3' ' N ' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -58.27 -25.04 61.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.333 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.566 ' CH2' ' HE3' ' A' ' 63' ' ' LYS . 14.5 t90 -67.75 -26.93 66.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 107.963 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.583 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -85.1 -57.71 2.21 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.475 1.109 . . . . 0.0 110.983 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -40.26 -43.66 2.78 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.447 ' CG1' ' N ' ' A' ' 41' ' ' LEU . 2.8 p -67.36 -47.43 81.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.543 0.79 . . . . 0.0 109.291 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.475 HD12 ' CG ' ' A' ' 59' ' ' GLU . 14.0 mt -48.63 -45.24 38.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.356 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.4 mt -65.57 -41.51 92.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.566 ' O ' ' CE1' ' A' ' 47' ' ' PHE . 8.2 mm-40 -59.74 -57.34 13.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 110.333 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.483 ' HB3' ' CD2' ' A' ' 48' ' ' HIS . 6.8 mt -59.02 -37.3 76.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.4 m -54.21 -21.75 9.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.028 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.614 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -68.06 -7.25 27.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.306 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.614 ' CZ ' ' HB3' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -158.02 47.98 0.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 110.982 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.483 ' CD2' ' HB3' ' A' ' 44' ' ' LEU . 2.0 m-70 -132.14 8.2 4.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.601 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.476 ' CB ' ' O ' ' A' ' 48' ' ' HIS . 0.3 OUTLIER 83.91 144.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.028 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.473 HG13 ' CD2' ' A' ' 91' ' ' LEU . 0.1 OUTLIER -56.84 -51.6 65.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.549 ' HA ' ' CE ' ' A' ' 54' ' ' LYS . 46.0 t -45.17 -56.6 4.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.997 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.3 -44.38 68.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.444 ' HB3' ' HA ' ' A' ' 50' ' ' ILE . . . -45.15 -55.11 6.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.549 ' CE ' ' HA ' ' A' ' 51' ' ' SER . 4.3 mtmp? -53.75 -47.14 70.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -62.48 -45.29 93.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 110.284 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 8.4 mtp -65.59 -30.28 70.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 38.9 mt -72.53 -49.36 42.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -47.83 -54.27 12.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.329 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.475 ' CG ' HD12 ' A' ' 41' ' ' LEU . 3.9 pt-20 -65.47 -34.54 78.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.54 -33.42 71.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.562 HD11 ' CD1' ' A' ' 85' ' ' TYR . 0.5 OUTLIER -75.33 -58.53 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.4 ' N ' HG22 ' A' ' 61' ' ' ILE . 43.1 p -49.63 -25.65 3.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 110.437 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.566 ' HE3' ' CH2' ' A' ' 37' ' ' TRP . 0.2 OUTLIER -74.0 -44.21 55.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.583 ' CE1' ' HA3' ' A' ' 38' ' ' GLY . 22.2 m-85 -63.04 -44.57 95.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -48.51 -55.54 10.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 110.31 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.23 -35.48 79.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.498 ' CB ' ' HG ' ' A' ' 34' ' ' LEU . . . -64.03 -39.3 93.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 109.305 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 13.1 mt -64.79 -31.53 72.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.21 -33.77 76.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.485 ' CG2' ' O ' ' A' ' 29' ' ' LEU . 5.6 mt -71.6 -41.9 71.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.562 1.163 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -155.06 114.42 2.34 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -4.71 15.81 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.489 1.784 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 75' ' ' ASP . 1.0 OUTLIER -82.55 -6.31 59.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.368 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -68.3 68.93 0.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.6 OUTLIER -51.91 -34.05 39.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.482 ' HG3' ' CE3' ' A' ' 79' ' ' TRP . 40.0 tt0 -65.62 -46.54 78.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.76 -31.4 38.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.45 ' CG1' ' HB2' ' A' ' 111' ' ' GLN . 27.7 t -74.51 -53.07 17.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.482 ' CE3' ' HG3' ' A' ' 76' ' ' GLU . 0.5 OUTLIER -59.3 -47.54 84.99 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.533 1.146 . . . . 0.0 108.014 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.576 ' HB3' ' CZ ' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -50.78 -51.68 48.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 108.31 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.577 HG22 ' CZ ' ' A' ' 108' ' ' PHE . 50.6 mt -52.09 -36.6 20.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.401 ' O ' ' OG1' ' A' ' 86' ' ' THR . . . -73.45 -42.77 40.01 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.48 1.113 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -64.47 -32.13 73.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 0.79 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.438 ' CB ' HD12 ' A' ' 61' ' ' ILE . . . -69.03 -55.16 11.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.562 ' CD1' HD11 ' A' ' 61' ' ' ILE . 7.2 m-85 -60.73 -46.3 90.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 82' ' ' GLY . 90.1 m -55.21 -47.06 75.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 110.408 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.2 t -66.42 -50.65 62.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 110.009 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -52.92 -37.07 60.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.978 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.458 ' HB1' ' CA ' ' A' ' 98' ' ' ALA . . . -58.35 -50.04 75.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.4 ' O ' ' OH ' ' A' ' 140' ' ' TYR . 40.4 m-85 -57.08 -21.55 32.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.976 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.496 ' O ' ' HD3' ' A' ' 93' ' ' PRO . 18.6 mt -94.69 -3.28 49.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.408 HG23 ' N ' ' A' ' 98' ' ' ALA . 1.3 m -98.61 105.71 31.98 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 110.381 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.525 ' HA ' ' CE2' ' A' ' 140' ' ' TYR . 18.3 Cg_endo -75.06 -12.25 21.39 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.485 1.782 . . . . 0.0 111.0 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.632 ' O ' ' CB ' ' A' ' 95' ' ' GLU . 29.6 m-20 -58.66 -48.68 80.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.632 ' CB ' ' O ' ' A' ' 94' ' ' ASP . 2.5 mm-40 97.33 -55.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.6 t -59.32 -41.33 88.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.414 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -74.3 -34.56 63.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.28 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.507 ' CB ' ' NE2' ' A' ' 136' ' ' HIS . . . -69.81 -52.57 23.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.74 -49.91 71.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.445 ' CD2' ' C ' ' A' ' 100' ' ' HIS . 1.0 OUTLIER -57.71 -35.89 71.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.624 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . 0.415 ' OD1' ' CA ' ' A' ' 85' ' ' TYR . 0.3 OUTLIER -68.96 -48.86 62.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.471 ' CE2' ' HB2' ' A' ' 136' ' ' HIS . 6.2 m-85 -51.27 -44.8 61.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.952 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -71.7 -25.68 62.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -72.8 -47.45 46.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.334 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.22 -23.92 67.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.9 m -67.34 -54.94 16.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 110.38 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.427 ' HG3' ' N ' ' A' ' 108' ' ' PHE . 0.9 OUTLIER -51.72 -24.41 5.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 110.329 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.577 ' CZ ' HG22 ' A' ' 81' ' ' ILE . 7.3 m-85 -83.24 -47.8 11.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.979 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.501 ' CD2' ' CG2' ' A' ' 129' ' ' THR . 15.7 m-85 -54.08 -25.15 20.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.143 . . . . 0.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -67.06 -30.22 70.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.45 ' HB2' ' CG1' ' A' ' 78' ' ' VAL . 36.2 mt-30 -81.21 -40.51 23.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.585 ' O ' ' CD2' ' A' ' 122' ' ' TYR . . . -63.57 -50.08 70.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.462 ' O ' ' N ' ' A' ' 117' ' ' PRO . 3.6 m -68.84 -38.46 78.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -44.79 -41.49 7.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.402 ' O ' ' OE1' ' A' ' 116' ' ' GLN . 1.8 mm-40 -75.08 -44.45 47.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 110.312 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.402 ' OE1' ' O ' ' A' ' 115' ' ' GLU . 17.0 mm100 -143.79 82.85 10.9 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.287 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.462 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.4 Cg_endo -75.01 -10.87 21.39 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.513 1.796 . . . . 0.0 111.033 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -91.48 -12.11 35.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -69.9 112.8 6.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' THR . . . . . 0.444 ' O ' HD12 ' A' ' 123' ' ' LEU . 2.2 t -52.73 -22.92 5.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.458 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -70.46 -48.67 54.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.589 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.585 ' CD2' ' O ' ' A' ' 112' ' ' ALA . 15.3 m-30 -79.19 -25.67 42.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.531 ' C ' ' CD2' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -69.04 -50.15 51.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.137 . . . . 0.0 109.329 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.527 ' N ' ' CD1' ' A' ' 123' ' ' LEU . 4.2 mptt -50.3 -43.68 53.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' SER . . . . . 0.5 ' O ' ' CG2' ' A' ' 129' ' ' THR . 0.7 OUTLIER -55.48 -41.22 72.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.987 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.432 ' O ' ' OG1' ' A' ' 129' ' ' THR . 3.9 tp -69.49 -35.1 75.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.337 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -68.07 -43.56 78.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' MET . . . . . 0.442 ' CE ' HD13 ' A' ' 135' ' ' LEU . 0.1 OUTLIER -64.67 -45.41 86.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.501 ' CG2' ' CD2' ' A' ' 109' ' ' PHE . 40.7 p -53.52 -31.95 48.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.39 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -40.7 -64.02 0.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 109.297 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.494 ' O ' ' CG ' ' A' ' 135' ' ' LEU . 0.4 OUTLIER -95.34 53.15 1.47 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . 0.579 ' N ' ' CD ' ' A' ' 133' ' ' PRO . . . -66.84 -48.33 52.18 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.343 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 132' ' ' ALA . 18.3 Cg_endo -75.03 -27.67 9.76 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.515 1.798 . . . . 0.0 110.954 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . 0.465 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 2.0 mm-40 -80.86 -47.1 14.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.295 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.542 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 20.5 mt -52.61 -41.3 63.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' HIS . . . . . 0.507 ' NE2' ' CB ' ' A' ' 98' ' ' ALA . 27.4 t-80 -66.66 -44.7 81.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.616 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . 0.521 ' O ' ' CB ' ' A' ' 141' ' ' LYS . . . -61.62 -53.29 58.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.488 ' CG ' ' HA ' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -68.99 -26.76 65.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.275 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.542 ' CB ' ' O ' ' A' ' 135' ' ' LEU . . . -59.11 -51.5 69.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' TYR . . . . . 0.525 ' CE2' ' HA ' ' A' ' 93' ' ' PRO . 8.0 m-85 -88.17 -42.92 12.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.989 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . 0.521 ' CB ' ' O ' ' A' ' 137' ' ' ALA . 0.0 OUTLIER -55.99 -47.75 77.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . 0.401 ' CB ' ' O ' ' A' ' 138' ' ' GLU . 3.2 tt0 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 110.331 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.442 ' CG ' ' CE2' ' A' ' 13' ' ' PHE . 8.3 ttm180 . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.34 -0.245 . . . . 0.0 110.34 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.467 HD12 ' CG ' ' A' ' 47' ' ' PHE . 35.1 mt -57.53 -43.43 83.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.346 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.4 mt -57.01 -41.37 78.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.454 ' CD1' HD12 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -58.78 -51.52 69.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.493 ' CE2' ' HB3' ' A' ' 43' ' ' GLU . 14.9 m-85 -63.73 -37.31 86.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 111.015 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -58.67 -58.36 8.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.108 . . . . 0.0 110.277 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.443 ' CG ' ' O ' ' A' ' 12' ' ' LEU . 5.5 pt20 -51.87 -29.06 18.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.266 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.454 HD12 ' CD1' ' A' ' 12' ' ' LEU . 7.9 mt -71.73 -53.08 21.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 109.342 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.4 ttt180 -49.06 -59.37 3.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.429 ' HG3' ' O ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -53.49 -37.72 62.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.405 ' HB2' ' O ' ' A' ' 15' ' ' GLN . 0.1 OUTLIER -68.46 -38.58 81.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.503 ' CB ' ' CG ' ' A' ' 37' ' ' TRP . . . -56.96 -41.34 78.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.628 ' HG2' ' CZ2' ' A' ' 37' ' ' TRP . 1.4 mt-10 -66.53 -39.42 88.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.32 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.418 ' ND2' ' N ' ' A' ' 22' ' ' ASN . 0.8 OUTLIER -74.72 -32.75 62.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.239 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.502 HG22 ' CB ' ' A' ' 33' ' ' ASN . 21.4 m -66.71 -23.18 66.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.418 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.475 ' O ' ' N ' ' A' ' 28' ' ' PRO . 0.0 OUTLIER -65.38 -62.96 1.22 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 110.975 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.32 -23.45 62.48 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.06 -25.67 25.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 110.008 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.486 ' C ' ' H ' ' A' ' 29' ' ' LEU . 2.6 t-20 -169.55 79.38 0.67 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.475 ' N ' ' O ' ' A' ' 24' ' ' TYR . 18.2 Cg_endo -74.99 20.78 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.514 1.797 . . . . 0.0 111.004 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.486 ' H ' ' C ' ' A' ' 27' ' ' ASN . 13.0 mt -131.71 14.2 4.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.409 ' O ' ' HB2' ' A' ' 34' ' ' LEU . 1.0 OUTLIER -90.64 98.03 11.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.77 -30.38 67.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -60.76 -54.59 43.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.252 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.502 ' CB ' HG22 ' A' ' 23' ' ' THR . 0.4 OUTLIER -71.24 -42.68 68.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.423 HD11 ' O ' ' A' ' 34' ' ' LEU . 0.3 OUTLIER -51.05 -56.05 14.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.245 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 m -58.7 -34.58 71.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.401 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.451 ' CZ ' HD11 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -70.51 -26.16 63.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.113 . . . . 0.0 110.321 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.628 ' CZ2' ' HG2' ' A' ' 21' ' ' GLU . 4.5 t90 -61.48 -26.73 68.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 107.98 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.599 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -83.66 -59.45 2.11 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.553 1.158 . . . . 0.0 110.961 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 38' ' ' GLY . . . -36.15 -46.07 0.94 Allowed Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.497 ' CG1' ' N ' ' A' ' 41' ' ' LEU . 1.1 p -67.22 -49.61 70.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.511 0.771 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.497 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 12.1 mt -49.7 -44.16 47.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.464 HD23 ' CB ' ' A' ' 60' ' ' ALA . 18.0 mt -65.39 -38.34 89.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.493 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 8.0 mm-40 -63.53 -58.72 6.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.453 ' O ' ' CD2' ' A' ' 47' ' ' PHE . 16.5 mt -62.03 -27.35 68.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.2 m -61.8 -35.01 76.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.977 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.432 ' HG2' ' N ' ' A' ' 47' ' ' PHE . 0.6 OUTLIER -61.57 -37.71 84.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.292 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.615 ' CZ ' ' CE1' ' A' ' 48' ' ' HIS . 0.0 OUTLIER -80.24 -30.88 38.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 111.017 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.615 ' CE1' ' CZ ' ' A' ' 47' ' ' PHE . 4.7 m-70 -78.97 143.37 35.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.582 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.6 m -51.17 160.5 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.086 . . . . 0.0 110.037 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.481 ' CG1' HD21 ' A' ' 91' ' ' LEU . 0.1 OUTLIER -55.37 -48.02 77.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.421 ' N ' HG21 ' A' ' 50' ' ' ILE . 13.1 p -44.56 -53.63 6.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 110.052 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -75.23 -38.34 60.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -46.61 -54.54 9.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.68 -57.78 7.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -51.63 -49.25 62.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 85.6 mtp -60.94 -38.92 87.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 111.003 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.422 ' CG2' ' HB2' ' A' ' 88' ' ' PHE . 8.9 mt -68.02 -55.51 16.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.404 ' O ' ' HB ' ' A' ' 61' ' ' ILE . 2.1 mm100 -49.13 -46.42 45.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.493 ' O ' ' OG1' ' A' ' 62' ' ' THR . 2.7 tp10 -66.59 -39.19 88.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.464 ' CB ' HD23 ' A' ' 42' ' ' LEU . . . -59.94 -31.63 70.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.498 HG12 ' CE1' ' A' ' 85' ' ' TYR . 0.9 OUTLIER -62.39 -49.69 82.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.15 . . . . 0.0 109.312 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.493 ' OG1' ' O ' ' A' ' 59' ' ' GLU . 27.6 p -53.99 -42.88 69.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.164 . . . . 0.0 110.376 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.524 ' HE2' ' CD2' ' A' ' 37' ' ' TRP . 11.7 mmtm -49.49 -56.0 11.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.599 ' CE1' ' HA3' ' A' ' 38' ' ' GLY . 14.6 m-85 -57.65 -44.58 85.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -47.96 -53.92 14.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.275 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -65.04 -35.19 80.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.269 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.95 -45.42 85.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.44 ' CD1' HD12 ' A' ' 81' ' ' ILE . 10.5 mt -60.09 -31.69 70.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.1 mt -64.24 -43.53 94.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 6.1 mt -64.04 -44.42 97.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -150.6 112.74 3.2 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -6.9 18.65 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.504 1.791 . . . . 0.0 110.973 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 75' ' ' ASP . 31.1 mttt -82.75 -5.72 59.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.9 tptp -65.23 75.21 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.341 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 73' ' ' LYS . 2.5 p30 -52.09 -33.78 40.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.442 ' HG3' ' CE3' ' A' ' 79' ' ' TRP . 37.4 tt0 -66.45 -47.87 71.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.36 -32.3 37.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.271 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.439 ' CG1' ' HB2' ' A' ' 111' ' ' GLN . 27.8 t -74.6 -53.45 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.514 ' CD1' ' OG ' ' A' ' 125' ' ' SER . 0.5 OUTLIER -58.32 -46.91 85.27 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.597 ' SG ' ' CZ ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -51.07 -51.38 53.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 108.302 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.566 HG23 ' CZ ' ' A' ' 108' ' ' PHE . 49.4 mt -51.99 -39.75 26.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.467 ' CA ' ' HB3' ' A' ' 105' ' ' ALA . . . -70.87 -39.67 64.59 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.485 1.116 . . . . 0.0 110.986 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -64.64 -32.25 73.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 0.795 . . . . 0.0 109.329 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.458 ' HB3' ' CD1' ' A' ' 61' ' ' ILE . . . -70.02 -55.6 9.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.498 ' CE1' HG12 ' A' ' 61' ' ' ILE . 12.0 m-85 -59.14 -41.94 89.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 111.017 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 55.4 m -57.46 -48.26 79.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.403 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.4 m -65.89 -52.24 51.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.036 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.422 ' HB2' ' CG2' ' A' ' 57' ' ' ILE . 53.6 t80 -51.46 -40.33 59.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.98 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.561 ' HB3' ' CD2' ' A' ' 102' ' ' PHE . . . -56.08 -49.74 72.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.402 ' O ' ' OH ' ' A' ' 140' ' ' TYR . 38.8 m-85 -58.52 -18.64 30.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 111.044 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.481 HD21 ' CG1' ' A' ' 50' ' ' ILE . 8.3 mt -92.02 -25.55 18.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.63 120.01 64.17 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 110.432 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.402 ' O ' ' N ' ' A' ' 95' ' ' GLU . 18.3 Cg_endo -75.0 -23.21 14.03 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.477 1.777 . . . . 0.0 110.988 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.66 89.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 93' ' ' PRO . 91.4 mt-10 -41.51 -47.31 3.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.4 m -52.62 -54.69 29.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.432 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -68.51 -50.18 54.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.319 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -52.69 -54.03 39.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.98 -53.09 61.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.451 ' CD2' ' C ' ' A' ' 100' ' ' HIS . 1.2 t60 -49.45 -45.64 46.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.583 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -68.86 -50.67 47.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.088 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.569 ' CE2' ' HB2' ' A' ' 136' ' ' HIS . 1.8 m-85 -52.83 -41.36 64.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.972 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.58 -20.91 59.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.437 ' O ' ' CG ' ' A' ' 107' ' ' GLN . 0.1 OUTLIER -73.07 -46.66 50.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.467 ' HB3' ' CA ' ' A' ' 82' ' ' GLY . . . -58.7 -29.43 66.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.496 ' OG1' ' CG2' ' A' ' 129' ' ' THR . 20.3 m -61.77 -56.29 21.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 110.398 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.437 ' CG ' ' O ' ' A' ' 104' ' ' LEU . 1.8 pt20 -54.66 -23.25 16.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.287 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.566 ' CZ ' HG23 ' A' ' 81' ' ' ILE . 7.3 m-85 -83.3 -49.23 9.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 110.973 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.554 ' CE2' ' OG1' ' A' ' 129' ' ' THR . 20.5 m-85 -55.24 -20.1 10.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 111.007 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -73.9 -26.51 60.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.439 ' HB2' ' CG1' ' A' ' 78' ' ' VAL . 38.6 mt-30 -81.45 -42.95 19.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 110.283 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -50.76 -52.08 44.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.35 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 117' ' ' PRO . 5.7 m -67.0 -37.53 79.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -45.32 -47.5 13.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -68.73 -40.43 79.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.312 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -157.29 90.01 2.47 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.297 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.443 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.3 Cg_endo -75.01 -3.15 13.5 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.479 1.778 . . . . 0.0 110.996 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.8 -11.99 52.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -68.41 116.81 9.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.332 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 37.7 p -56.52 -46.37 80.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.413 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . 0.438 ' H ' ' CD2' ' A' ' 121' ' ' HIS . 11.5 m-70 -51.42 -59.48 4.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.591 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.4 ' HB3' ' CG1' ' A' ' 113' ' ' VAL . 10.9 m-30 -51.92 -33.61 37.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.524 ' C ' ' CD2' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -65.99 -49.24 68.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.413 ' N ' HD12 ' A' ' 123' ' ' LEU . 13.6 tptt -63.62 -46.03 87.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.249 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' SER . . . . . 0.514 ' OG ' ' CD1' ' A' ' 79' ' ' TRP . 0.1 OUTLIER -57.24 -45.12 84.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 110.014 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 31.2 tp -72.13 -39.51 68.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.253 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.59 -46.93 83.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 110.359 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 6.0 mmm -63.74 -36.12 82.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.554 ' OG1' ' CE2' ' A' ' 109' ' ' PHE . 0.9 OUTLIER -59.78 -23.82 63.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.425 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -41.95 -59.06 1.84 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.095 . . . . 0.0 109.358 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.507 ' O ' ' CG ' ' A' ' 135' ' ' LEU . 1.8 mptm? -95.76 47.63 1.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 109.273 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . 0.541 ' N ' ' CD ' ' A' ' 133' ' ' PRO . . . -63.28 -49.93 77.19 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' PRO . . . . . 0.541 ' CD ' ' N ' ' A' ' 132' ' ' ALA . 18.3 Cg_endo -75.02 -27.28 10.11 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.501 1.79 . . . . 0.0 110.989 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -78.37 -48.14 16.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.15 . . . . 0.0 110.327 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.573 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 7.1 mt -48.45 -38.1 18.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.264 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' HIS . . . . . 0.602 ' CD2' ' CE1' ' A' ' 140' ' ' TYR . 31.2 t-80 -69.35 -44.34 71.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.618 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . 0.536 ' O ' ' CB ' ' A' ' 141' ' ' LYS . . . -61.79 -51.8 66.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.25 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.504 ' CG ' ' HA ' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -68.98 -27.46 65.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 110.312 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.573 ' CB ' ' O ' ' A' ' 135' ' ' LEU . . . -69.1 -49.88 53.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' TYR . . . . . 0.602 ' CE1' ' CD2' ' A' ' 136' ' ' HIS . 5.8 m-85 -80.14 -33.04 38.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 110.945 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . 0.536 ' CB ' ' O ' ' A' ' 137' ' ' ALA . 0.0 OUTLIER -67.61 -48.04 67.94 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.113 . . . . 0.0 110.315 179.995 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.8 ttm180 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.566 HD11 ' CD1' ' A' ' 47' ' ' PHE . 59.0 mt -60.53 -43.5 94.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.2 mt -55.46 -44.27 76.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.451 1.094 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.474 HD11 ' CD1' ' A' ' 16' ' ' ILE . 0.1 OUTLIER -55.26 -52.28 63.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.461 ' N ' ' HG ' ' A' ' 12' ' ' LEU . 18.6 m-85 -64.02 -36.18 83.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.127 . . . . 0.0 110.996 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -56.01 -60.0 4.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.329 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.452 ' CG ' ' O ' ' A' ' 12' ' ' LEU . 8.2 pt20 -51.22 -31.33 20.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 110.312 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.474 ' CD1' HD11 ' A' ' 12' ' ' LEU . 22.4 mt -71.7 -51.68 30.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 -48.72 -58.2 5.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.315 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.413 ' HG3' ' O ' ' A' ' 15' ' ' GLN . 0.1 OUTLIER -59.5 -39.31 83.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.268 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.466 ' O ' ' CB ' ' A' ' 23' ' ' THR . 0.3 OUTLIER -65.6 -40.74 93.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.47 ' CB ' ' HB2' ' A' ' 37' ' ' TRP . . . -73.56 -56.83 4.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.342 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.554 ' HG3' ' CZ2' ' A' ' 37' ' ' TRP . 8.8 tt0 -50.61 -50.15 54.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.436 1.085 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.6 t30 -64.12 -45.97 86.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.563 ' CG2' ' CG ' ' A' ' 33' ' ' ASN . 2.2 m -56.29 -24.47 43.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.118 . . . . 0.0 110.393 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.451 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 7.6 t80 -52.51 -60.04 3.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.979 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.64 -28.4 68.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.78 -31.41 68.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.016 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 23' ' ' THR . 1.2 t-20 -168.95 87.8 0.63 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 109.335 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 0.2 9.21 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.453 1.765 . . . . 0.0 110.975 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.431 ' O ' ' CG2' ' A' ' 70' ' ' ILE . 11.3 mt -93.47 -20.15 20.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.494 ' O ' ' CB ' ' A' ' 34' ' ' LEU . 11.4 t0 -64.84 99.62 0.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.6 -28.14 63.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.76 -55.83 10.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.563 ' CG ' ' CG2' ' A' ' 23' ' ' THR . 25.3 t-20 -68.84 -34.58 75.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.494 ' CB ' ' O ' ' A' ' 30' ' ' ASP . 0.2 OUTLIER -62.66 -56.29 19.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.1 m -58.9 -45.59 89.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.394 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -56.16 -42.66 77.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.281 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.558 ' CH2' ' HE3' ' A' ' 63' ' ' LYS . 12.8 t90 -48.64 -26.58 2.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 107.991 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.496 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -83.95 -59.47 2.08 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.462 1.101 . . . . 0.0 110.997 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 38' ' ' GLY . . . -36.56 -45.84 1.03 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.486 ' CG1' ' N ' ' A' ' 41' ' ' LEU . 0.4 OUTLIER -67.41 -48.62 76.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.551 0.795 . . . . 0.0 109.287 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.486 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 16.5 mt -48.21 -44.71 33.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.478 HD21 ' CB ' ' A' ' 60' ' ' ALA . 15.3 mt -65.56 -37.35 86.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.117 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.4 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 18.1 mm-40 -65.79 -58.91 4.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 110.293 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 67.3 mt -61.86 -27.03 68.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.0 -39.17 71.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.125 . . . . 0.0 110.003 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.509 ' HG2' ' N ' ' A' ' 47' ' ' PHE . 1.1 pt20 -67.9 -32.36 72.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.34 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.566 ' CD1' HD11 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -80.56 -22.11 41.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 111.053 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.455 ' CE1' ' CE2' ' A' ' 47' ' ' PHE . 2.8 m-70 -80.01 -101.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.579 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 53.9 p -179.15 150.38 0.45 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.04 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.443 HG23 ' CD ' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -45.4 -35.22 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 42.9 t -55.22 -56.73 16.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.967 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -81.69 -37.54 27.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 57' ' ' ILE . . . -45.47 -52.16 10.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.443 ' CD ' HG23 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -49.49 -57.52 6.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.581 1.175 . . . . 0.0 109.274 -179.929 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -60.77 -45.04 95.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.325 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.2 mmm -59.72 -34.05 72.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.974 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.405 ' N ' ' O ' ' A' ' 53' ' ' ALA . 26.8 mt -72.61 -47.0 52.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 109.289 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -48.38 -54.04 15.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.315 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.461 ' CG ' HD13 ' A' ' 41' ' ' LEU . 3.8 pt-20 -65.73 -35.57 81.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.309 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.478 ' CB ' HD21 ' A' ' 42' ' ' LEU . . . -59.57 -29.14 67.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.566 HG12 ' CE1' ' A' ' 85' ' ' TYR . 0.5 OUTLIER -76.26 -57.71 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.427 ' N ' HG22 ' A' ' 61' ' ' ILE . 58.5 p -49.89 -23.84 2.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.422 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.558 ' HE3' ' CH2' ' A' ' 37' ' ' TRP . 0.1 OUTLIER -73.13 -51.06 19.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.496 ' CE1' ' HA3' ' A' ' 38' ' ' GLY . 17.1 m-85 -58.67 -42.36 88.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.58 -55.82 10.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.28 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.462 ' HB3' ' CD2' ' A' ' 34' ' ' LEU . 4.9 tt0 -60.67 -40.89 93.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.298 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.468 ' CB ' ' HG ' ' A' ' 34' ' ' LEU . . . -62.47 -37.88 87.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.443 ' HG ' ' CB ' ' A' ' 77' ' ' ALA . 5.6 mt -66.03 -28.68 69.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.43 -41.62 76.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.431 ' CG2' ' O ' ' A' ' 29' ' ' LEU . 4.5 mt -64.8 -39.42 85.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -150.03 108.24 3.23 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -11.07 21.4 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.48 1.779 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.3 ptmm? -89.03 2.97 53.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.7 tptp -74.0 84.26 1.76 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.448 ' N ' ' OD1' ' A' ' 75' ' ' ASP . 0.3 OUTLIER -53.95 -38.06 64.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.481 ' HG3' ' CE3' ' A' ' 79' ' ' TRP . 1.7 tp10 -57.69 -51.82 67.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.27 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.443 ' CB ' ' HG ' ' A' ' 68' ' ' LEU . . . -53.08 -32.9 49.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.328 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.465 ' CG1' ' HB2' ' A' ' 111' ' ' GLN . 28.1 t -74.69 -53.24 17.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.492 ' CZ3' ' SG ' ' A' ' 80' ' ' CYS . 0.4 OUTLIER -59.01 -45.5 90.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 107.998 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.493 ' HB3' ' CZ ' ' A' ' 64' ' ' PHE . 0.6 OUTLIER -50.43 -54.12 24.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 0.0 108.325 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.44 HD11 ' CD1' ' A' ' 68' ' ' LEU . 77.1 mt -51.88 -43.3 35.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.448 ' CA ' ' HB1' ' A' ' 105' ' ' ALA . . . -68.15 -39.73 88.35 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.519 1.137 . . . . 0.0 111.028 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 52.1 t-20 -64.5 -36.02 82.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.423 0.72 . . . . 0.0 109.309 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.479 ' HB3' ' CD1' ' A' ' 61' ' ' ILE . . . -68.89 -55.38 11.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.566 ' CE1' HG12 ' A' ' 61' ' ' ILE . 16.6 m-30 -54.25 -47.03 72.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 7.7 m -54.69 -53.07 59.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 110.4 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.403 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 11.3 t -62.36 -52.93 61.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.983 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -51.76 -33.3 34.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 111.017 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.65 ' CB ' ' CE2' ' A' ' 102' ' ' PHE . . . -64.1 -50.17 69.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.412 ' O ' ' OH ' ' A' ' 140' ' ' TYR . 32.3 m-85 -54.14 -19.0 4.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.987 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.424 ' CB ' ' HD2' ' A' ' 54' ' ' LYS . 0.9 OUTLIER -94.53 -21.29 18.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.321 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.412 ' N ' ' O ' ' A' ' 89' ' ' ALA . 0.9 OUTLIER -96.89 116.21 65.99 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.45 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.441 ' O ' ' N ' ' A' ' 95' ' ' GLU . 18.4 Cg_endo -74.96 -24.38 12.98 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.506 1.793 . . . . 0.0 111.042 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -58.86 86.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 93' ' ' PRO . 45.4 mt-10 -40.21 -46.84 2.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 110.306 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.46 ' CG2' ' N ' ' A' ' 97' ' ' GLU . 14.8 t -52.7 -53.26 50.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 110.386 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.46 ' N ' ' CG2' ' A' ' 96' ' ' THR . 6.4 mt-10 -70.61 -50.38 37.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 110.284 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -53.09 -54.41 35.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.2 ttmm -59.93 -47.2 86.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.511 ' CD2' ' C ' ' A' ' 100' ' ' HIS . 0.4 OUTLIER -53.01 -40.72 64.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.597 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . 0.401 ' O ' ' N ' ' A' ' 104' ' ' LEU . 0.8 OUTLIER -73.2 -53.95 9.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.65 ' CE2' ' CB ' ' A' ' 89' ' ' ALA . 5.6 m-85 -50.95 -40.21 56.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -74.76 -19.39 60.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.401 ' N ' ' O ' ' A' ' 101' ' ' ASN . 0.3 OUTLIER -77.76 -53.27 7.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.448 ' HB1' ' CA ' ' A' ' 82' ' ' GLY . . . -51.53 -25.96 7.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.528 ' OG1' ' CG2' ' A' ' 129' ' ' THR . 2.8 m -62.52 -55.04 31.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.434 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -54.95 -25.01 26.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.128 . . . . 0.0 110.311 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.425 ' CZ ' HG22 ' A' ' 81' ' ' ILE . 20.3 m-85 -82.33 -46.36 13.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.998 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.488 ' CE2' ' OG1' ' A' ' 129' ' ' THR . 7.7 m-85 -53.99 -28.31 37.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.951 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -71.87 -24.67 61.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.465 ' HB2' ' CG1' ' A' ' 78' ' ' VAL . 33.6 mt-30 -81.0 -36.0 31.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 110.333 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.43 -52.45 64.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.473 ' O ' ' N ' ' A' ' 117' ' ' PRO . 6.1 m -65.49 -37.23 79.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -45.3 -52.7 9.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -65.44 -43.9 89.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.265 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -153.64 91.01 3.31 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.29 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.473 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.1 Cg_endo -75.07 -4.46 15.42 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.47 1.774 . . . . 0.0 110.97 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.58 -12.2 52.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.31 115.16 4.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 72.4 p -57.64 -38.29 74.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.414 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . 0.458 ' H ' ' CD2' ' A' ' 121' ' ' HIS . 8.6 m-70 -58.21 -59.55 5.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.594 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 11.8 m-30 -53.18 -37.32 61.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.514 ' C ' ' CD2' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -60.3 -48.1 83.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.42 ' N ' HD11 ' A' ' 123' ' ' LEU . 0.2 OUTLIER -65.74 -39.29 90.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' SER . . . . . 0.422 ' O ' ' OG1' ' A' ' 129' ' ' THR . 0.7 OUTLIER -60.01 -54.49 45.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.962 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 21.0 tp -65.22 -46.43 80.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -50.44 -47.05 56.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.295 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' MET . . . . . 0.469 ' CE ' HD23 ' A' ' 135' ' ' LEU . 2.9 mtp -68.38 -28.51 67.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.95 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.528 ' CG2' ' OG1' ' A' ' 106' ' ' THR . 25.8 m -61.37 -22.5 65.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.362 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -51.28 -42.77 61.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.431 1.082 . . . . 0.0 109.303 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.444 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 0.1 OUTLIER -113.86 41.39 2.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . 0.476 ' N ' ' CD ' ' A' ' 133' ' ' PRO . . . -59.93 -53.56 64.08 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' A' ' 132' ' ' ALA . 18.3 Cg_endo -74.96 -21.33 16.06 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.488 1.783 . . . . 0.0 111.013 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 64.7 tp60 -80.46 -49.43 11.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.28 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.597 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 6.9 mt -49.77 -42.92 47.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' HIS . . . . . 0.59 ' HB2' ' CE2' ' A' ' 102' ' ' PHE . 6.7 t-80 -66.63 -42.99 85.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 109.633 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . 0.439 ' O ' ' HB2' ' A' ' 141' ' ' LYS . . . -62.05 -53.58 53.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.469 ' CG ' ' HA ' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -67.77 -37.02 81.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.303 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.597 ' CB ' ' O ' ' A' ' 135' ' ' LEU . . . -57.47 -36.81 71.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.423 1.077 . . . . 0.0 109.286 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' TYR . . . . . 0.473 ' CD1' ' O ' ' A' ' 136' ' ' HIS . 3.9 m-85 -88.25 -42.57 12.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 111.014 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . 0.439 ' HB2' ' O ' ' A' ' 137' ' ' ALA . 0.0 OUTLIER -62.44 -47.9 82.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 110.323 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.463 ' HG2' ' CE2' ' A' ' 13' ' ' PHE . 13.7 ttm180 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 90.5 mt -58.97 -45.33 92.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.2 mt -57.12 -34.72 68.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.127 . . . . 0.0 109.261 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.457 ' CD1' HD13 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -66.67 -49.09 67.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.268 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.463 ' CE2' ' HG2' ' A' ' 9' ' ' ARG . 11.4 m-85 -63.89 -34.67 78.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -55.74 -51.94 65.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 110.328 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.524 ' HG3' ' N ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -63.17 -28.06 69.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.302 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.524 ' N ' ' HG3' ' A' ' 15' ' ' GLN . 72.6 mt -71.5 -53.44 20.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.373 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -55.14 -35.62 64.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 110.326 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.411 ' O ' ' HB3' ' A' ' 22' ' ' ASN . 6.2 tt0 -69.36 -53.89 17.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.297 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.492 ' O ' ' OD1' ' A' ' 22' ' ' ASN . 0.2 OUTLIER -65.01 -31.75 73.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.417 ' CB ' ' HA ' ' A' ' 37' ' ' TRP . . . -73.61 -46.12 48.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.585 ' HG3' ' CZ2' ' A' ' 37' ' ' TRP . 12.0 tt0 -66.67 -46.26 76.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.3 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.492 ' OD1' ' O ' ' A' ' 19' ' ' ASP . 0.2 OUTLIER -64.97 -42.62 94.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.538 ' CG2' ' CG ' ' A' ' 33' ' ' ASN . 2.0 m -55.99 -25.06 42.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.425 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -53.05 -60.01 3.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 110.955 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.26 -27.73 69.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.58 -36.16 73.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.049 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -169.47 89.98 0.57 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.329 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 0.63 8.65 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.486 1.782 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.485 ' O ' ' CG2' ' A' ' 70' ' ' ILE . 10.3 mt -93.54 -19.65 21.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.342 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.41 ' O ' ' CB ' ' A' ' 34' ' ' LEU . 0.5 OUTLIER -65.49 101.85 0.64 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.88 -22.39 60.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -69.85 -56.07 8.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.538 ' CG ' ' CG2' ' A' ' 23' ' ' THR . 24.1 t-20 -70.81 -35.89 72.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.494 ' HG ' ' CB ' ' A' ' 67' ' ' ALA . 0.7 OUTLIER -61.33 -51.65 67.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.0 m -63.56 -33.06 74.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.402 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.466 ' CZ ' HG21 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -70.46 -41.84 72.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.286 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.585 ' CZ2' ' HG3' ' A' ' 21' ' ' GLU . 12.0 t90 -50.81 -27.34 7.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 108.024 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.567 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -84.53 -57.18 2.37 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -37.78 -45.77 1.57 Allowed Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.482 ' CG1' ' N ' ' A' ' 41' ' ' LEU . 0.5 OUTLIER -67.35 -48.15 78.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.488 0.758 . . . . 0.0 109.279 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.487 HD11 ' CG ' ' A' ' 59' ' ' GLU . 13.5 mt -48.57 -44.16 36.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.406 HD23 ' CB ' ' A' ' 60' ' ' ALA . 14.9 mt -65.5 -37.15 85.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.422 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 18.5 mm-40 -65.55 -58.88 4.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.323 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.536 HD21 ' CE2' ' A' ' 47' ' ' PHE . 20.5 mt -62.04 -26.89 68.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.86 -37.0 63.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.98 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.435 ' HG2' ' N ' ' A' ' 47' ' ' PHE . 5.0 pt20 -67.87 -35.88 79.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.714 ' CE2' ' CD2' ' A' ' 48' ' ' HIS . 0.0 OUTLIER -80.62 -34.94 34.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.977 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.714 ' CD2' ' CE2' ' A' ' 47' ' ' PHE . 4.8 m-70 -78.73 142.77 36.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.591 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.1 m -41.27 152.85 0.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.997 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.474 HG13 ' CD2' ' A' ' 91' ' ' LEU . 0.4 OUTLIER -55.53 -51.16 60.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.428 ' N ' HG21 ' A' ' 50' ' ' ILE . 14.0 t -46.55 -56.36 6.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.994 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.412 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 1.1 m-20 -67.58 -33.17 74.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.476 ' O ' ' CD1' ' A' ' 57' ' ' ILE . . . -59.2 -38.05 78.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.4 mtpt -65.53 -58.37 5.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.317 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.412 ' HG2' ' O ' ' A' ' 52' ' ' ASP . 6.0 pt20 -59.4 -35.74 74.53 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.427 1.079 . . . . 0.0 110.319 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.421 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 79.4 mtp -68.41 -34.03 75.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 110.991 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.476 ' CD1' ' O ' ' A' ' 53' ' ' ALA . 17.4 mt -72.96 -36.53 51.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.266 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -56.39 -54.63 43.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.342 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.487 ' CG ' HD11 ' A' ' 41' ' ' LEU . 2.9 pt-20 -60.96 -33.4 73.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.274 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.48 ' N ' ' HG2' ' A' ' 59' ' ' GLU . . . -60.18 -40.65 90.71 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -65.54 -55.37 20.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.425 ' OG1' ' O ' ' A' ' 59' ' ' GLU . 61.7 p -49.63 -29.07 6.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.377 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.574 ' HE2' ' CH2' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -69.42 -49.61 53.54 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.567 ' CE1' ' HA3' ' A' ' 38' ' ' GLY . 19.0 m-85 -60.4 -39.09 86.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 111.023 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -48.77 -55.66 10.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 110.281 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.14 -39.9 93.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.312 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.494 ' CB ' ' HG ' ' A' ' 34' ' ' LEU . . . -60.06 -34.67 73.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.8 mt -69.0 -30.93 69.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.82 -31.42 72.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.485 ' CG2' ' O ' ' A' ' 29' ' ' LEU . 4.5 mt -75.56 -38.13 38.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -152.1 107.31 2.82 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.25 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -16.84 19.98 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.467 1.772 . . . . 0.0 111.065 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.9 pttt -82.88 1.36 39.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.4 75.85 0.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.479 ' HB3' ' CG ' ' A' ' 115' ' ' GLU . 0.0 OUTLIER -51.39 -25.52 6.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.506 ' HG3' ' CE3' ' A' ' 79' ' ' TRP . 8.9 tt0 -70.02 -52.92 20.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.325 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.29 -31.94 35.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.354 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.473 ' CG1' ' HB2' ' A' ' 111' ' ' GLN . 33.2 t -74.72 -53.51 16.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.506 ' CE3' ' HG3' ' A' ' 76' ' ' GLU . 0.3 OUTLIER -58.19 -46.54 85.6 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.465 ' HB3' ' CZ ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -50.41 -52.97 32.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 108.29 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.567 HG21 ' CZ ' ' A' ' 108' ' ' PHE . 57.7 mt -51.98 -40.38 28.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -70.85 -40.94 63.52 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.48 1.113 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -64.6 -32.88 74.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 0.793 . . . . 0.0 109.287 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.5 -55.59 9.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.576 ' CE2' HD13 ' A' ' 104' ' ' LEU . 8.0 m-85 -59.98 -43.02 95.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 38.6 m -54.8 -46.19 74.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 110.378 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.406 ' O ' ' HB2' ' A' ' 90' ' ' PHE . 4.8 m -67.09 -50.15 62.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.987 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -52.57 -38.23 59.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.434 ' HB1' ' CE2' ' A' ' 102' ' ' PHE . . . -57.98 -47.86 81.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.411 ' O ' ' OH ' ' A' ' 140' ' ' TYR . 35.1 m-85 -59.78 -20.78 58.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.474 ' CD2' HG13 ' A' ' 50' ' ' ILE . 19.9 mt -94.28 -5.75 46.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.45 ' O ' ' NE2' ' A' ' 136' ' ' HIS . 1.0 OUTLIER -97.24 109.24 48.78 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.399 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.538 ' HA ' ' CE2' ' A' ' 140' ' ' TYR . 18.2 Cg_endo -75.01 -16.93 19.92 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.53 1.805 . . . . 0.0 111.005 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.506 ' O ' ' CG ' ' A' ' 95' ' ' GLU . 13.2 t70 -61.18 -126.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.342 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.506 ' CG ' ' O ' ' A' ' 94' ' ' ASP . 2.4 mt-10 -171.71 -55.88 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 110.329 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.2 t -56.34 -36.8 69.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.113 . . . . 0.0 110.401 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -76.03 -39.35 55.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.271 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -69.44 -55.34 10.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.47 -51.38 55.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.42 ' O ' ' HB2' ' A' ' 104' ' ' LEU . 3.5 t60 -55.7 -49.47 72.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.608 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -58.23 -57.65 11.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.564 ' CE2' ' HB2' ' A' ' 136' ' ' HIS . 13.9 m-85 -50.32 -40.48 48.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 110.955 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.88 -25.9 59.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.576 HD13 ' CE2' ' A' ' 85' ' ' TYR . 0.0 OUTLIER -73.65 -53.02 11.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.302 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -58.89 -23.92 61.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.519 ' OG1' ' CG2' ' A' ' 129' ' ' THR . 3.7 m -66.71 -55.24 15.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 110.415 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.403 ' CG ' ' O ' ' A' ' 104' ' ' LEU . 2.2 pt20 -55.49 -23.48 26.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.567 ' CZ ' HG21 ' A' ' 81' ' ' ILE . 17.6 m-85 -82.73 -46.83 12.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.595 ' CE2' ' OG1' ' A' ' 129' ' ' THR . 9.6 m-85 -54.27 -25.34 22.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.157 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.9 -28.18 61.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.473 ' HB2' ' CG1' ' A' ' 78' ' ' VAL . 35.8 mt-30 -81.67 -33.6 31.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 110.274 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.81 -53.69 54.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.478 ' O ' ' N ' ' A' ' 117' ' ' PRO . 8.1 m -64.61 -37.72 80.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.05 -52.49 8.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.479 ' CG ' ' HB3' ' A' ' 75' ' ' ASP . 5.9 mm-40 -62.76 -40.19 96.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 110.301 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -161.31 92.17 1.47 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.243 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.478 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.4 Cg_endo -75.0 -6.14 17.68 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.531 1.806 . . . . 0.0 111.028 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -85.98 5.88 31.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -83.02 117.75 23.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 81.0 p -57.85 -36.69 72.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.349 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . 0.407 ' H ' ' CD2' ' A' ' 121' ' ' HIS . 9.3 m-70 -62.41 -59.53 4.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.113 . . . . 0.0 109.567 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.458 ' CD1' ' N ' ' A' ' 122' ' ' TYR . 8.6 m-30 -54.87 -33.14 61.57 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.498 ' C ' ' CD2' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -63.92 -44.15 93.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.428 ' N ' HD11 ' A' ' 123' ' ' LEU . 0.5 OUTLIER -70.72 -40.49 72.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' SER . . . . . 0.571 ' HB3' ' CE1' ' A' ' 109' ' ' PHE . 1.0 OUTLIER -58.16 -55.47 34.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 110.036 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 19.9 tp -66.3 -42.05 88.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.323 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.431 ' CB ' ' O ' ' A' ' 123' ' ' LEU . 1.1 tp10 -57.44 -47.68 81.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.239 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' MET . . . . . 0.479 ' CE ' HD21 ' A' ' 135' ' ' LEU . 3.1 mtp -67.0 -29.13 68.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 110.977 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.595 ' OG1' ' CE2' ' A' ' 109' ' ' PHE . 89.4 m -61.15 -18.49 58.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.406 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -51.48 -62.9 1.34 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.442 ' O ' ' CG ' ' A' ' 135' ' ' LEU . 1.6 mtmt -91.03 46.85 1.35 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . 0.568 ' N ' ' CD ' ' A' ' 133' ' ' PRO . . . -63.95 -48.33 78.54 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' PRO . . . . . 0.568 ' CD ' ' N ' ' A' ' 132' ' ' ALA . 18.3 Cg_endo -74.97 -25.88 11.5 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.521 1.8 . . . . 0.0 111.049 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 35.0 mm-40 -80.52 -47.37 14.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.259 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.559 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 10.9 mt -49.6 -40.18 37.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' HIS . . . . . 0.564 ' HB2' ' CE2' ' A' ' 102' ' ' PHE . 43.8 t-80 -66.71 -44.31 81.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.593 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . 0.533 ' O ' ' CB ' ' A' ' 141' ' ' LYS . . . -61.89 -52.97 61.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.504 ' O ' ' CG ' ' A' ' 142' ' ' GLN . 0.0 OUTLIER -69.3 -26.69 64.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.26 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.559 ' CB ' ' O ' ' A' ' 135' ' ' LEU . . . -62.09 -49.78 74.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' TYR . . . . . 0.538 ' CE2' ' HA ' ' A' ' 93' ' ' PRO . 6.7 m-85 -87.35 -40.81 14.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . 0.533 ' CB ' ' O ' ' A' ' 137' ' ' ALA . 1.3 ttpp -55.2 -47.56 75.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . 0.504 ' CG ' ' O ' ' A' ' 138' ' ' GLU . 7.1 pt20 . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.137 . . . . 0.0 110.296 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.0 ttm180 . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.479 ' O ' ' CG ' ' A' ' 14' ' ' GLU . 25.1 mt -64.96 -34.75 72.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.8 mt -68.05 -38.16 82.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.45 ' HG ' ' N ' ' A' ' 13' ' ' PHE . 0.1 OUTLIER -61.32 -48.84 79.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.334 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.568 ' CE2' ' HB3' ' A' ' 43' ' ' GLU . 14.2 m-85 -63.99 -36.47 84.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.479 ' CG ' ' O ' ' A' ' 10' ' ' ILE . 2.3 mm-40 -57.45 -55.61 32.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 110.285 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.452 ' HG3' ' N ' ' A' ' 16' ' ' ILE . 8.6 pt20 -56.74 -29.8 62.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.32 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.452 ' N ' ' HG3' ' A' ' 15' ' ' GLN . 50.6 mt -71.4 -54.79 16.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.342 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 21' ' ' GLU . 4.4 ttt180 -56.46 -51.79 67.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 110.317 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.433 ' O ' ' ND2' ' A' ' 22' ' ' ASN . 9.3 tt0 -49.2 -48.52 45.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.307 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.9 -54.49 11.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.426 ' HB2' ' O ' ' A' ' 16' ' ' ILE . . . -49.6 -36.82 25.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.549 ' HG3' ' CZ2' ' A' ' 37' ' ' TRP . 3.1 tt0 -66.38 -40.6 89.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.433 ' ND2' ' O ' ' A' ' 18' ' ' GLN . 1.5 m120 -73.38 -25.96 60.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.495 ' CG2' ' OD2' ' A' ' 30' ' ' ASP . 46.3 m -64.75 -22.89 67.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.383 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -63.05 -63.7 1.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 111.019 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -23.39 63.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.86 -30.04 35.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 0.0 110.024 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.425 ' O ' ' CG ' ' A' ' 30' ' ' ASP . 0.8 OUTLIER -169.78 94.4 0.51 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -7.88 19.59 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.495 1.787 . . . . 0.0 111.002 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 12.3 mt -91.95 3.1 55.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.495 ' OD2' ' CG2' ' A' ' 23' ' ' THR . 38.1 p-10 -81.72 98.4 8.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.95 -51.9 11.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.463 ' HA ' ' CE ' ' A' ' 74' ' ' LYS . 26.2 t70 -47.89 -56.28 7.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.439 ' CG ' HG23 ' A' ' 23' ' ' THR . 3.9 m120 -59.57 -35.67 74.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.497 ' CD2' ' HG3' ' A' ' 63' ' ' LYS . 0.9 OUTLIER -60.27 -49.32 78.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 39.4 m -58.38 -37.85 76.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.38 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -70.47 -47.12 62.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.315 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.588 ' CE3' ' HG2' ' A' ' 63' ' ' LYS . 16.3 t90 -54.23 -26.93 31.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 108.018 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.53 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -86.82 -56.01 2.3 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.521 1.138 . . . . 0.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -46.33 -39.92 10.29 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.451 ' CG1' ' N ' ' A' ' 41' ' ' LEU . 3.8 p -67.41 -48.65 76.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.51 0.771 . . . . 0.0 109.268 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.5 ' O ' ' CE ' ' A' ' 56' ' ' MET . 20.6 mt -48.75 -49.03 40.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.6 mt -58.03 -45.58 86.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 109.262 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.568 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 7.5 mm-40 -55.45 -53.91 50.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 110.295 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.412 ' CB ' ' HE2' ' A' ' 56' ' ' MET . 34.2 mt -61.66 -38.18 86.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.37 -15.11 22.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.97 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.596 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 3.3 tt0 -67.94 -8.23 35.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.262 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.596 ' CZ ' ' HB3' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -158.21 66.38 0.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 110.974 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.635 ' O ' ' C ' ' A' ' 49' ' ' SER . 28.3 m-70 -157.12 122.17 4.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.627 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.635 ' C ' ' O ' ' A' ' 48' ' ' HIS . 20.2 m -17.11 126.48 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.021 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.436 HG22 ' CD ' ' A' ' 54' ' ' LYS . 0.3 OUTLIER -46.64 -45.84 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 41.6 t -47.08 -50.65 19.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.034 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -77.33 -40.13 45.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -46.77 -54.6 9.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.436 ' CD ' HG22 ' A' ' 50' ' ' ILE . 0.5 OUTLIER -51.69 -58.21 7.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 -50.6 -44.82 57.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.341 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.5 ' CE ' ' O ' ' A' ' 41' ' ' LEU . 2.2 ttp -64.74 -34.22 77.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 111.018 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 40.2 mt -73.06 -52.5 21.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -46.89 -55.05 8.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.314 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.446 ' HG2' ' N ' ' A' ' 60' ' ' ALA . 3.1 pt-20 -59.15 -37.53 77.54 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.512 1.133 . . . . 0.0 110.281 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.446 ' N ' ' HG2' ' A' ' 59' ' ' GLU . . . -59.9 -28.53 67.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.556 HG12 ' CE1' ' A' ' 85' ' ' TYR . 1.1 mt -78.16 -54.5 12.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 42.3 p -48.99 -29.27 4.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.39 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.588 ' HG2' ' CE3' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -73.12 -47.48 43.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.27 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.582 ' CZ ' ' HB3' ' A' ' 80' ' ' CYS . 21.9 m-85 -56.37 -38.46 71.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 110.986 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -55.96 -51.13 68.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.323 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -61.43 -37.96 85.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.269 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.35 -42.5 99.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 19.7 mt -62.88 -29.26 70.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 67.4 mt -68.87 -42.12 77.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 6.0 mt -65.15 -42.77 95.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.345 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -154.52 116.14 2.49 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 -5.5 16.86 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.488 1.783 . . . . 0.0 110.984 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 75' ' ' ASP . 9.6 mmmm -82.8 -4.28 57.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.463 ' CE ' ' HA ' ' A' ' 32' ' ' ASP . 3.9 tptp -68.08 70.46 0.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.256 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.6 OUTLIER -52.09 -36.32 50.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.512 ' HG3' ' CE3' ' A' ' 79' ' ' TRP . 30.8 tt0 -62.22 -49.32 76.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.147 . . . . 0.0 110.334 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.47 -32.24 38.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.361 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.462 ' CG1' ' HB2' ' A' ' 111' ' ' GLN . 25.0 t -74.46 -53.26 17.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.349 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.512 ' CE3' ' HG3' ' A' ' 76' ' ' GLU . 0.4 OUTLIER -58.99 -47.35 85.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 107.969 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.582 ' HB3' ' CZ ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -51.01 -50.42 58.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 108.291 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.491 HG22 ' CZ ' ' A' ' 108' ' ' PHE . 45.6 mt -51.9 -45.4 39.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.428 ' CA ' ' HB2' ' A' ' 105' ' ' ALA . . . -64.83 -40.82 97.6 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.488 1.117 . . . . 0.0 111.026 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -64.4 -37.0 86.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 0.757 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.44 ' HB3' ' CD1' ' A' ' 61' ' ' ILE . . . -66.01 -55.03 18.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.556 ' CE1' HG12 ' A' ' 61' ' ' ILE . 18.8 m-30 -54.2 -45.59 72.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 0.0 110.978 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.522 HG23 ' CE1' ' A' ' 102' ' ' PHE . 25.7 m -57.58 -50.88 71.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.393 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 16.9 t -61.95 -51.22 69.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.004 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -56.36 -31.58 63.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 110.995 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.415 ' HB1' ' CE2' ' A' ' 102' ' ' PHE . . . -63.85 -50.81 67.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.437 ' O ' ' CE1' ' A' ' 140' ' ' TYR . 39.8 m-85 -53.73 -25.06 16.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 111.022 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.434 ' CD2' ' CG1' ' A' ' 50' ' ' ILE . 19.0 mt -89.7 -19.93 24.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.441 ' O ' ' NE2' ' A' ' 136' ' ' HIS . 1.0 OUTLIER -92.2 118.05 67.96 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 110.361 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.536 ' HA ' ' CE2' ' A' ' 140' ' ' TYR . 18.3 Cg_endo -74.97 -23.95 13.36 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.485 1.781 . . . . 0.0 111.005 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.45 84.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 93' ' ' PRO . 47.4 mt-10 -38.71 -47.69 1.39 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 110.316 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.2 m -52.87 -54.7 30.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 110.355 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -66.62 -50.22 63.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.468 ' HB3' ' CD2' ' A' ' 136' ' ' HIS . . . -53.06 -53.32 51.96 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.507 1.13 . . . . 0.0 109.306 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -59.52 -50.01 75.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -48.74 -49.0 40.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.56 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -57.11 -56.26 24.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.522 ' CE1' HG23 ' A' ' 86' ' ' THR . 8.1 m-85 -51.01 -41.84 60.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 111.005 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.411 ' O ' ' HB ' ' A' ' 106' ' ' THR . 0.4 OUTLIER -74.17 -19.2 60.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -80.51 -49.75 10.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.428 ' HB2' ' CA ' ' A' ' 82' ' ' GLY . . . -54.47 -24.16 19.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.411 ' HB ' ' O ' ' A' ' 103' ' ' ASP . 1.8 m -59.25 -54.97 40.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.41 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.434 ' HG3' ' N ' ' A' ' 108' ' ' PHE . 0.9 OUTLIER -58.37 -23.22 56.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.273 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.491 ' CZ ' HG22 ' A' ' 81' ' ' ILE . 8.0 m-85 -82.93 -47.08 12.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 110.964 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.415 ' CZ ' ' HB2' ' A' ' 105' ' ' ALA . 22.1 m-85 -53.25 -38.07 62.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 110.989 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -55.09 -32.28 61.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.462 ' HB2' ' CG1' ' A' ' 78' ' ' VAL . 59.8 mt-30 -76.99 -40.47 46.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.326 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.57 -55.04 26.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.488 ' O ' ' N ' ' A' ' 117' ' ' PRO . 12.1 m -65.9 -33.23 62.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.279 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.22 -44.33 7.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 109.249 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.417 ' C ' ' HG2' ' A' ' 116' ' ' GLN . 17.7 mm-40 -74.89 -44.06 50.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 110.316 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.417 ' HG2' ' C ' ' A' ' 115' ' ' GLU . 1.0 OUTLIER -139.13 81.96 20.3 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.264 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.488 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.2 Cg_endo -74.95 -1.05 10.7 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.478 1.778 . . . . 0.0 110.972 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -105.72 -12.08 16.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -61.57 129.93 43.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 73.8 p -56.92 -53.72 54.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.405 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . 0.444 ' H ' ' CD2' ' A' ' 121' ' ' HIS . 9.7 m-70 -54.46 -60.18 3.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.576 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 7.6 m-30 -53.65 -24.9 15.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 0.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.555 ' C ' ' CD2' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -75.04 -50.14 17.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.434 ' N ' HD11 ' A' ' 123' ' ' LEU . 7.6 tptt -60.82 -45.65 93.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' SER . . . . . 0.407 ' OG ' ' O ' ' A' ' 121' ' ' HIS . 0.0 OUTLIER -55.64 -40.26 71.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.027 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.483 ' O ' ' OG1' ' A' ' 129' ' ' THR . 48.3 tp -73.28 -56.99 4.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -51.07 -30.55 16.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.342 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.85 -27.32 29.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.483 ' OG1' ' O ' ' A' ' 126' ' ' LEU . 71.3 p -67.93 -23.42 65.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.428 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -46.79 -56.99 5.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 11.0 mtmm -111.56 47.27 1.04 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . 0.481 ' CB ' ' HD3' ' A' ' 133' ' ' PRO . . . -62.98 -55.21 39.72 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' PRO . . . . . 0.481 ' HD3' ' CB ' ' A' ' 132' ' ' ALA . 18.3 Cg_endo -75.03 -22.04 15.18 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.504 1.792 . . . . 0.0 111.05 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . 0.457 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 69.1 tp60 -80.33 -50.93 9.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 110.269 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.539 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 45.6 mt -49.03 -40.97 33.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' HIS . . . . . 0.468 ' CD2' ' HB3' ' A' ' 98' ' ' ALA . 45.8 t-80 -68.61 -44.72 73.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 109.636 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . 0.501 ' O ' ' CB ' ' A' ' 141' ' ' LYS . . . -61.81 -51.82 66.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.486 ' CG ' ' HA ' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -69.19 -27.09 65.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.271 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.539 ' CB ' ' O ' ' A' ' 135' ' ' LEU . . . -63.68 -49.04 74.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' TYR . . . . . 0.536 ' CE2' ' HA ' ' A' ' 93' ' ' PRO . 5.6 m-85 -86.0 -39.2 17.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . 0.501 ' CB ' ' O ' ' A' ' 137' ' ' ALA . 0.1 OUTLIER -63.64 -47.94 79.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.263 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . 0.448 ' CB ' ' O ' ' A' ' 138' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.297 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.283 -0.265 . . . . 0.0 110.283 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.564 ' CG2' ' CD2' ' A' ' 44' ' ' LEU . 54.6 mt -59.53 -34.6 55.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.9 mt -63.77 -39.93 95.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.322 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.571 ' CD1' ' CD1' ' A' ' 16' ' ' ILE . 0.2 OUTLIER -58.35 -48.66 79.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.457 ' CZ ' ' CD ' ' A' ' 43' ' ' GLU . 20.3 m-85 -63.83 -27.36 69.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.984 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -67.17 -57.9 5.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.331 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.461 ' CG ' ' O ' ' A' ' 12' ' ' LEU . 6.6 pt20 -50.96 -35.27 32.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.323 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.571 ' CD1' ' CD1' ' A' ' 12' ' ' LEU . 18.7 mt -71.22 -52.58 25.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.6 ttt180 -55.36 -32.44 62.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 110.286 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.402 ' O ' ' HB3' ' A' ' 22' ' ' ASN . 13.7 tp60 -69.17 -53.16 21.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.297 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.497 ' O ' ' CB ' ' A' ' 23' ' ' THR . 0.2 OUTLIER -69.44 -29.77 67.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.61 -45.81 50.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.579 ' HG3' ' CZ2' ' A' ' 37' ' ' TRP . 18.0 tt0 -66.64 -45.88 77.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.326 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.486 ' OD1' ' O ' ' A' ' 19' ' ' ASP . 0.2 OUTLIER -66.3 -39.76 89.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.497 ' CB ' ' O ' ' A' ' 19' ' ' ASP . 1.3 m -56.05 -23.29 32.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.393 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -55.95 -60.81 2.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.985 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.426 ' CD ' ' O ' ' A' ' 22' ' ' ASN . 0.0 OUTLIER -56.76 -26.49 57.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.332 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.53 -35.65 73.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.037 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.468 ' O ' ' CG ' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -169.4 96.2 0.51 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -0.16 9.61 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.489 1.784 . . . . 0.0 110.999 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 11.8 mt -101.98 13.51 34.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.474 ' O ' ' CB ' ' A' ' 34' ' ' LEU . 46.6 p30 -90.86 98.29 11.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.418 ' HB2' ' CG2' ' A' ' 70' ' ' ILE . . . -71.83 -27.04 62.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.327 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -71.42 -52.16 20.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.453 ' CB ' ' OD2' ' A' ' 30' ' ' ASP . 0.4 OUTLIER -71.11 -37.56 72.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.495 ' HG ' ' CB ' ' A' ' 67' ' ' ALA . 3.4 tp -61.3 -49.34 77.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.0 m -62.91 -36.58 83.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.387 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.418 ' NE ' HG23 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -70.51 -44.51 67.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 110.308 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.579 ' CZ2' ' HG3' ' A' ' 21' ' ' GLU . 12.8 t90 -52.29 -28.07 17.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 108.003 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.553 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -85.74 -50.36 3.99 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.512 1.132 . . . . 0.0 111.025 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -42.68 -44.59 5.46 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.431 ' CG2' ' O ' ' A' ' 13' ' ' PHE . 4.6 p -67.34 -47.66 80.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.771 . . . . 0.0 109.315 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.473 ' CD1' ' OE2' ' A' ' 59' ' ' GLU . 15.2 mt -49.53 -43.67 45.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.0 mt -61.72 -37.21 83.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.457 ' CD ' ' CZ ' ' A' ' 13' ' ' PHE . 5.1 mm-40 -65.73 -57.06 8.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 110.306 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.564 ' CD2' ' CG2' ' A' ' 10' ' ' ILE . 48.1 mt -62.07 -31.31 71.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 31.3 m -53.76 -18.86 3.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 110.035 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.649 ' HB2' ' CE1' ' A' ' 47' ' ' PHE . 42.4 mt-30 -67.8 -5.56 16.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.303 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.649 ' CE1' ' HB2' ' A' ' 46' ' ' GLN . 1.9 m-85 -157.47 -137.51 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.464 ' O ' ' CB ' ' A' ' 49' ' ' SER . 2.9 m-70 58.54 16.0 3.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.601 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' A' ' 48' ' ' HIS . 3.6 t 83.81 134.59 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.997 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.457 HG21 ' CD ' ' A' ' 54' ' ' LYS . 0.2 OUTLIER -54.74 -39.94 49.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 37.6 t -52.57 -57.55 9.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.073 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.401 ' HB2' ' O ' ' A' ' 48' ' ' HIS . 0.2 OUTLIER -73.4 -42.68 61.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.441 ' HB2' ' HA ' ' A' ' 50' ' ' ILE . . . -46.17 -52.43 12.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.457 ' CD ' HG21 ' A' ' 50' ' ' ILE . 37.3 mtpt -53.87 -56.71 15.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 27.2 mm100 -51.07 -42.05 60.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.278 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.4 mtm -62.18 -34.48 76.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 110.99 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.477 ' CG2' ' HB2' ' A' ' 88' ' ' PHE . 43.9 mt -72.73 -47.49 49.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 109.338 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -48.4 -54.05 15.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.473 ' OE2' ' CD1' ' A' ' 41' ' ' LEU . 5.4 pt-20 -65.64 -34.34 77.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 0.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.432 ' O ' ' CD2' ' A' ' 64' ' ' PHE . . . -59.56 -34.16 72.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.426 HG23 ' N ' ' A' ' 62' ' ' THR . 0.5 OUTLIER -74.62 -57.68 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.426 ' N ' HG23 ' A' ' 61' ' ' ILE . 50.1 p -50.89 -29.81 12.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 110.393 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.578 ' HE3' ' CH2' ' A' ' 37' ' ' TRP . 0.3 OUTLIER -68.83 -47.5 65.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.595 ' CZ ' ' HB3' ' A' ' 80' ' ' CYS . 23.2 m-85 -59.98 -40.09 87.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.443 1.089 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -49.76 -55.09 15.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.274 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -63.5 -36.06 82.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 110.312 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.495 ' CB ' ' HG ' ' A' ' 34' ' ' LEU . . . -63.06 -39.86 95.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.5 mt -63.54 -30.54 71.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.07 -35.15 79.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.418 ' CG2' ' HB2' ' A' ' 31' ' ' ALA . 4.5 mt -74.95 -42.72 46.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -144.43 105.11 4.67 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.245 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -19.06 18.19 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.493 1.786 . . . . 0.0 110.961 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -82.63 1.87 36.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.8 tptp -74.07 76.66 1.73 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.477 ' HB3' ' CG ' ' A' ' 115' ' ' GLU . 0.5 OUTLIER -51.95 -26.57 10.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.475 ' HG2' ' CE3' ' A' ' 79' ' ' TRP . 2.2 tt0 -63.77 -53.66 47.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.89 -32.57 45.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.235 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.421 HG13 ' NE2' ' A' ' 111' ' ' GLN . 55.7 t -74.52 -52.9 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.534 ' CZ3' ' SG ' ' A' ' 80' ' ' CYS . 0.4 OUTLIER -59.08 -50.39 74.23 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.595 ' HB3' ' CZ ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -50.42 -52.71 35.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 108.305 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.629 ' CG2' ' CZ ' ' A' ' 108' ' ' PHE . 44.7 mt -51.8 -33.14 15.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.436 ' CA ' ' HB2' ' A' ' 105' ' ' ALA . . . -76.95 -45.14 12.38 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.502 1.127 . . . . 0.0 111.021 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -64.57 -31.35 72.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 0.741 . . . . 0.0 109.301 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.14 -55.5 12.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.441 ' CE2' HG22 ' A' ' 81' ' ' ILE . 6.3 m-85 -56.46 -40.08 74.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 111.014 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 88.2 m -58.9 -50.88 72.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.452 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 48.2 m -62.41 -51.56 67.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.976 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.477 ' HB2' ' CG2' ' A' ' 57' ' ' ILE . 40.0 t80 -53.3 -33.81 54.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 111.037 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.94 -50.97 66.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.401 ' O ' ' CE1' ' A' ' 140' ' ' TYR . 39.5 m-85 -55.22 -18.08 5.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 111.049 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 43.3 mt -95.18 -20.57 19.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -95.29 117.82 66.57 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.131 . . . . 0.0 110.407 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.402 ' O ' ' N ' ' A' ' 95' ' ' GLU . 18.4 Cg_endo -74.98 -25.09 12.23 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.47 1.774 . . . . 0.0 111.012 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.45 88.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 93' ' ' PRO . 44.8 mt-10 -40.12 -47.69 2.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.264 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.3 m -52.9 -57.71 9.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.409 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -65.19 -38.1 89.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 110.253 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.23 -53.49 56.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.34 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.87 -51.8 68.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.443 ' CD2' ' C ' ' A' ' 100' ' ' HIS . 1.4 t60 -48.84 -39.8 26.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 109.545 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -66.98 -54.97 16.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.453 ' CD1' ' HB1' ' A' ' 132' ' ' ALA . 34.1 m-85 -50.96 -40.53 57.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -73.85 -20.0 60.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.406 ' O ' ' CG ' ' A' ' 107' ' ' GLN . 0.0 OUTLIER -78.52 -49.23 13.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.473 ' HB1' ' CE2' ' A' ' 109' ' ' PHE . . . -58.56 -24.3 60.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.8 m -60.78 -55.42 33.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.43 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.45 ' HG3' ' N ' ' A' ' 108' ' ' PHE . 0.0 OUTLIER -53.5 -26.27 20.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.283 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.629 ' CZ ' ' CG2' ' A' ' 81' ' ' ILE . 33.3 m-85 -84.07 -47.76 10.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 110.961 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.473 ' CE2' ' HB1' ' A' ' 105' ' ' ALA . 19.6 m-85 -55.93 -51.33 68.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.975 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.422 ' NE2' HG23 ' A' ' 113' ' ' VAL . 0.1 OUTLIER -65.32 -25.95 67.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.127 . . . . 0.0 110.269 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.421 ' NE2' HG13 ' A' ' 78' ' ' VAL . 2.3 tt0 -81.79 -37.68 26.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.328 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.59 -54.4 28.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.492 ' CG1' ' HB3' ' A' ' 122' ' ' TYR . 6.4 m -55.91 -36.53 44.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -44.72 -34.98 2.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.477 ' CG ' ' HB3' ' A' ' 75' ' ' ASP . 31.9 mm-40 -75.04 -40.67 60.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.082 . . . . 0.0 110.339 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.483 ' CG ' ' O ' ' A' ' 116' ' ' GLN . 1.8 tt0 -157.05 86.72 2.78 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.254 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -0.89 10.54 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.526 1.803 . . . . 0.0 111.005 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.62 -0.75 55.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -87.07 118.7 26.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 45.0 p -54.63 -52.7 61.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.364 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . 0.442 ' H ' ' CD2' ' A' ' 121' ' ' HIS . 9.9 m-70 -50.94 -47.41 61.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 109.591 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.492 ' HB3' ' CG1' ' A' ' 113' ' ' VAL . 7.2 m-30 -62.77 -24.59 67.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.975 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.539 ' C ' ' CD2' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -76.97 -51.71 10.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -54.16 -41.66 68.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.2 m -55.82 -40.18 72.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.999 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.439 ' CD2' ' HB3' ' A' ' 109' ' ' PHE . 0.2 OUTLIER -68.65 -43.09 76.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.26 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 130' ' ' ALA . 1.5 tp10 -68.09 -41.72 81.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 110.249 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.4 -31.95 4.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 111.037 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.403 ' OG1' ' O ' ' A' ' 126' ' ' LEU . 10.2 p -68.58 -30.76 69.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.409 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 127' ' ' GLU . . . -40.72 -43.24 1.93 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.477 ' O ' ' CG ' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -122.16 47.56 1.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . 0.51 ' N ' ' CD ' ' A' ' 133' ' ' PRO . . . -64.29 -51.75 59.1 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' PRO . . . . . 0.51 ' CD ' ' N ' ' A' ' 132' ' ' ALA . 18.3 Cg_endo -74.99 -24.14 13.12 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.494 1.786 . . . . 0.0 110.978 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . 0.48 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 30.7 mm-40 -80.37 -50.12 10.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 0.0 110.248 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.575 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 11.8 mt -48.31 -44.16 33.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' HIS . . . . . 0.422 ' HB2' ' CE2' ' A' ' 102' ' ' PHE . 16.0 t-80 -66.8 -44.19 81.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.586 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . 0.427 ' O ' ' HB2' ' A' ' 141' ' ' LYS . . . -61.88 -53.03 61.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.329 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.48 ' CG ' ' O ' ' A' ' 134' ' ' GLN . 0.1 OUTLIER -68.16 -28.43 67.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 110.289 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.575 ' CB ' ' O ' ' A' ' 135' ' ' LEU . . . -66.85 -41.04 88.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' TYR . . . . . 0.401 ' CE1' ' O ' ' A' ' 90' ' ' PHE . 4.0 m-85 -87.71 -31.09 19.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . 0.427 ' HB2' ' O ' ' A' ' 137' ' ' ALA . 0.0 OUTLIER -70.88 -48.56 53.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.336 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 179.961 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.581 HG12 ' CD2' ' A' ' 47' ' ' PHE . 10.7 mt -60.15 -45.41 95.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.418 1.074 . . . . 0.0 109.275 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.3 mt -57.86 -37.04 73.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.432 ' HG ' ' N ' ' A' ' 13' ' ' PHE . 0.1 OUTLIER -60.16 -52.29 65.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.351 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.432 ' N ' ' HG ' ' A' ' 12' ' ' LEU . 20.2 m-85 -63.95 -28.13 69.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.972 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -65.71 -59.85 3.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.508 ' HG3' ' N ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -50.8 -30.78 15.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 110.291 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.508 ' N ' ' HG3' ' A' ' 15' ' ' GLN . 23.9 mt -71.49 -52.99 22.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.4 ttt180 -55.41 -54.11 47.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.316 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -50.59 -55.03 18.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.108 . . . . 0.0 110.313 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.553 ' HA ' ' OD1' ' A' ' 22' ' ' ASN . 0.2 OUTLIER -57.45 -43.15 83.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.534 ' HB2' ' CG ' ' A' ' 37' ' ' TRP . . . -50.6 -43.19 56.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.644 ' HG2' ' CZ2' ' A' ' 37' ' ' TRP . 2.0 mt-10 -66.74 -39.43 87.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.321 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.553 ' OD1' ' HA ' ' A' ' 19' ' ' ASP . 0.1 OUTLIER -73.99 -36.38 64.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.445 ' N ' ' O ' ' A' ' 19' ' ' ASP . 0.5 OUTLIER -63.62 -23.61 67.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.158 . . . . 0.0 110.402 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.419 ' CD1' ' HZ3' ' A' ' 37' ' ' TRP . 0.1 OUTLIER -54.81 -60.57 3.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 110.993 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.03 -24.38 67.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.39 -32.46 60.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.982 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.506 ' O ' ' CG ' ' A' ' 30' ' ' ASP . 0.6 OUTLIER -168.97 82.13 0.69 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 24.16 0.39 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.467 1.772 . . . . 0.0 110.937 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.496 ' H ' ' C ' ' A' ' 27' ' ' ASN . 12.4 mt -132.72 13.11 4.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.506 ' CG ' ' O ' ' A' ' 27' ' ' ASN . 5.6 p30 -90.79 99.78 12.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.107 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.79 -23.93 61.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -69.95 -54.86 11.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -71.17 -35.12 71.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.495 ' CD1' ' HG2' ' A' ' 63' ' ' LYS . 0.6 OUTLIER -63.95 -52.57 59.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.1 m -58.2 -36.37 73.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.575 1.172 . . . . 0.0 110.357 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.36 -32.77 70.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.44 1.087 . . . . 0.0 110.3 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.644 ' CZ2' ' HG2' ' A' ' 21' ' ' GLU . 6.6 t90 -57.63 -27.05 62.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 107.996 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.583 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -84.26 -57.42 2.36 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.533 1.146 . . . . 0.0 111.032 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -42.55 -44.23 5.21 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.401 HG23 ' CD1' ' A' ' 13' ' ' PHE . 9.5 p -67.35 -43.4 87.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.544 0.791 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.444 HD12 ' CG ' ' A' ' 59' ' ' GLU . 17.1 mt -55.8 -49.45 73.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.118 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.4 mt -54.89 -39.88 69.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -62.37 -58.04 9.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.282 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.473 ' CB ' ' HE1' ' A' ' 56' ' ' MET . 25.9 mt -61.99 -25.07 67.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.98 -42.97 73.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 110.005 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.421 ' HG2' ' N ' ' A' ' 47' ' ' PHE . 3.0 pt20 -67.81 -36.66 80.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.299 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.581 ' CD2' HG12 ' A' ' 10' ' ' ILE . 22.8 m-85 -75.72 -28.66 58.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 111.043 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 29.9 m-70 -90.18 142.47 27.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.594 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 53' ' ' ALA . 83.0 p -49.52 160.16 0.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.978 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.48 HG13 ' CD2' ' A' ' 91' ' ' LEU . 1.0 OUTLIER -51.5 -51.92 22.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.427 ' N ' HG23 ' A' ' 50' ' ' ILE . 21.7 t -44.59 -56.5 4.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 110.013 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.09 -28.9 64.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 49' ' ' SER . . . -58.56 -54.42 47.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.417 ' CD ' HG21 ' A' ' 50' ' ' ILE . 0.4 OUTLIER -51.49 -57.92 7.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -53.96 -43.2 69.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.303 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.473 ' HE1' ' CB ' ' A' ' 44' ' ' LEU . 2.4 mmm -63.8 -36.94 85.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.984 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.422 ' CG2' ' HB2' ' A' ' 88' ' ' PHE . 9.6 mt -72.83 -50.69 31.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.435 ' NE2' ' CE2' ' A' ' 88' ' ' PHE . 1.5 mt-30 -45.98 -54.96 7.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.314 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.444 ' CG ' HD12 ' A' ' 41' ' ' LEU . 3.9 pt-20 -63.6 -35.07 79.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.158 . . . . 0.0 110.337 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.77 -32.51 70.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.446 ' CD1' ' HB2' ' A' ' 84' ' ' ALA . 0.6 OUTLIER -73.43 -54.12 16.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 59' ' ' GLU . 20.4 p -49.97 -31.41 12.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.39 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.495 ' HG2' ' CD1' ' A' ' 34' ' ' LEU . 0.1 OUTLIER -66.27 -54.25 27.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 109.345 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.583 ' CE1' ' HA3' ' A' ' 38' ' ' GLY . 21.3 m-85 -56.45 -39.81 73.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.536 1.148 . . . . 0.0 110.958 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -50.14 -56.01 12.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.466 ' HG2' ' CD2' ' A' ' 34' ' ' LEU . 2.5 tt0 -65.83 -37.78 87.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.279 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.48 ' CB ' ' HG ' ' A' ' 34' ' ' LEU . . . -60.95 -38.19 84.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.1 mt -65.51 -32.62 74.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.37 -33.52 76.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.485 ' CG2' ' O ' ' A' ' 29' ' ' LEU . 4.6 mt -76.32 -38.69 33.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -147.31 105.56 3.81 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -18.12 18.98 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.477 1.778 . . . . 0.0 110.998 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.6 ptmt -82.88 1.75 37.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.52 76.69 0.57 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.273 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.09 -29.38 30.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.475 ' HG3' ' CE3' ' A' ' 79' ' ' TRP . 1.5 tp10 -67.14 -51.2 56.89 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 110.324 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -53.37 -32.23 48.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.469 ' CG1' ' HB2' ' A' ' 111' ' ' GLN . 40.7 t -74.52 -53.52 16.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.523 ' CZ3' ' SG ' ' A' ' 80' ' ' CYS . 0.4 OUTLIER -58.57 -47.56 83.85 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.574 ' HB3' ' CZ ' ' A' ' 64' ' ' PHE . 0.5 OUTLIER -50.77 -53.1 34.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 108.314 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.556 HG22 ' CE2' ' A' ' 85' ' ' TYR . 56.8 mt -51.94 -37.45 21.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.468 ' CA ' ' HB2' ' A' ' 105' ' ' ALA . . . -71.31 -44.36 52.46 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.522 1.139 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -64.56 -31.16 72.26 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.518 0.775 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.446 ' HB2' ' CD1' ' A' ' 61' ' ' ILE . . . -69.88 -55.5 9.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.556 ' CE2' HG22 ' A' ' 81' ' ' ILE . 8.7 m-85 -57.06 -44.72 83.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 26.7 m -54.97 -52.43 63.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 0.0 110.43 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.5 m -61.45 -51.52 68.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 109.975 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.435 ' CE2' ' NE2' ' A' ' 58' ' ' GLN . 43.2 t80 -53.33 -34.15 56.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.974 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.562 ' HB2' ' CE2' ' A' ' 102' ' ' PHE . . . -63.87 -49.32 73.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.331 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -55.76 -20.07 13.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 111.022 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.48 ' CD2' HG13 ' A' ' 50' ' ' ILE . 23.0 mt -94.29 -16.96 23.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.402 ' O ' ' NE2' ' A' ' 136' ' ' HIS . 0.9 OUTLIER -97.22 118.08 64.97 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.444 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.459 ' HA ' ' CE2' ' A' ' 140' ' ' TYR . 18.3 Cg_endo -74.93 -22.6 14.79 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.485 1.781 . . . . 0.0 110.987 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.81 105.96 1.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -54.96 -46.75 75.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 110.301 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.4 m -52.77 -57.99 8.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.381 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -65.25 -50.36 66.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 110.321 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -52.61 -54.2 36.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.331 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 29.8 tttt -60.43 -49.26 78.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.447 ' CD2' ' C ' ' A' ' 100' ' ' HIS . 1.4 t60 -51.99 -47.62 64.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 109.617 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.85 -47.47 65.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.565 ' CD1' ' HB1' ' A' ' 132' ' ' ALA . 1.4 m-85 -55.53 -42.31 74.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.42 -19.48 60.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.44 ' O ' ' CG ' ' A' ' 107' ' ' GLN . 0.1 OUTLIER -72.21 -48.39 43.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.344 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.468 ' HB2' ' CA ' ' A' ' 82' ' ' GLY . . . -56.91 -31.39 64.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.337 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.2 m -60.43 -56.11 25.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 110.372 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.44 ' CG ' ' O ' ' A' ' 104' ' ' LEU . 2.0 pt20 -56.75 -23.14 40.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -82.51 -48.56 10.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.474 ' CB ' HD12 ' A' ' 126' ' ' LEU . 16.1 m-85 -54.98 -19.85 7.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.955 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -74.26 -26.76 60.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 110.275 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.469 ' HB2' ' CG1' ' A' ' 78' ' ' VAL . 37.8 mt-30 -81.52 -43.76 18.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.282 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.61 -47.71 84.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.318 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 117' ' ' PRO . 5.6 m -67.88 -38.65 80.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.21 -48.43 12.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -63.99 -40.37 96.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.315 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -161.8 90.39 1.45 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.27 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.457 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.3 Cg_endo -74.97 -4.17 15.01 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.464 1.771 . . . . 0.0 111.022 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -86.76 -4.36 59.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -79.96 108.07 13.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' THR . . . . . 0.452 ' O ' HD13 ' A' ' 123' ' ' LEU . 1.9 t -52.96 -27.32 18.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 110.399 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -61.11 -45.53 94.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.624 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.453 ' HB3' ' CG1' ' A' ' 113' ' ' VAL . 14.8 m-30 -79.12 -36.65 40.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.536 ' C ' ' CD2' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -59.22 -44.59 92.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.435 ' N ' ' CD1' ' A' ' 123' ' ' LEU . 2.8 tptt -67.68 -47.42 69.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' SER . . . . . 0.434 ' HB3' ' CE1' ' A' ' 109' ' ' PHE . 0.5 OUTLIER -57.79 -49.37 76.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.999 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.474 HD12 ' CB ' ' A' ' 109' ' ' PHE . 28.5 tp -68.91 -38.13 79.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.443 ' CB ' ' O ' ' A' ' 123' ' ' LEU . 1.0 OUTLIER -66.67 -36.35 82.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 110.312 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 7.2 mmm -71.07 -41.98 70.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 111.008 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -59.32 -22.62 61.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 110.37 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -41.85 -59.85 1.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.508 ' O ' ' CG ' ' A' ' 135' ' ' LEU . 12.2 mttt -90.53 45.27 1.25 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . 0.641 ' N ' ' CD ' ' A' ' 133' ' ' PRO . . . -63.63 -44.47 80.79 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.336 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' PRO . . . . . 0.641 ' CD ' ' N ' ' A' ' 132' ' ' ALA . 18.4 Cg_endo -74.99 -29.93 7.71 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.485 1.782 . . . . 0.0 111.026 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . 0.465 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 46.1 mm-40 -80.66 -47.0 14.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 110.275 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.586 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 6.9 mt -51.04 -42.84 60.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' HIS . . . . . 0.565 ' HB2' ' CE2' ' A' ' 102' ' ' PHE . 56.8 t-80 -66.21 -44.35 84.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.603 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . 0.537 ' O ' ' CB ' ' A' ' 141' ' ' LYS . . . -61.96 -52.69 62.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.5 ' O ' ' CB ' ' A' ' 142' ' ' GLN . 0.0 OUTLIER -69.24 -26.73 64.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.293 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.586 ' CB ' ' O ' ' A' ' 135' ' ' LEU . . . -66.9 -49.66 64.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.243 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' TYR . . . . . 0.507 ' CE1' ' CD2' ' A' ' 136' ' ' HIS . 5.5 m-85 -83.34 -43.09 16.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . 0.537 ' CB ' ' O ' ' A' ' 137' ' ' ALA . 0.0 OUTLIER -61.1 -48.08 83.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.33 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . 0.5 ' CB ' ' O ' ' A' ' 138' ' ' GLU . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.27 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.457 ' CG ' ' CE2' ' A' ' 13' ' ' PHE . 10.1 ttm180 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.578 HD11 ' CD1' ' A' ' 47' ' ' PHE . 42.8 mt -68.19 -45.17 83.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.42 1.075 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.6 mt -54.9 -38.94 68.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.268 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.496 ' CD1' ' CD1' ' A' ' 16' ' ' ILE . 0.1 OUTLIER -64.06 -48.71 75.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.523 ' CD1' HG21 ' A' ' 40' ' ' VAL . 12.5 m-85 -63.77 -28.33 69.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -66.53 -59.54 3.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 110.304 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.485 ' HG3' ' N ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -51.84 -28.47 15.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.26 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.496 ' CD1' ' CD1' ' A' ' 12' ' ' LEU . 5.3 mt -71.9 -53.3 20.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.44 -58.93 4.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 110.329 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.423 ' HG3' ' O ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -53.77 -42.31 68.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 110.274 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 23' ' ' THR . 0.2 OUTLIER -63.11 -34.14 76.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.112 . . . . 0.0 109.319 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.535 ' HB3' ' CG ' ' A' ' 37' ' ' TRP . . . -66.34 -47.97 71.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.667 ' HG2' ' CZ2' ' A' ' 37' ' ' TRP . 2.8 mt-10 -58.91 -42.65 90.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.441 ' C ' ' ND2' ' A' ' 22' ' ' ASN . 1.0 OUTLIER -75.44 -36.14 60.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.334 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 19' ' ' ASP . 2.7 m -62.18 -25.56 67.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.451 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.464 ' O ' ' CD ' ' A' ' 28' ' ' PRO . 0.1 OUTLIER -54.5 -60.85 2.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 110.979 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.429 ' CE ' ' HA ' ' A' ' 22' ' ' ASN . 0.0 OUTLIER -63.48 -28.99 70.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.61 -38.22 73.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 110.009 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' A' ' 23' ' ' THR . 1.5 t30 -169.52 84.35 0.62 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.464 ' CD ' ' O ' ' A' ' 24' ' ' TYR . 18.4 Cg_endo -74.97 -0.72 10.3 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.494 1.787 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.498 ' O ' ' CG2' ' A' ' 70' ' ' ILE . 8.3 mt -91.92 -21.99 20.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.409 ' O ' ' HB2' ' A' ' 34' ' ' LEU . 0.9 OUTLIER -66.99 97.96 0.53 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.11 . . . . 0.0 109.324 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.95 -21.93 61.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -65.6 -52.49 51.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.409 ' CG ' HG23 ' A' ' 23' ' ' THR . 0.5 OUTLIER -69.42 -34.61 74.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.266 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.513 ' CD2' ' HG3' ' A' ' 63' ' ' LYS . 0.5 OUTLIER -66.69 -35.68 80.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 0.0 109.303 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.6 m -72.78 -39.03 67.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 110.396 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.2 ptt180 -70.46 -20.14 62.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.098 . . . . 0.0 110.324 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.667 ' CZ2' ' HG2' ' A' ' 21' ' ' GLU . 6.2 t90 -67.42 -27.08 66.76 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.612 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -86.26 -60.7 1.71 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -39.58 -41.75 1.78 Allowed Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.523 HG21 ' CD1' ' A' ' 13' ' ' PHE . 5.7 p -67.4 -50.71 59.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.51 0.771 . . . . 0.0 109.253 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.457 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 45.0 mt -52.15 -42.29 63.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 24.0 mt -65.49 -35.15 80.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -65.68 -57.48 7.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.509 ' HB3' ' CD2' ' A' ' 48' ' ' HIS . 21.5 mt -52.66 -29.71 27.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.427 ' HA ' ' HB2' ' A' ' 48' ' ' HIS . 0.3 OUTLIER -56.32 -16.94 6.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 109.974 -179.939 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -68.23 -7.04 27.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 110.263 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.642 ' CG ' ' O ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -157.83 21.09 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 110.985 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.587 ' O ' ' O ' ' A' ' 49' ' ' SER . 0.4 OUTLIER -108.69 46.24 0.98 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.59 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.587 ' O ' ' O ' ' A' ' 48' ' ' HIS . 66.9 m 41.12 -173.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.994 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.473 HG22 ' CD ' ' A' ' 54' ' ' LYS . 0.2 OUTLIER -83.06 -52.82 12.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.431 ' N ' HG21 ' A' ' 50' ' ' ILE . 91.7 p -51.28 -57.23 9.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.97 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.452 ' O ' ' CG ' ' A' ' 56' ' ' MET . 0.2 OUTLIER -62.16 -32.08 72.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' A' ' 49' ' ' SER . . . -66.53 -46.16 77.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.473 ' CD ' HG22 ' A' ' 50' ' ' ILE . 38.9 mtpt -62.49 -59.15 5.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.512 ' HG3' ' N ' ' A' ' 56' ' ' MET . 0.0 OUTLIER -53.56 -36.18 61.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.276 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.544 ' SD ' ' CG ' ' A' ' 48' ' ' HIS . 64.6 mtp -71.08 -37.05 72.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 8.8 mt -71.42 -51.83 30.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.4 ' HG2' ' CE2' ' A' ' 88' ' ' PHE . 3.4 mt-30 -45.19 -54.41 6.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.449 ' OE2' ' CD1' ' A' ' 41' ' ' LEU . 4.8 pt-20 -66.48 -36.39 82.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.425 ' N ' ' HG2' ' A' ' 59' ' ' GLU . . . -58.67 -27.96 65.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.488 HD13 ' CE1' ' A' ' 85' ' ' TYR . 1.4 mt -80.1 -52.3 14.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.296 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 68.0 p -50.11 -31.65 13.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.097 . . . . 0.0 110.401 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.555 ' HE2' ' CH2' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -72.29 -45.37 60.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.612 ' CE1' ' HA3' ' A' ' 38' ' ' GLY . 19.4 m-30 -56.4 -42.84 78.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.54 1.15 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -52.93 -54.68 31.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.283 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.42 ' HA ' ' CD1' ' A' ' 69' ' ' LEU . 0.4 OUTLIER -56.47 -37.05 69.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 110.326 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.79 -44.77 88.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 16.2 mt -59.33 -33.07 70.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.42 ' CD1' ' HA ' ' A' ' 66' ' ' GLU . 0.8 OUTLIER -63.54 -40.07 96.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.344 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.498 ' CG2' ' O ' ' A' ' 29' ' ' LEU . 5.8 mt -66.72 -44.45 89.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -152.82 114.01 2.76 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -4.5 15.49 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.443 1.759 . . . . 0.0 111.004 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 75' ' ' ASP . 20.1 mmtt -82.9 -6.37 59.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -66.11 75.33 0.09 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.3 OUTLIER -55.76 -29.01 58.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 179.922 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.417 ' HG3' ' CE3' ' A' ' 79' ' ' TRP . 34.2 tt0 -68.0 -51.5 46.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.314 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.22 -32.27 35.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.451 ' CG1' ' HB2' ' A' ' 111' ' ' GLN . 36.7 t -74.59 -52.89 18.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.557 ' CZ3' ' SG ' ' A' ' 80' ' ' CYS . 0.4 OUTLIER -59.11 -50.13 75.23 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.575 ' HB3' ' CZ ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -50.66 -51.2 51.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 108.313 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.562 HG21 ' CZ ' ' A' ' 108' ' ' PHE . 35.7 mt -51.88 -33.75 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.426 ' CA ' ' HB2' ' A' ' 105' ' ' ALA . . . -75.94 -46.51 13.49 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.464 1.102 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -62.52 -29.33 70.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 0.772 . . . . 0.0 109.313 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.92 -55.43 9.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.488 ' CE1' HD13 ' A' ' 61' ' ' ILE . 12.0 m-85 -57.84 -44.28 86.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 74.7 m -54.87 -48.52 72.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.432 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.5 m -66.1 -51.62 56.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 110.006 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.411 ' CE2' ' HB3' ' A' ' 54' ' ' LYS . 41.6 t80 -54.91 -38.55 67.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 111.008 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.584 ' HB3' ' CD2' ' A' ' 102' ' ' PHE . . . -56.12 -52.6 63.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.404 ' CZ ' ' HZ ' ' A' ' 102' ' ' PHE . 39.3 m-85 -54.01 -23.86 14.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.979 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.472 ' CD2' HG13 ' A' ' 50' ' ' ILE . 22.0 mt -88.5 -20.26 25.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -97.18 118.79 64.29 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 110.383 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.506 ' HA ' ' CE2' ' A' ' 140' ' ' TYR . 18.2 Cg_endo -75.08 -26.09 11.13 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.497 1.788 . . . . 0.0 110.968 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -58.83 87.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 93' ' ' PRO . 91.5 mt-10 -40.6 -46.93 2.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.449 ' CG2' ' N ' ' A' ' 97' ' ' GLU . 13.4 t -52.64 -53.17 50.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.384 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.449 ' N ' ' CG2' ' A' ' 96' ' ' THR . 4.8 mm-40 -70.65 -49.91 42.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.295 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -52.93 -54.48 34.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.33 -51.89 67.58 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -49.21 -49.18 44.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.632 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . 0.426 ' OD1' ' CD1' ' A' ' 85' ' ' TYR . 0.5 OUTLIER -67.03 -46.89 73.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.595 ' CE2' ' HB2' ' A' ' 136' ' ' HIS . 0.9 OUTLIER -55.24 -42.75 73.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.03 -22.01 59.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.99 -45.13 62.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.143 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.426 ' HB2' ' CA ' ' A' ' 82' ' ' GLY . . . -53.23 -33.95 55.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.475 ' OG1' ' CG2' ' A' ' 129' ' ' THR . 19.8 m -61.24 -55.63 29.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 110.413 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -50.84 -27.33 7.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 110.254 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.562 ' CZ ' HG21 ' A' ' 81' ' ' ILE . 16.4 m-85 -83.27 -48.39 10.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 110.955 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -55.2 -22.34 17.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.448 1.093 . . . . 0.0 111.013 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -74.32 -25.79 59.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.28 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.451 ' HB2' ' CG1' ' A' ' 78' ' ' VAL . 36.0 mt-30 -81.74 -41.52 21.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.331 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -57.69 -48.72 78.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.138 . . . . 0.0 109.3 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 117' ' ' PRO . 4.2 m -66.77 -39.57 83.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.15 -45.91 11.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -69.67 -38.37 77.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.347 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -159.58 89.16 1.97 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 110.297 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.457 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.2 Cg_endo -75.0 -3.52 14.05 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.513 1.796 . . . . 0.0 111.009 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -87.3 -12.07 47.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -65.16 111.08 2.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 72.0 p -57.46 -23.81 51.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.399 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . 0.448 ' H ' ' CD2' ' A' ' 121' ' ' HIS . 3.9 m-70 -70.28 -58.61 3.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.564 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.408 ' N ' ' CD1' ' A' ' 122' ' ' TYR . 12.4 m-30 -57.91 -34.62 70.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.5 ' C ' ' CD2' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -59.31 -50.33 74.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.431 1.082 . . . . 0.0 109.299 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.409 ' N ' HD12 ' A' ' 123' ' ' LEU . 13.4 tptt -62.63 -43.14 99.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.99 -48.51 75.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.064 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 32.6 tp -70.79 -44.88 65.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.66 -47.09 70.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 110.331 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' MET . . . . . 0.406 ' CE ' HD12 ' A' ' 135' ' ' LEU . 2.2 mmm -67.62 -39.3 84.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 110.972 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.475 ' CG2' ' OG1' ' A' ' 106' ' ' THR . 0.3 OUTLIER -60.47 -19.63 57.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.403 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -47.08 -49.85 20.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.418 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 2.8 mtmt -101.89 42.93 1.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . 0.544 ' N ' ' CD ' ' A' ' 133' ' ' PRO . . . -59.64 -50.31 87.59 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' PRO . . . . . 0.544 ' CD ' ' N ' ' A' ' 132' ' ' ALA . 18.3 Cg_endo -74.99 -24.15 13.12 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.504 1.792 . . . . 0.0 111.027 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 42.3 tp60 -80.18 -47.24 14.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 110.314 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.589 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 16.8 mt -54.38 -37.93 65.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' HIS . . . . . 0.595 ' HB2' ' CE2' ' A' ' 102' ' ' PHE . 56.4 t-80 -67.12 -43.63 81.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.582 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . 0.549 ' O ' ' CB ' ' A' ' 141' ' ' LYS . . . -62.06 -53.32 57.14 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.494 ' CG ' ' HA ' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -69.05 -30.55 68.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.589 ' CB ' ' O ' ' A' ' 135' ' ' LEU . . . -58.44 -50.34 74.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' TYR . . . . . 0.506 ' CE2' ' HA ' ' A' ' 93' ' ' PRO . 6.9 m-85 -86.43 -40.93 14.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.964 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . 0.549 ' CB ' ' O ' ' A' ' 137' ' ' ALA . 0.0 OUTLIER -58.07 -48.01 81.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 110.277 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.4 ttm-85 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.34 -0.245 . . . . 0.0 110.34 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.516 HD11 ' CG ' ' A' ' 47' ' ' PHE . 42.5 mt -65.39 -41.33 90.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.4 mt -57.61 -44.77 85.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.474 ' HG ' ' N ' ' A' ' 13' ' ' PHE . 0.1 OUTLIER -57.97 -46.43 85.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.483 ' CD1' HG23 ' A' ' 40' ' ' VAL . 6.4 m-85 -64.0 -37.07 86.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 110.985 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -60.43 -57.26 13.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 1.085 . . . . 0.0 110.268 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.516 ' HG3' ' N ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -53.62 -27.81 29.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.289 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.516 ' N ' ' HG3' ' A' ' 15' ' ' GLN . 52.1 mt -71.4 -53.5 20.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.3 ttp180 -52.44 -51.71 57.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.321 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.43 ' NE2' ' OD1' ' A' ' 22' ' ' ASN . 2.6 tp60 -55.06 -54.77 38.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 110.326 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 23' ' ' THR . 0.1 OUTLIER -57.93 -37.18 73.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.53 ' HB1' ' CG ' ' A' ' 37' ' ' TRP . . . -56.5 -43.21 79.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.618 ' HG2' ' CZ2' ' A' ' 37' ' ' TRP . 3.0 mt-10 -66.51 -38.24 86.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.425 1.078 . . . . 0.0 110.292 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.43 ' OD1' ' NE2' ' A' ' 18' ' ' GLN . 1.1 m120 -73.72 -33.54 64.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 27' ' ' ASN . 2.2 m -63.29 -22.74 67.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.396 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.404 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -64.74 -61.67 2.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 111.007 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.6 -23.99 67.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.74 -40.36 29.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.138 . . . . 0.0 110.007 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 23' ' ' THR . 2.2 m-20 -168.11 89.41 0.67 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 0.35 9.0 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.499 1.789 . . . . 0.0 111.01 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.524 ' O ' ' CG2' ' A' ' 70' ' ' ILE . 18.8 mt -90.42 -21.45 21.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.411 ' O ' ' HB2' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -64.54 98.34 0.25 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.429 1.081 . . . . 0.0 109.302 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -74.66 -45.06 47.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.339 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -48.98 -50.46 35.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.568 1.168 . . . . 0.0 109.293 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.433 ' CB ' HG21 ' A' ' 23' ' ' THR . 0.7 OUTLIER -66.28 -46.17 77.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.477 ' CD2' ' O ' ' A' ' 63' ' ' LYS . 0.2 OUTLIER -52.8 -50.32 63.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.448 ' CG2' ' HG2' ' A' ' 76' ' ' GLU . 72.4 m -57.68 -35.82 71.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 110.38 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.482 ' HD3' ' CG2' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -70.31 -26.31 63.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.618 ' CZ2' ' HG2' ' A' ' 21' ' ' GLU . 5.9 t90 -65.44 -28.16 69.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 108.035 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.626 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -83.28 -60.1 2.06 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -42.02 -44.46 4.7 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.483 HG23 ' CD1' ' A' ' 13' ' ' PHE . 5.1 p -67.43 -38.97 81.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.475 HD11 ' CG ' ' A' ' 59' ' ' GLU . 14.8 mt -60.96 -42.64 98.66 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.259 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 17.7 mt -65.59 -36.95 85.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -65.79 -58.34 5.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.253 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 71.8 mt -60.61 -30.23 69.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.264 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -53.66 -37.81 63.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.004 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.456 ' HG2' ' N ' ' A' ' 47' ' ' PHE . 0.4 OUTLIER -68.05 -37.48 81.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.516 ' CG ' HD11 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -78.28 -22.64 47.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 111.027 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.452 ' O ' ' HB3' ' A' ' 49' ' ' SER . 0.4 OUTLIER -78.88 -93.5 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.502 1.126 . . . . 0.0 109.601 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.503 ' O ' ' N ' ' A' ' 53' ' ' ALA . 35.1 p 177.66 153.39 0.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.959 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.452 HG23 ' CD ' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -48.27 -46.84 13.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 109.347 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.431 ' N ' HG22 ' A' ' 50' ' ' ILE . 47.9 t -47.12 -57.64 4.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 109.982 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.416 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 24.1 m-20 -75.02 -45.07 44.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.503 ' N ' ' O ' ' A' ' 49' ' ' SER . . . -45.25 -36.11 3.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.452 ' CD ' HG23 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -65.47 -58.37 5.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.416 ' HG2' ' O ' ' A' ' 52' ' ' ASP . 6.6 pt20 -62.46 -36.09 81.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.312 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 82.8 mtp -67.6 -32.36 73.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.964 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.441 ' CG2' ' HB2' ' A' ' 88' ' ' PHE . 22.1 mt -71.84 -46.12 62.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -51.24 -51.23 55.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.302 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.475 ' CG ' HD11 ' A' ' 41' ' ' LEU . 2.4 pt-20 -66.69 -35.22 79.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 110.323 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.432 ' N ' ' HG2' ' A' ' 59' ' ' GLU . . . -59.72 -32.45 70.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.55 HD13 ' CD1' ' A' ' 85' ' ' TYR . 0.4 OUTLIER -69.87 -57.28 8.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.234 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 72.0 p -49.19 -35.57 17.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.396 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.477 ' O ' ' CD2' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -62.4 -42.55 99.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.948 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.626 ' CE1' ' HA3' ' A' ' 38' ' ' GLY . 21.3 m-85 -67.04 -40.43 87.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.974 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -50.71 -55.46 16.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.314 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.408 ' O ' ' HB2' ' A' ' 69' ' ' LEU . 4.9 tt0 -57.55 -35.27 70.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.327 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.422 ' HB2' ' HB3' ' A' ' 34' ' ' LEU . . . -66.2 -46.5 77.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.1 mt -57.34 -28.98 63.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.408 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 0.9 OUTLIER -68.61 -45.14 72.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.254 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.524 ' CG2' ' O ' ' A' ' 29' ' ' LEU . 5.0 mt -65.63 -43.05 94.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 109.25 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -144.11 110.06 5.07 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -19.36 17.92 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.494 1.786 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -82.78 3.35 29.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -67.92 77.41 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.1 -30.54 26.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.448 ' HG2' ' CG2' ' A' ' 35' ' ' THR . 72.9 tt0 -67.18 -52.76 37.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 110.364 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.16 -32.79 37.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.441 ' CG1' ' HB2' ' A' ' 111' ' ' GLN . 14.7 t -74.6 -53.59 16.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.501 ' CZ3' ' SG ' ' A' ' 80' ' ' CYS . 0.3 OUTLIER -58.2 -46.74 85.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 108.03 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 64' ' ' PHE . 0.5 OUTLIER -50.6 -54.17 24.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 108.282 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.599 ' CG2' ' CE2' ' A' ' 85' ' ' TYR . 68.9 mt -51.91 -39.49 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.485 ' CA ' ' HB2' ' A' ' 105' ' ' ALA . . . -68.78 -41.11 84.32 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.52 1.137 . . . . 0.0 111.043 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.472 ' OD1' ' CD1' ' A' ' 79' ' ' TRP . 3.1 m120 -64.46 -37.99 89.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 0.765 . . . . 0.0 109.347 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.81 -55.29 24.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.599 ' CE2' ' CG2' ' A' ' 81' ' ' ILE . 13.0 m-85 -58.45 -47.03 85.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.957 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 42.5 m -57.99 -46.76 84.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 110.395 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.412 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 2.0 m -66.92 -52.09 47.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.0 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.441 ' HB2' ' CG2' ' A' ' 57' ' ' ILE . 40.7 t80 -52.27 -35.18 49.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 111.03 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.574 ' HB3' ' CE2' ' A' ' 102' ' ' PHE . . . -58.51 -49.38 77.57 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.408 ' O ' ' OH ' ' A' ' 140' ' ' TYR . 38.3 m-85 -58.01 -21.51 45.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 0.0 111.013 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.478 ' O ' ' HD3' ' A' ' 93' ' ' PRO . 1.4 mt -95.82 -4.14 44.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.452 ' O ' ' NE2' ' A' ' 136' ' ' HIS . 1.2 m -98.32 106.38 35.29 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.382 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.508 ' HA ' ' CE2' ' A' ' 140' ' ' TYR . 18.5 Cg_endo -74.99 -13.15 21.51 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.437 1.756 . . . . 0.0 111.049 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.633 ' O ' ' CB ' ' A' ' 95' ' ' GLU . 0.2 OUTLIER -58.29 -50.08 74.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.095 . . . . 0.0 109.309 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.633 ' CB ' ' O ' ' A' ' 94' ' ' ASP . 3.3 mm-40 97.68 -56.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 110.274 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -57.7 -40.22 79.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 110.414 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -75.89 -35.62 59.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.289 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.5 ' HB2' ' CD2' ' A' ' 136' ' ' HIS . . . -68.39 -52.88 28.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 10.3 tttt -56.0 -51.65 67.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.522 ' CD2' ' C ' ' A' ' 100' ' ' HIS . 0.2 OUTLIER -52.79 -44.07 66.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.555 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -62.12 -52.65 63.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.574 ' CE2' ' HB3' ' A' ' 89' ' ' ALA . 7.8 m-85 -50.99 -44.77 60.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.74 -19.33 62.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.7 -47.52 16.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.524 ' CB ' ' CZ ' ' A' ' 109' ' ' PHE . . . -58.37 -24.46 59.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 3.1 m -61.15 -55.79 28.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.401 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.41 ' HG3' ' N ' ' A' ' 108' ' ' PHE . 1.0 OUTLIER -57.12 -23.31 46.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.279 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.501 ' CZ ' HG21 ' A' ' 81' ' ' ILE . 13.5 m-85 -82.6 -47.29 12.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.524 ' CZ ' ' CB ' ' A' ' 105' ' ' ALA . 20.0 m-30 -53.33 -32.06 47.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 111.042 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.409 ' NE2' ' HA ' ' A' ' 110' ' ' GLN . 1.4 tp60 -59.94 -30.2 68.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.248 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.441 ' HB2' ' CG1' ' A' ' 78' ' ' VAL . 56.5 mt-30 -81.55 -42.71 19.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.325 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.542 ' O ' ' CD2' ' A' ' 122' ' ' TYR . . . -61.98 -49.18 77.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.262 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.475 ' O ' ' N ' ' A' ' 117' ' ' PRO . 10.1 m -67.37 -33.55 63.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -44.99 -45.04 10.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.417 ' C ' ' HG2' ' A' ' 116' ' ' GLN . 61.3 mm-40 -75.08 -44.97 44.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.294 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.417 ' HG2' ' C ' ' A' ' 115' ' ' GLU . 1.4 mm-40 -139.16 83.26 18.08 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.258 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.475 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.4 Cg_endo -74.96 -14.56 21.19 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.507 1.793 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -92.59 -12.14 32.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -61.33 120.91 11.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 38.1 p -56.97 -30.44 64.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.376 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . 0.429 ' CD2' ' H ' ' A' ' 121' ' ' HIS . 4.7 m-70 -70.27 -59.68 2.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.576 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.542 ' CD2' ' O ' ' A' ' 112' ' ' ALA . 10.6 m-30 -60.41 -23.33 64.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 111.03 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.566 ' C ' ' CD2' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -73.32 -45.8 53.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.1 . . . . 0.0 109.265 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.432 ' N ' HD11 ' A' ' 123' ' ' LEU . 12.1 tptt -58.5 -44.54 89.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.55 -43.34 89.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.008 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.437 ' O ' ' OG1' ' A' ' 129' ' ' THR . 45.0 tp -71.18 -40.36 71.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.274 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.99 -34.47 76.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.279 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' MET . . . . . 0.424 ' N ' ' O ' ' A' ' 124' ' ' LYS . 0.6 OUTLIER -54.66 -32.41 59.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' A' ' 126' ' ' LEU . 20.8 p -63.49 -34.04 76.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.359 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 129' ' ' THR . . . -39.75 -46.5 1.91 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.168 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -123.63 46.22 2.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . 0.539 ' N ' ' CD ' ' A' ' 133' ' ' PRO . . . -64.82 -50.41 63.72 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' PRO . . . . . 0.539 ' CD ' ' N ' ' A' ' 132' ' ' ALA . 18.3 Cg_endo -74.97 -25.58 11.78 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.475 1.776 . . . . 0.0 110.987 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . 0.451 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 8.1 mm-40 -80.52 -51.01 9.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 110.276 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.547 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 37.5 mt -48.43 -42.3 31.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' HIS . . . . . 0.577 ' CE1' ' HA ' ' A' ' 95' ' ' GLU . 58.9 t-80 -67.07 -45.06 78.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.637 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . 0.523 ' O ' ' CB ' ' A' ' 141' ' ' LYS . . . -61.79 -53.13 60.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.483 ' CG ' ' HA ' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -68.45 -27.77 66.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.243 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.547 ' CB ' ' O ' ' A' ' 135' ' ' LEU . . . -59.02 -53.15 61.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' TYR . . . . . 0.508 ' CE2' ' HA ' ' A' ' 93' ' ' PRO . 10.5 m-85 -85.37 -41.39 15.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.977 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . 0.523 ' CB ' ' O ' ' A' ' 137' ' ' ALA . 2.6 tmmm? -57.95 -48.07 81.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . 0.428 ' CB ' ' O ' ' A' ' 138' ' ' GLU . 2.2 tp60 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.422 1.076 . . . . 0.0 110.331 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.454 ' CG ' ' CE2' ' A' ' 13' ' ' PHE . 8.6 ttm180 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.581 HG21 ' CE1' ' A' ' 47' ' ' PHE . 1.7 mt -66.49 -42.18 89.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.0 mt -53.72 -38.83 64.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.46 ' HG ' ' N ' ' A' ' 13' ' ' PHE . 0.1 OUTLIER -68.67 -46.04 70.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.561 ' CE2' ' HB3' ' A' ' 43' ' ' GLU . 7.7 m-85 -63.87 -29.57 70.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -64.02 -53.96 41.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.508 ' HG3' ' N ' ' A' ' 16' ' ' ILE . 0.9 OUTLIER -56.78 -31.28 64.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.508 ' N ' ' HG3' ' A' ' 15' ' ' GLN . 41.5 mt -71.66 -45.38 67.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -52.79 -53.87 42.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.268 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.495 ' HG3' ' N ' ' A' ' 19' ' ' ASP . 7.8 pt20 -63.27 -36.94 85.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.326 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.495 ' N ' ' HG3' ' A' ' 18' ' ' GLN . 0.5 OUTLIER -68.46 -41.44 80.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.468 ' CB ' ' HB2' ' A' ' 37' ' ' TRP . . . -73.68 -57.53 3.92 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.127 . . . . 0.0 109.279 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.561 ' HG3' ' CZ2' ' A' ' 37' ' ' TRP . 2.8 tt0 -50.87 -51.63 49.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 110.321 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.428 ' CB ' ' O ' ' A' ' 18' ' ' GLN . 28.6 t30 -61.9 -46.04 91.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.468 ' CB ' ' O ' ' A' ' 19' ' ' ASP . 1.8 m -55.01 -28.11 49.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 110.341 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.456 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 10.9 t80 -49.77 -60.72 2.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.32 -26.91 68.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.44 -31.56 68.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.994 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.469 ' O ' ' CG ' ' A' ' 30' ' ' ASP . 2.7 m-80 -169.66 94.47 0.51 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 109.336 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 1.72 7.45 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.531 1.806 . . . . 0.0 110.969 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.455 ' O ' ' CG2' ' A' ' 70' ' ' ILE . 11.7 mt -101.88 6.68 41.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.526 ' O ' ' CB ' ' A' ' 34' ' ' LEU . 50.2 p-10 -87.28 98.01 11.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.23 -31.15 63.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.329 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.43 -55.35 16.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.103 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.444 ' CB ' HG22 ' A' ' 23' ' ' THR . 1.1 m120 -68.48 -34.15 75.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.526 ' CB ' ' O ' ' A' ' 30' ' ' ASP . 7.4 tp -67.08 -42.93 83.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 41.1 m -68.84 -42.45 77.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 110.43 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.442 ' CZ ' ' CB ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -68.28 -25.11 65.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.561 ' CZ2' ' HG3' ' A' ' 21' ' ' GLU . 12.6 t90 -67.19 -27.14 67.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.132 . . . . 0.0 107.993 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.591 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -85.53 -54.51 2.79 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.559 1.162 . . . . 0.0 110.983 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -43.58 -41.62 5.55 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.54 HG23 ' CD1' ' A' ' 13' ' ' PHE . 0.7 OUTLIER -67.38 -48.72 76.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.528 0.781 . . . . 0.0 109.229 -179.936 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.484 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 21.4 mt -48.44 -45.2 36.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.471 HD22 ' CB ' ' A' ' 60' ' ' ALA . 14.1 mt -65.52 -37.1 85.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.561 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 12.4 mm-40 -63.42 -57.52 10.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.58 ' HB3' ' CD2' ' A' ' 48' ' ' HIS . 11.3 mt -55.15 -34.56 63.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.424 ' HA ' ' HB2' ' A' ' 48' ' ' HIS . 3.7 m -59.6 -12.71 7.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.033 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -68.08 -14.13 62.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.645 ' CG ' ' O ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -158.2 22.15 0.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.97 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.58 ' CD2' ' HB3' ' A' ' 44' ' ' LEU . 0.2 OUTLIER -96.64 5.22 51.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.65 179.93 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.483 ' CB ' ' O ' ' A' ' 48' ' ' HIS . 0.7 OUTLIER 84.02 128.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.001 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.481 HG13 ' CD2' ' A' ' 91' ' ' LEU . 0.5 OUTLIER -47.3 -48.04 9.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.42 ' N ' HG21 ' A' ' 50' ' ' ILE . 47.9 t -44.8 -56.09 4.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.977 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -71.87 -45.13 62.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.506 ' O ' ' CD1' ' A' ' 57' ' ' ILE . . . -44.8 -35.03 2.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.334 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.7 mtpt -64.59 -58.06 7.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.365 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -63.37 -35.32 80.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.243 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 89.2 mtp -67.51 -34.27 76.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 111.019 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.506 ' CD1' ' O ' ' A' ' 53' ' ' ALA . 19.2 mt -72.82 -47.53 49.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -47.26 -54.45 10.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.335 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.472 ' CG ' HD12 ' A' ' 41' ' ' LEU . 5.5 pt-20 -65.18 -35.34 80.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 110.263 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.485 ' O ' ' CD2' ' A' ' 64' ' ' PHE . . . -59.7 -28.97 67.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -78.09 -57.36 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 72.3 p -49.68 -28.38 5.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 110.416 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.509 ' NZ ' ' CH2' ' A' ' 37' ' ' TRP . 0.1 OUTLIER -69.35 -48.65 60.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 0.0 109.262 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.591 ' CE1' ' HA3' ' A' ' 38' ' ' GLY . 20.9 m-85 -60.92 -37.88 83.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.959 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.07 -56.06 12.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 110.317 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -66.27 -35.13 79.61 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.473 1.108 . . . . 0.0 110.322 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.477 ' CB ' ' HG ' ' A' ' 34' ' ' LEU . . . -63.01 -38.54 91.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.0 mt -65.26 -29.61 70.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.88 -33.46 74.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.455 ' CG2' ' O ' ' A' ' 29' ' ' LEU . 5.6 mt -75.78 -39.57 38.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.466 ' OD2' ' N ' ' A' ' 74' ' ' LYS . 31.2 t70 -145.21 107.36 4.5 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -26.16 11.17 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.492 1.785 . . . . 0.0 110.979 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.84 7.17 13.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.466 ' N ' ' OD2' ' A' ' 71' ' ' ASP . 4.5 tppt? -73.1 78.42 1.23 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.33 -24.92 8.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.432 ' HG2' ' CE3' ' A' ' 79' ' ' TRP . 4.0 tt0 -69.85 -53.98 15.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.314 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.46 -33.05 42.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.473 ' CG1' ' HB2' ' A' ' 111' ' ' GLN . 24.7 t -74.73 -53.31 16.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.432 ' CE3' ' HG2' ' A' ' 76' ' ' GLU . 0.4 OUTLIER -57.99 -47.33 83.31 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.589 ' HB3' ' CZ ' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -50.1 -53.97 23.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 108.298 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.564 HG22 ' CE2' ' A' ' 108' ' ' PHE . 66.3 mt -51.95 -40.22 27.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.468 ' CA ' ' HB1' ' A' ' 105' ' ' ALA . . . -71.22 -43.38 55.73 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.462 1.101 . . . . 0.0 110.986 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -64.55 -33.16 75.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 0.77 . . . . 0.0 109.299 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.86 -54.76 12.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.47 ' CD1' ' ND2' ' A' ' 101' ' ' ASN . 4.8 m-85 -56.19 -47.39 78.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.503 HG23 ' CE1' ' A' ' 102' ' ' PHE . 40.9 m -54.66 -46.14 73.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.428 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 47.7 t -66.95 -51.3 56.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.994 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.47 ' HB2' ' CG2' ' A' ' 57' ' ' ILE . 35.9 t80 -53.89 -31.69 50.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.28 -45.91 89.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.478 ' O ' ' CE1' ' A' ' 140' ' ' TYR . 32.8 m-85 -60.49 -21.41 62.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.997 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.481 ' CD2' HG13 ' A' ' 50' ' ' ILE . 0.8 OUTLIER -95.55 -4.74 44.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.25 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -97.5 109.06 48.67 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.393 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.516 ' HA ' ' CE2' ' A' ' 140' ' ' TYR . 18.4 Cg_endo -75.05 48.23 1.96 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.476 1.777 . . . . 0.0 110.979 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.444 ' O ' ' CB ' ' A' ' 98' ' ' ALA . 3.2 m-20 -152.34 121.08 6.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -64.37 -45.77 86.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.113 . . . . 0.0 110.3 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.464 ' CG2' ' N ' ' A' ' 97' ' ' GLU . 6.9 t -51.64 -50.52 60.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.427 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.464 ' N ' ' CG2' ' A' ' 96' ' ' THR . 3.4 mm-40 -75.98 -50.21 15.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.428 1.08 . . . . 0.0 110.314 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.444 ' CB ' ' O ' ' A' ' 94' ' ' ASP . . . -52.78 -53.38 49.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 53.4 tttp -59.47 -53.19 61.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.553 ' CD2' ' C ' ' A' ' 100' ' ' HIS . 0.2 OUTLIER -48.87 -43.65 39.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.584 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . 0.47 ' ND2' ' CD1' ' A' ' 85' ' ' TYR . 1.2 m120 -63.77 -54.41 35.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.57 ' CD1' ' HB2' ' A' ' 132' ' ' ALA . 4.0 m-85 -51.1 -49.0 61.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -64.45 -22.09 66.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.58 -47.59 26.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.468 ' HB1' ' CA ' ' A' ' 82' ' ' GLY . . . -62.24 -23.8 66.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.44 ' HA ' ' CD2' ' A' ' 109' ' ' PHE . 2.3 m -64.31 -54.58 30.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 110.429 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.411 ' HG3' ' N ' ' A' ' 108' ' ' PHE . 0.5 OUTLIER -54.75 -23.63 18.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.17 . . . . 0.0 110.329 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.564 ' CE2' HG22 ' A' ' 81' ' ' ILE . 12.5 m-85 -82.72 -46.18 13.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.443 ' CZ ' ' HB1' ' A' ' 105' ' ' ALA . 21.8 m-30 -53.67 -37.03 62.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 111.023 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.413 ' NE2' ' HA ' ' A' ' 110' ' ' GLN . 11.0 tp60 -56.72 -29.16 62.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.473 ' HB2' ' CG1' ' A' ' 78' ' ' VAL . 61.5 mt-30 -80.99 -42.91 20.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 110.326 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.65 -51.67 68.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.322 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.468 ' O ' ' N ' ' A' ' 117' ' ' PRO . 5.2 m -64.88 -38.99 84.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -45.4 -47.97 13.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -68.29 -37.23 80.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 110.293 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.43 ' O ' ' CG ' ' A' ' 116' ' ' GLN . 1.5 tt0 -161.73 90.33 1.46 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.137 . . . . 0.0 110.296 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.468 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.1 Cg_endo -75.03 -3.09 13.41 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.5 1.789 . . . . 0.0 110.993 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -86.02 -8.3 58.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -71.54 118.43 14.35 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.566 1.166 . . . . 0.0 109.282 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 62.1 p -55.49 -50.8 68.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.377 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . 0.429 ' H ' ' CD2' ' A' ' 121' ' ' HIS . 12.3 m-70 -49.63 -59.33 3.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.593 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.405 ' HB3' ' CG1' ' A' ' 113' ' ' VAL . 10.4 m-30 -51.83 -34.27 39.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.547 ' C ' ' CD2' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -65.93 -52.09 52.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.419 ' N ' HD13 ' A' ' 123' ' ' LEU . 1.5 tptp -57.65 -40.45 79.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.43 -39.3 92.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.96 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.437 HD12 ' CB ' ' A' ' 109' ' ' PHE . 10.9 tp -73.41 -44.79 57.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.54 -33.07 74.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.246 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' MET . . . . . 0.403 ' N ' ' O ' ' A' ' 124' ' ' LYS . 21.8 mmm -57.49 -29.35 64.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 126' ' ' LEU . 14.0 p -68.54 -29.96 68.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 110.377 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -42.31 -48.54 5.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.412 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 0.7 OUTLIER -114.24 48.48 1.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . 0.57 ' HB2' ' CD1' ' A' ' 102' ' ' PHE . . . -63.66 -52.86 55.58 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.262 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' PRO . . . . . 0.49 ' CD ' ' N ' ' A' ' 132' ' ' ALA . 18.3 Cg_endo -75.04 -23.87 13.31 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.506 1.793 . . . . 0.0 110.986 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . 0.461 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 6.3 tp-100 -80.47 -50.68 9.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.556 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 59.0 mt -51.58 -40.57 60.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.268 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -68.02 -44.58 76.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.617 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . 0.521 ' O ' ' CB ' ' A' ' 141' ' ' LYS . . . -61.79 -52.44 64.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.258 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.492 ' CG ' ' HA ' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -68.92 -27.03 65.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.556 ' CB ' ' O ' ' A' ' 135' ' ' LEU . . . -63.94 -50.65 67.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' TYR . . . . . 0.516 ' CE2' ' HA ' ' A' ' 93' ' ' PRO . 6.4 m-85 -84.17 -43.22 15.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.974 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . 0.521 ' CB ' ' O ' ' A' ' 137' ' ' ALA . 1.3 ttpt -57.34 -48.11 79.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.292 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.5 ttm180 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.469 HG22 ' CD2' ' A' ' 44' ' ' LEU . 16.1 mt -62.77 -33.85 62.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.4 mt -63.67 -41.11 98.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.479 ' CD1' ' CD1' ' A' ' 16' ' ' ILE . 0.2 OUTLIER -61.38 -47.96 83.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.517 ' CD1' HG22 ' A' ' 40' ' ' VAL . 13.8 m-85 -63.81 -25.38 68.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.972 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.426 ' CG ' ' O ' ' A' ' 10' ' ' ILE . 3.0 mm-40 -68.0 -55.94 10.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.237 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.476 ' HG3' ' N ' ' A' ' 16' ' ' ILE . 3.8 pt20 -55.99 -29.41 60.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.328 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.479 ' CD1' ' CD1' ' A' ' 12' ' ' LEU . 12.7 mt -71.45 -51.04 36.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 109.345 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -51.36 -58.49 6.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.261 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.43 ' HG3' ' N ' ' A' ' 19' ' ' ASP . 18.1 pt20 -50.77 -46.32 59.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.322 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.43 ' N ' ' HG3' ' A' ' 18' ' ' GLN . 0.1 OUTLIER -62.89 -28.47 70.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.557 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . . . -70.98 -41.91 70.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.659 ' HG2' ' CZ2' ' A' ' 37' ' ' TRP . 2.9 mt-10 -66.46 -40.46 89.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 110.285 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.468 ' HA ' ' CE ' ' A' ' 25' ' ' LYS . 1.0 OUTLIER -75.52 -36.71 60.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.344 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.428 ' CB ' ' O ' ' A' ' 19' ' ' ASP . 1.3 m -60.41 -26.23 66.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.412 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.452 ' O ' ' CD ' ' A' ' 28' ' ' PRO . 0.0 OUTLIER -54.58 -60.92 2.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.994 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.468 ' CE ' ' HA ' ' A' ' 22' ' ' ASN . 0.0 OUTLIER -64.09 -26.76 68.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.5 t -71.82 -39.5 69.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.988 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -169.57 84.53 0.62 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.452 ' CD ' ' O ' ' A' ' 24' ' ' TYR . 18.3 Cg_endo -74.98 -0.87 10.48 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.44 1.758 . . . . 0.0 111.028 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.488 ' O ' ' CG2' ' A' ' 70' ' ' ILE . 9.8 mt -91.08 -23.62 20.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -64.58 99.44 0.31 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.416 ' HB2' ' CA ' ' A' ' 67' ' ' ALA . . . -74.01 -21.76 59.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -69.81 -47.5 62.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.266 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.407 ' CG ' HG22 ' A' ' 23' ' ' THR . 0.2 OUTLIER -70.94 -40.06 72.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.411 ' CD2' ' O ' ' A' ' 63' ' ' LYS . 0.2 OUTLIER -59.17 -50.21 74.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.095 . . . . 0.0 109.283 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 40.3 m -58.74 -35.12 72.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.408 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.46 -23.93 62.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 110.298 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.659 ' CZ2' ' HG2' ' A' ' 21' ' ' GLU . 6.1 t90 -67.02 -27.47 67.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 0.0 107.991 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.615 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -84.79 -58.21 2.17 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -38.89 -44.98 2.04 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.517 HG22 ' CD1' ' A' ' 13' ' ' PHE . 4.7 p -67.38 -48.79 76.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.515 0.773 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.486 HD13 ' CG ' ' A' ' 59' ' ' GLU . 12.0 mt -49.69 -44.14 47.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 17.2 mt -64.27 -37.88 89.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.515 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 15.2 mm-40 -63.03 -51.62 66.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.349 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.469 ' CD2' HG22 ' A' ' 10' ' ' ILE . 13.9 mt -62.06 -34.08 75.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.9 -21.57 64.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.037 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.684 ' HB2' ' CE1' ' A' ' 47' ' ' PHE . 36.3 mt-30 -67.97 -3.43 9.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 110.365 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.684 ' CE1' ' HB2' ' A' ' 46' ' ' GLN . 0.1 OUTLIER -157.05 60.89 0.51 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.14 . . . . 0.0 110.989 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -157.03 140.61 15.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.585 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.3 t -40.7 136.5 1.37 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.136 . . . . 0.0 110.005 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.47 HG13 ' CD2' ' A' ' 91' ' ' LEU . 1.0 OUTLIER -48.04 -41.83 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.427 ' N ' HG23 ' A' ' 50' ' ' ILE . 22.0 t -52.21 -47.71 65.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 109.994 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.36 -26.61 38.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.85 -53.29 57.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.113 . . . . 0.0 109.247 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.428 ' CD ' HG21 ' A' ' 50' ' ' ILE . 23.9 mtpt -55.87 -53.28 58.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -54.81 -42.93 72.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 110.315 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 8.8 mtp -65.45 -36.58 84.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 111.026 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 18.3 mt -72.61 -51.42 28.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -45.49 -54.37 7.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.486 ' CG ' HD13 ' A' ' 41' ' ' LEU . 3.1 pt-20 -65.12 -35.34 80.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 110.328 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.413 ' N ' ' HG2' ' A' ' 59' ' ' GLU . . . -59.52 -28.87 67.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.476 ' CD1' ' HB3' ' A' ' 84' ' ' ALA . 0.4 OUTLIER -76.37 -56.19 8.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 56.8 p -50.21 -35.33 26.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 110.394 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.411 ' O ' ' CD2' ' A' ' 34' ' ' LEU . 0.1 OUTLIER -60.39 -51.97 67.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.234 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.615 ' CE1' ' HA3' ' A' ' 38' ' ' GLY . 21.5 m-85 -56.96 -41.24 77.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 111.039 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.79 -55.67 10.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 110.35 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -56.46 -38.8 72.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.327 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.416 ' CA ' ' HB2' ' A' ' 31' ' ' ALA . . . -64.3 -43.75 93.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 13.8 mt -60.75 -29.19 69.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.33 -34.97 75.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.488 ' CG2' ' O ' ' A' ' 29' ' ' LEU . 5.9 mt -71.44 -44.34 71.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -149.08 113.61 3.6 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -6.31 17.89 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.475 1.776 . . . . 0.0 111.005 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 75' ' ' ASP . 5.6 mmtp -87.24 -6.98 58.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.473 ' HA ' ' CE ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -65.89 74.77 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.9 OUTLIER -51.81 -34.7 41.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.438 ' HG3' ' CE3' ' A' ' 79' ' ' TRP . 24.2 tt0 -59.21 -52.44 65.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.56 -32.33 40.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.303 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.454 ' CG1' ' HB2' ' A' ' 111' ' ' GLN . 25.4 t -74.53 -52.97 18.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.536 ' CZ3' ' SG ' ' A' ' 80' ' ' CYS . 0.4 OUTLIER -59.25 -48.77 80.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 108.017 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.576 ' HB3' ' CZ ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -50.37 -53.5 28.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 108.267 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.526 HG22 ' CZ ' ' A' ' 108' ' ' PHE . 55.1 mt -51.85 -30.87 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.47 ' HA3' ' CE1' ' A' ' 109' ' ' PHE . . . -80.06 -42.17 11.22 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -64.45 -31.73 73.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 0.769 . . . . 0.0 109.331 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.476 ' HB3' ' CD1' ' A' ' 61' ' ' ILE . . . -69.88 -55.71 9.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.512 ' CD2' ' O ' ' A' ' 81' ' ' ILE . 7.9 m-85 -54.17 -41.13 68.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.583 1.177 . . . . 0.0 110.967 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 17.5 m -54.7 -50.82 67.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.425 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.2 t -64.07 -51.82 62.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.003 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -51.1 -41.83 60.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 111.014 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.572 ' HB2' ' CD2' ' A' ' 102' ' ' PHE . . . -56.09 -52.62 63.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -55.0 -18.0 4.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.47 ' CD2' HG13 ' A' ' 50' ' ' ILE . 33.6 mt -93.89 -22.35 18.67 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -96.9 116.55 66.11 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 110.426 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.443 ' O ' ' N ' ' A' ' 95' ' ' GLU . 18.3 Cg_endo -75.03 -24.52 12.68 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.557 1.819 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -58.98 86.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 93' ' ' PRO . 49.7 mt-10 -39.88 -47.25 2.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.09 . . . . 0.0 110.309 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.4 m -52.61 -51.29 60.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.39 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -72.54 -48.93 36.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.572 1.17 . . . . 0.0 110.331 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -53.19 -53.81 45.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.41 -43.07 97.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.128 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.448 ' CD2' ' C ' ' A' ' 100' ' ' HIS . 1.3 t60 -59.7 -43.46 94.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.156 . . . . 0.0 109.574 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -72.52 -47.6 47.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.259 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.59 ' CE2' ' HB2' ' A' ' 136' ' ' HIS . 1.6 m-85 -52.25 -50.27 62.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 111.021 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.81 -19.82 65.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.45 ' O ' ' CG ' ' A' ' 107' ' ' GLN . 0.0 OUTLIER -68.57 -45.03 73.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.465 ' HB2' ' CA ' ' A' ' 82' ' ' GLY . . . -59.72 -34.77 73.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 4.3 m -58.33 -56.57 20.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 110.349 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.45 ' CG ' ' O ' ' A' ' 104' ' ' LEU . 0.8 OUTLIER -55.07 -24.2 24.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.275 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.526 ' CZ ' HG22 ' A' ' 81' ' ' ILE . 4.5 m-85 -84.42 -49.46 8.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.488 ' HB3' ' CD2' ' A' ' 126' ' ' LEU . 21.4 m-85 -54.6 -32.23 58.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.128 . . . . 0.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.412 ' HA ' ' NE2' ' A' ' 110' ' ' GLN . 4.0 tp60 -60.11 -28.99 68.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.454 ' HB2' ' CG1' ' A' ' 78' ' ' VAL . 37.7 mt-30 -81.42 -37.65 27.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -57.19 -52.86 63.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 117' ' ' PRO . 4.4 m -63.94 -34.53 68.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -44.37 -45.43 8.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.476 ' C ' ' HG2' ' A' ' 116' ' ' GLN . 29.5 mm-40 -75.03 -44.25 48.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 110.332 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.476 ' HG2' ' C ' ' A' ' 115' ' ' GLU . 1.3 mm-40 -138.72 83.83 19.04 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 110.34 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.457 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.2 Cg_endo -74.99 -11.76 21.5 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.464 1.77 . . . . 0.0 110.986 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -92.91 -12.42 30.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . 0.412 ' HB3' ' ND1' ' A' ' 121' ' ' HIS . 15.6 m-20 -71.96 115.71 11.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' THR . . . . . 0.498 ' O ' ' N ' ' A' ' 123' ' ' LEU . 1.5 t -54.93 -57.75 10.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 0.0 110.416 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . 0.566 ' ND1' ' N ' ' A' ' 121' ' ' HIS . 0.0 OUTLIER -45.86 -35.99 4.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.112 . . . . 0.0 109.592 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.4 ' HB2' ' O ' ' A' ' 119' ' ' ASN . 4.1 m-30 -81.24 -25.6 36.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 111.026 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.56 ' C ' ' CD2' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -81.42 -45.99 15.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.469 ' N ' ' CD1' ' A' ' 123' ' ' LEU . 5.3 tptt -49.89 -39.14 38.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.68 -41.91 70.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.997 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.488 ' CD2' ' HB3' ' A' ' 109' ' ' PHE . 3.0 mm? -66.67 -43.65 83.96 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -67.9 -42.65 80.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.255 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.38 -59.81 4.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 110.97 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -56.58 -22.23 32.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.395 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -44.06 -53.88 5.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.412 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 3.3 mttt -96.71 41.99 1.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . 0.581 ' N ' ' CD ' ' A' ' 133' ' ' PRO . . . -58.49 -48.26 97.25 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' PRO . . . . . 0.581 ' CD ' ' N ' ' A' ' 132' ' ' ALA . 18.2 Cg_endo -75.04 -24.55 12.66 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.455 1.766 . . . . 0.0 111.002 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . 0.444 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 18.4 tp60 -80.58 -47.42 14.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.311 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.612 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 9.0 mt -55.98 -41.65 75.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' HIS . . . . . 0.59 ' HB2' ' CE2' ' A' ' 102' ' ' PHE . 59.4 t-80 -66.5 -42.56 87.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.604 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . 0.537 ' O ' ' CB ' ' A' ' 141' ' ' LYS . . . -62.09 -52.92 61.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.502 ' O ' ' CG ' ' A' ' 142' ' ' GLN . 0.0 OUTLIER -69.43 -36.25 76.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.612 ' CB ' ' O ' ' A' ' 135' ' ' LEU . . . -56.93 -48.16 78.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' TYR . . . . . 0.569 ' CE1' ' CD2' ' A' ' 136' ' ' HIS . 5.1 m-85 -83.99 -43.06 15.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.981 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . 0.537 ' CB ' ' O ' ' A' ' 137' ' ' ALA . 3.9 tmtt? -58.54 -48.03 82.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.161 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . 0.502 ' CG ' ' O ' ' A' ' 138' ' ' GLU . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 110.259 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.433 ' HB2' ' NH1' ' A' ' 9' ' ' ARG . 10.5 ttm105 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.455 HG22 ' CD2' ' A' ' 44' ' ' LEU . 96.5 mt -63.56 -37.7 80.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.9 mt -57.34 -33.35 67.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.563 ' CD1' ' CD1' ' A' ' 16' ' ' ILE . 0.1 OUTLIER -70.22 -50.47 39.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.465 ' N ' ' HG ' ' A' ' 12' ' ' LEU . 18.3 m-85 -63.88 -30.93 71.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 0.0 110.966 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -61.85 -60.27 3.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 110.299 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.448 ' CG ' ' O ' ' A' ' 12' ' ' LEU . 10.3 pt20 -49.72 -35.3 21.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 110.315 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.563 ' CD1' ' CD1' ' A' ' 12' ' ' LEU . 20.7 mt -71.35 -47.8 57.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.561 1.163 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.1 ttt180 -52.05 -46.7 65.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 110.278 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.442 ' HG3' ' N ' ' A' ' 19' ' ' ASP . 15.2 pt20 -67.46 -42.05 83.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.452 ' O ' ' CB ' ' A' ' 23' ' ' THR . 0.1 OUTLIER -65.64 -39.29 91.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.162 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.58 -54.77 7.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.259 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.555 ' HG3' ' CZ2' ' A' ' 37' ' ' TRP . 8.3 tt0 -54.86 -47.67 73.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.7 t30 -64.67 -47.69 77.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.538 ' CG2' ' CG ' ' A' ' 33' ' ' ASN . 2.5 m -54.02 -24.43 16.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 110.391 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.443 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 8.6 t80 -52.84 -60.13 3.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.963 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.78 -27.17 69.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.4 t -70.6 -36.21 73.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.165 . . . . 0.0 110.027 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -169.36 89.76 0.58 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -2.55 12.68 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.493 1.786 . . . . 0.0 110.986 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.463 ' O ' ' CG2' ' A' ' 70' ' ' ILE . 8.1 mt -91.42 -10.68 40.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -73.66 99.83 3.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.467 1.105 . . . . 0.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.18 -21.9 63.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.364 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -72.22 -55.41 7.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.538 ' CG ' ' CG2' ' A' ' 23' ' ' THR . 24.0 t-20 -70.8 -32.08 69.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.25 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.471 ' HG ' ' CB ' ' A' ' 67' ' ' ALA . 0.5 OUTLIER -65.27 -55.07 20.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 109.267 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.1 m -59.8 -33.45 71.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.389 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.423 ' HD3' ' CG2' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -70.38 -44.57 67.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.315 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.555 ' CZ2' ' HG3' ' A' ' 21' ' ' GLU . 13.7 t90 -51.63 -27.67 12.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 108.006 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.426 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -83.88 -56.58 2.57 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.509 1.13 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -40.49 -45.58 3.43 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.446 ' CG1' ' N ' ' A' ' 41' ' ' LEU . 0.9 OUTLIER -67.31 -46.52 83.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.471 0.748 . . . . 0.0 109.296 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.458 HD13 ' CG ' ' A' ' 59' ' ' GLU . 10.0 mt -49.31 -44.94 44.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.322 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 17.6 mt -62.83 -38.42 90.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.166 . . . . 0.0 109.291 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -65.72 -56.46 11.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.335 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.455 ' CD2' HG22 ' A' ' 10' ' ' ILE . 11.8 mt -61.71 -25.5 67.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.32 -36.09 75.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 110.005 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.486 ' CG ' ' N ' ' A' ' 47' ' ' PHE . 1.3 pt20 -67.93 -44.97 75.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.486 ' N ' ' CG ' ' A' ' 46' ' ' GLN . 74.8 m-85 -78.02 -20.5 52.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.982 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.444 ' N ' ' O ' ' A' ' 44' ' ' LEU . 20.0 m-70 -92.92 137.87 31.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.168 . . . . 0.0 109.617 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.515 ' O ' ' N ' ' A' ' 53' ' ' ALA . 25.8 p -40.81 154.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.993 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.498 HG21 ' N ' ' A' ' 51' ' ' SER . 1.0 OUTLIER -53.01 -50.02 46.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.498 ' N ' HG21 ' A' ' 50' ' ' ILE . 5.7 t -46.31 -46.56 18.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.992 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.469 ' O ' ' CG ' ' A' ' 56' ' ' MET . 0.4 OUTLIER -82.14 -25.37 34.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 109.273 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.515 ' N ' ' O ' ' A' ' 49' ' ' SER . . . -67.77 -56.4 9.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.466 ' CD ' HG22 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -58.22 -48.98 78.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.431 ' NE2' ' OD1' ' A' ' 52' ' ' ASP . 1.5 pt20 -61.47 -33.42 73.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.24 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.469 ' CG ' ' O ' ' A' ' 52' ' ' ASP . 36.1 mtp -70.59 -30.46 67.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 111.012 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.406 ' CG2' ' HB3' ' A' ' 84' ' ' ALA . 36.3 mt -72.79 -47.14 50.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -46.06 -54.38 8.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 110.312 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.487 ' HA ' ' CG2' ' A' ' 62' ' ' THR . 5.1 pt-20 -66.04 -38.33 88.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.317 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.16 -49.47 77.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.113 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.506 HD12 ' CD1' ' A' ' 85' ' ' TYR . 0.1 OUTLIER -53.24 -62.27 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.487 ' CG2' ' HA ' ' A' ' 59' ' ' GLU . 1.8 t -51.84 -28.52 16.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.391 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.486 ' HE3' ' CH2' ' A' ' 37' ' ' TRP . 0.6 OUTLIER -65.92 -36.89 84.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.613 ' CZ ' ' SG ' ' A' ' 80' ' ' CYS . 21.5 m-85 -71.21 -39.51 71.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -48.27 -55.53 10.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 110.289 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.88 -44.97 96.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.091 . . . . 0.0 110.266 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.471 ' CB ' ' HG ' ' A' ' 34' ' ' LEU . . . -57.87 -33.75 69.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.2 mt -70.02 -30.59 67.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.34 -29.62 68.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.463 ' CG2' ' O ' ' A' ' 29' ' ' LEU . 4.3 mt -78.96 -41.14 23.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.088 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -147.05 103.54 3.83 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -16.24 20.3 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.528 1.804 . . . . 0.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt -82.67 -0.9 49.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.59 81.13 2.0 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.463 ' HB3' ' CG ' ' A' ' 115' ' ' GLU . 0.3 OUTLIER -54.07 -26.13 25.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.259 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.416 ' HG3' ' CE3' ' A' ' 79' ' ' TRP . 2.2 tp10 -65.53 -52.44 52.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.329 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.5 -32.83 42.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.338 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.465 ' CG1' ' HB2' ' A' ' 111' ' ' GLN . 37.0 t -74.65 -53.39 16.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 109.286 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.416 ' CE3' ' HG3' ' A' ' 76' ' ' GLU . 0.4 OUTLIER -57.83 -44.34 86.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 107.985 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.613 ' SG ' ' CZ ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -50.28 -53.33 29.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 108.318 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.545 HD12 ' CE1' ' A' ' 108' ' ' PHE . 86.2 mt -51.93 -51.65 27.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.574 ' HA3' ' CE1' ' A' ' 109' ' ' PHE . . . -61.16 -42.3 99.74 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.485 1.116 . . . . 0.0 111.028 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -64.0 -36.22 83.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 0.774 . . . . 0.0 109.272 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.46 ' CB ' HD13 ' A' ' 61' ' ' ILE . . . -69.67 -54.63 12.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.11 . . . . 0.0 109.298 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.62 ' CE2' HD12 ' A' ' 104' ' ' LEU . 3.8 m-85 -56.05 -39.54 72.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 54.9 m -60.6 -49.31 78.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 110.418 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.2 m -66.62 -49.28 66.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.965 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -52.66 -32.92 44.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 111.041 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.402 ' HB3' ' CE2' ' A' ' 102' ' ' PHE . . . -63.39 -49.59 73.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -56.19 -21.19 21.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.403 ' CD1' ' HB1' ' A' ' 53' ' ' ALA . 12.6 mt -89.27 -23.71 22.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -94.65 119.09 66.68 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.386 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.46 ' HA ' ' CE2' ' A' ' 140' ' ' TYR . 18.4 Cg_endo -74.99 -28.02 9.55 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.525 1.803 . . . . 0.0 111.037 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.95 93.11 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -43.86 -47.2 8.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.3 m -52.1 -49.93 62.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.351 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -72.72 -48.28 40.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.125 . . . . 0.0 110.331 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.11 -53.55 51.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.353 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.4 -42.18 95.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.52 ' CD2' ' C ' ' A' ' 100' ' ' HIS . 0.2 OUTLIER -57.45 -46.1 84.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.626 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ASN . . . . . 0.414 ' O ' ' N ' ' A' ' 105' ' ' ALA . 10.3 m120 -70.26 -46.76 63.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.579 ' CE2' ' HB2' ' A' ' 136' ' ' HIS . 1.1 m-85 -51.3 -54.26 27.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.39 -35.41 73.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.62 HD12 ' CE2' ' A' ' 85' ' ' TYR . 1.5 tm? -66.12 -22.16 66.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.35 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 101' ' ' ASN . . . -82.3 -25.07 34.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.8 m -67.71 -50.64 56.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 110.366 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -46.59 -30.66 2.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.331 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.545 ' CE1' HD12 ' A' ' 81' ' ' ILE . 11.2 m-85 -79.41 -48.3 14.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.112 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.576 ' CD2' HG21 ' A' ' 129' ' ' THR . 22.2 m-85 -54.37 -27.09 33.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.563 1.165 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.69 -28.73 68.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.281 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.465 ' HB2' ' CG1' ' A' ' 78' ' ' VAL . 35.2 mt-30 -82.43 -35.91 27.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.4 -49.76 76.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.476 ' O ' ' N ' ' A' ' 117' ' ' PRO . 7.1 m -66.37 -36.8 78.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -45.19 -48.29 12.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.463 ' CG ' ' HB3' ' A' ' 75' ' ' ASP . 20.2 mm-40 -70.04 -42.31 73.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.251 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.549 ' HG3' ' CD2' ' A' ' 122' ' ' TYR . 7.6 pt20 -151.77 88.44 4.23 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 110.313 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.476 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.3 Cg_endo -75.0 -2.07 12.06 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.498 1.788 . . . . 0.0 111.01 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -91.97 -12.34 33.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . 0.458 ' ND2' ' NE2' ' A' ' 116' ' ' GLN . 2.8 t-20 -67.23 118.67 10.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' THR . . . . . 0.439 ' O ' HD13 ' A' ' 123' ' ' LEU . 44.4 p -54.97 -48.91 72.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 110.396 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . 0.431 ' CD2' ' H ' ' A' ' 121' ' ' HIS . 11.4 m-70 -49.26 -50.43 38.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.615 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.549 ' CD2' ' HG3' ' A' ' 116' ' ' GLN . 9.6 m-30 -67.62 -30.62 70.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 110.961 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.586 ' C ' ' CD2' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -71.49 -53.26 14.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.464 ' N ' ' CD1' ' A' ' 123' ' ' LEU . 3.1 tptt -59.01 -45.93 89.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.257 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' SER . . . . . 0.474 ' O ' ' HG3' ' A' ' 128' ' ' MET . 0.5 OUTLIER -55.39 -45.58 76.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.028 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.47 ' O ' ' OG1' ' A' ' 129' ' ' THR . 14.5 tp -74.27 -29.35 61.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.234 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 123' ' ' LEU . 3.1 tp10 -68.78 -57.47 5.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 110.324 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' MET . . . . . 0.494 ' SD ' ' N ' ' A' ' 129' ' ' THR . 3.6 ppp? -55.71 -37.61 68.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 111.049 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.576 HG21 ' CD2' ' A' ' 109' ' ' PHE . 0.2 OUTLIER -53.2 -34.31 56.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.405 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -43.64 -35.69 1.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 23.6 mtmt -114.42 44.92 1.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . 0.639 ' N ' ' CD ' ' A' ' 133' ' ' PRO . . . -63.28 -44.44 83.08 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' PRO . . . . . 0.639 ' CD ' ' N ' ' A' ' 132' ' ' ALA . 18.3 Cg_endo -75.01 -29.69 7.95 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.483 1.78 . . . . 0.0 111.002 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . 0.465 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 53.6 mm-40 -80.86 -47.24 14.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 110.3 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.557 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 48.8 mt -51.13 -40.86 59.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' HIS . . . . . 0.579 ' HB2' ' CE2' ' A' ' 102' ' ' PHE . 60.2 t-80 -68.07 -44.51 76.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.593 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . 0.541 ' O ' ' CB ' ' A' ' 141' ' ' LYS . . . -61.72 -52.58 63.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 109.308 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.501 ' O ' ' CB ' ' A' ' 142' ' ' GLN . 0.1 OUTLIER -68.56 -26.89 65.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 0.0 110.304 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.557 ' CB ' ' O ' ' A' ' 135' ' ' LEU . . . -66.44 -51.6 55.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.151 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' TYR . . . . . 0.46 ' CE2' ' HA ' ' A' ' 93' ' ' PRO . 5.8 m-85 -81.69 -42.37 20.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.951 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' LYS . . . . . 0.541 ' CB ' ' O ' ' A' ' 137' ' ' ALA . 0.3 OUTLIER -61.16 -48.07 83.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.157 . . . . 0.0 109.307 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . 0.501 ' CB ' ' O ' ' A' ' 138' ' ' GLU . 1.2 tm0? . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.305 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 89.55 1.15 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.49 1.784 . . . . 0.0 111.003 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 62.29 176.55 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 154.55 136.11 2.19 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.482 1.114 . . . . 0.0 110.975 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 85.2 p -73.33 -36.25 66.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 0.757 . . . . 0.0 109.997 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 55.33 90.29 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 110.953 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -173.53 -51.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.41 HG22 ' N ' ' A' ' 4' ' ' GLU . 8.8 t -166.18 -41.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 110.375 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.41 ' N ' HG22 ' A' ' 3' ' ' THR . 2.3 mp0 65.0 154.06 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 110.331 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.499 ' O ' ' CB ' ' A' ' 6' ' ' GLU . 31.3 m -89.75 19.68 4.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 110.424 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.499 ' CB ' ' O ' ' A' ' 5' ' ' THR . 0.4 OUTLIER 86.05 -42.48 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.307 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.44 ' N ' ' HG2' ' A' ' 6' ' ' GLU . 18.1 m-30 -49.78 -54.91 16.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 110.984 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -47.42 -40.47 17.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.137 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.6 ttm180 -71.55 -31.5 67.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 110.31 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.441 ' CD1' ' HB3' ' A' ' 47' ' ' PHE . 30.0 mt -66.6 -39.64 84.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.277 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.8 mt -61.38 -42.72 99.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.472 HD11 ' CD1' ' A' ' 16' ' ' ILE . 0.1 OUTLIER -53.99 -53.21 56.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.444 ' N ' ' HG ' ' A' ' 12' ' ' LEU . 26.5 m-85 -63.91 -34.67 78.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 111.028 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -58.1 -59.9 4.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.273 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.463 ' HG3' ' N ' ' A' ' 16' ' ' ILE . 3.2 pt20 -50.56 -33.19 20.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 110.34 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.472 ' CD1' HD11 ' A' ' 12' ' ' LEU . 25.4 mt -71.34 -51.8 31.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.155 . . . . 0.0 109.313 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -51.23 -49.79 60.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.414 1.071 . . . . 0.0 110.274 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.435 ' O ' ' CB ' ' A' ' 22' ' ' ASN . 13.0 pt20 -64.24 -42.88 96.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 110.277 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.468 ' O ' ' CB ' ' A' ' 23' ' ' THR . 0.6 OUTLIER -64.53 -40.02 94.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.407 ' CB ' ' HB2' ' A' ' 37' ' ' TRP . . . -73.48 -57.51 3.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 109.345 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.565 ' HG3' ' CZ2' ' A' ' 37' ' ' TRP . 14.5 tt0 -52.88 -49.83 65.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.275 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.435 ' CB ' ' O ' ' A' ' 18' ' ' GLN . 16.1 t30 -62.73 -40.83 98.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.478 HG21 ' CB ' ' A' ' 33' ' ' ASN . 1.7 m -61.87 -24.79 67.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 110.361 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.442 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 7.9 t80 -51.95 -60.1 3.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.961 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.46 -28.4 69.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.64 -30.6 67.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.956 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.408 ' N ' ' O ' ' A' ' 23' ' ' THR . 1.9 t30 -169.46 90.39 0.56 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -1.91 11.84 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.507 1.793 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.512 ' O ' ' CG2' ' A' ' 70' ' ' ILE . 6.6 mt -89.01 -28.32 20.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -64.26 98.75 0.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.352 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.98 -25.84 62.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 -63.41 -51.33 66.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.478 ' CB ' HG21 ' A' ' 23' ' ' THR . 1.0 OUTLIER -69.55 -32.82 71.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.283 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.93 -39.52 87.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 24.1 m -72.41 -50.46 26.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.399 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.47 ' CD ' HG21 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -60.62 -24.32 65.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.294 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.573 ' CH2' ' HE3' ' A' ' 63' ' ' LYS . 14.4 t90 -67.63 -28.18 67.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 107.998 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.604 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -84.47 -55.03 2.81 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.488 1.118 . . . . 0.0 111.008 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -40.23 -44.75 3.03 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.454 ' CG1' ' N ' ' A' ' 41' ' ' LEU . 1.3 p -67.46 -47.3 81.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 0.776 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.463 HD11 ' CG ' ' A' ' 59' ' ' GLU . 13.8 mt -48.36 -44.44 34.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.461 HD21 ' CB ' ' A' ' 60' ' ' ALA . 13.5 mt -65.48 -40.49 93.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -65.7 -57.23 8.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 110.327 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.9 mt -59.81 -29.07 67.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.413 ' N ' ' HE2' ' A' ' 56' ' ' MET . 2.3 m -61.93 -27.52 68.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.977 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -67.74 -44.34 77.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 110.263 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.441 ' HB3' ' CD1' ' A' ' 10' ' ' ILE . 52.2 m-85 -79.37 -32.56 43.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 40.5 m-70 -78.8 143.31 36.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.602 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 53' ' ' ALA . 0.4 OUTLIER -44.34 150.32 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 110.009 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.519 HG23 ' CE ' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -51.33 -50.88 26.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.51 ' HA ' ' CE ' ' A' ' 54' ' ' LYS . 0.4 OUTLIER -44.82 -51.13 9.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.972 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.402 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 17.1 m-20 -76.01 -24.95 55.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 49' ' ' SER . . . -69.23 -42.4 75.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.275 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.519 ' CE ' HG23 ' A' ' 50' ' ' ILE . 5.1 mtmp? -62.71 -57.37 11.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.47 ' HG3' ' N ' ' A' ' 56' ' ' MET . 0.0 OUTLIER -56.06 -33.41 64.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.47 ' N ' ' HG3' ' A' ' 55' ' ' GLN . 16.1 mtp -70.62 -33.79 71.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.481 ' CG2' ' HB2' ' A' ' 88' ' ' PHE . 44.0 mt -72.75 -51.11 29.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -45.74 -54.14 8.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.463 ' CG ' HD11 ' A' ' 41' ' ' LEU . 3.9 pt-20 -65.92 -34.53 78.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 110.267 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.461 ' CB ' HD21 ' A' ' 42' ' ' LEU . . . -59.56 -29.4 67.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.328 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.495 HG12 ' CE1' ' A' ' 85' ' ' TYR . 0.4 OUTLIER -75.52 -59.36 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.919 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 20.6 p -49.61 -31.13 10.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.466 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.573 ' HE3' ' CH2' ' A' ' 37' ' ' TRP . 0.1 OUTLIER -66.05 -46.06 79.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.341 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.604 ' CE1' ' HA3' ' A' ' 38' ' ' GLY . 23.1 m-85 -61.14 -39.34 89.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.989 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -48.74 -55.37 11.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.33 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.86 -38.48 78.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.324 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.05 -40.98 97.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.4 mt -63.11 -28.84 70.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.44 -38.73 77.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.512 ' CG2' ' O ' ' A' ' 29' ' ' LEU . 5.0 mt -72.79 -41.91 61.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.267 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -143.54 104.37 5.01 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -17.76 19.3 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.449 1.763 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.88 0.01 46.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.095 . . . . 0.0 109.342 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.91 77.51 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.281 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.11 -26.38 11.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.258 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.457 ' HG3' ' CE3' ' A' ' 79' ' ' TRP . 0.8 OUTLIER -70.08 -52.3 24.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.295 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.36 -32.64 39.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 109.323 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 20.5 t -74.56 -52.81 18.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.457 ' CE3' ' HG3' ' A' ' 76' ' ' GLU . 0.4 OUTLIER -59.19 -46.85 87.32 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.58 ' HB3' ' CZ ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -50.29 -53.1 31.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 108.315 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.559 HG21 ' CZ ' ' A' ' 108' ' ' PHE . 56.7 mt -51.93 -38.92 24.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.483 ' HA3' ' CE1' ' A' ' 109' ' ' PHE . . . -72.99 -42.87 43.0 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.47 1.106 . . . . 0.0 111.017 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -63.78 -29.51 70.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 0.761 . . . . 0.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.455 ' HB3' ' CD1' ' A' ' 61' ' ' ILE . . . -69.63 -54.99 11.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.13 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.495 ' CE1' HG12 ' A' ' 61' ' ' ILE . 21.0 m-30 -56.23 -46.67 79.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 33.8 m -55.38 -46.24 76.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 110.45 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 34.0 t -67.17 -51.42 53.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.017 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.481 ' HB2' ' CG2' ' A' ' 57' ' ' ILE . 44.2 t80 -55.35 -34.36 64.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 111.007 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.575 ' HB1' ' CE2' ' A' ' 102' ' ' PHE . . . -59.78 -51.58 69.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.409 ' O ' ' CE1' ' A' ' 140' ' ' TYR . 40.7 m-85 -55.07 -23.97 22.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 111.04 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.435 ' CD2' ' CG1' ' A' ' 50' ' ' ILE . 21.2 mt -90.73 -19.61 23.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.443 ' O ' ' NE2' ' A' ' 136' ' ' HIS . 0.9 OUTLIER -95.84 119.22 65.22 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.402 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.478 ' HA ' ' CE2' ' A' ' 140' ' ' TYR . 18.2 Cg_endo -75.06 -27.18 10.14 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.508 1.794 . . . . 0.0 110.984 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 95' ' ' GLU . 0.1 OUTLIER -59.48 85.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 93' ' ' PRO . 56.5 mt-10 -38.14 -47.31 1.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.2 m -53.27 -57.69 9.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.436 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -63.4 -48.8 76.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 110.291 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.43 -53.4 54.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 55.4 mttt -60.31 -51.26 70.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.556 ' CD2' ' C ' ' A' ' 100' ' ' HIS . 0.2 OUTLIER -49.32 -38.47 27.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.598 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -72.65 -52.22 16.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.575 ' CE2' ' HB1' ' A' ' 89' ' ' ALA . 8.4 m-85 -51.11 -42.21 60.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.09 -20.63 60.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.98 -53.2 8.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.351 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.567 ' HB1' ' CZ ' ' A' ' 109' ' ' PHE . . . -51.39 -27.13 9.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.442 ' HA ' ' CD2' ' A' ' 109' ' ' PHE . 1.0 OUTLIER -64.73 -54.98 23.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.427 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -52.15 -28.1 16.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.559 ' CZ ' HG21 ' A' ' 81' ' ' ILE . 15.5 m-85 -81.87 -44.72 16.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.955 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.567 ' CZ ' ' HB1' ' A' ' 105' ' ' ALA . 23.4 m-30 -54.09 -38.03 64.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 111.02 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -57.95 -26.52 62.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.333 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -81.09 -44.09 18.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.281 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.15 -53.59 56.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.253 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.472 ' O ' ' N ' ' A' ' 117' ' ' PRO . 15.2 m -62.42 -35.47 69.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.25 -52.52 9.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.342 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -63.07 -44.06 96.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.418 ' O ' ' CG ' ' A' ' 116' ' ' GLN . 1.6 tt0 -156.03 91.46 2.67 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.472 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.2 Cg_endo -74.98 -4.53 15.55 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.484 1.781 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -86.26 0.56 53.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.268 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -75.48 117.54 17.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 81.4 p -57.05 -36.12 70.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.422 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.413 ' H ' ' CD2' ' A' ' 121' ' ' HIS . 8.6 m-70 -64.03 -59.37 4.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.609 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.458 ' HB3' ' CG1' ' A' ' 113' ' ' VAL . 10.5 m-30 -54.32 -32.64 57.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.998 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.522 ' C ' ' CD2' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -63.0 -49.72 73.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.424 ' N ' HD13 ' A' ' 123' ' ' LEU . 3.3 tptt -61.99 -43.07 99.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.47 -39.92 81.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.967 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.434 ' O ' ' OG1' ' A' ' 129' ' ' THR . 5.7 tp -73.23 -56.06 5.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -54.1 -31.42 51.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.241 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 19.7 mmm -58.56 -32.14 68.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.951 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.434 ' OG1' ' O ' ' A' ' 126' ' ' LEU . 17.8 p -68.24 -30.33 69.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 110.386 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -42.11 -40.62 2.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.87 46.12 2.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . 0.541 ' N ' ' CD ' ' A' ' 133' ' ' PRO . . . -63.8 -50.07 72.78 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . 0.541 ' CD ' ' N ' ' A' ' 132' ' ' ALA . 18.3 Cg_endo -75.0 -25.09 12.2 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.488 1.783 . . . . 0.0 111.019 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . 0.469 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 30.7 mm-40 -80.37 -49.95 10.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.563 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 20.7 mt -49.92 -41.25 45.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . 0.55 ' CD2' ' CE1' ' A' ' 140' ' ' TYR . 51.9 t-80 -68.33 -44.45 75.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.66 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . 0.525 ' O ' ' CB ' ' A' ' 141' ' ' LYS . . . -61.87 -52.3 64.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.478 ' CG ' ' HA ' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -68.52 -27.69 66.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.582 1.176 . . . . 0.0 110.274 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.563 ' CB ' ' O ' ' A' ' 135' ' ' LEU . . . -66.57 -50.39 63.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . 0.55 ' CE1' ' CD2' ' A' ' 136' ' ' HIS . 5.5 m-85 -81.52 -32.59 32.27 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.479 1.112 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.525 ' CB ' ' O ' ' A' ' 137' ' ' ALA . 0.2 OUTLIER -67.14 -46.9 72.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.25 104.57 11.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.283 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 173.8 -105.69 0.21 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.527 1.142 . . . . 0.0 111.025 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -154.16 86.37 1.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 0.779 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -118.28 -109.08 2.42 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.569 1.168 . . . . 0.0 111.036 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -155.88 -108.08 0.28 Allowed Glycine 0 CA--C 1.53 0.978 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 92.0 p -41.52 157.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 0.751 . . . . 0.0 110.024 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 14.2 t-160 -103.76 -64.68 1.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 109.604 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -178.08 177.14 1.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.626 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -133.68 76.71 1.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.624 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -163.76 173.62 12.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.596 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -128.75 173.76 10.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.597 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.567 -179.939 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 95.04 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.529 1.805 . . . . 0.0 111.006 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 5.7 mt -151.36 102.51 2.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -173.1 -104.09 0.17 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.534 1.146 . . . . 0.0 111.027 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 40.8 m -76.75 -21.42 55.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 0.741 . . . . 0.0 109.996 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 63.62 144.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.2 t0 74.23 51.19 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 16.4 p -102.4 -175.92 2.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.405 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -156.96 131.8 8.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.591 ' O ' ' CG ' ' A' ' 6' ' ' GLU . 87.3 m -145.74 18.09 1.46 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.11 . . . . 0.0 110.428 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.591 ' CG ' ' O ' ' A' ' 5' ' ' THR . 0.0 OUTLIER 89.33 -23.86 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 110.267 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.445 ' N ' ' HG3' ' A' ' 6' ' ' GLU . 22.0 m-85 -63.14 -55.32 26.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.433 1.083 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -48.66 -39.39 24.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.323 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -34.75 78.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 110.288 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.503 ' CD1' ' OE1' ' A' ' 6' ' ' GLU . 21.7 mt -65.73 -40.59 88.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.7 mt -59.05 -43.16 91.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 109.311 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.49 ' CD1' ' CD1' ' A' ' 16' ' ' ILE . 0.2 OUTLIER -57.71 -49.88 75.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.468 ' CD1' HG23 ' A' ' 40' ' ' VAL . 14.5 m-85 -64.03 -27.02 68.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.967 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -67.55 -59.86 3.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.256 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.477 ' HG3' ' N ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -51.78 -28.07 14.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.088 . . . . 0.0 110.308 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.49 ' CD1' ' CD1' ' A' ' 12' ' ' LEU . 8.2 mt -71.8 -52.94 22.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.6 ttp180 -49.16 -59.33 3.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 110.339 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.424 ' HG3' ' O ' ' A' ' 15' ' ' GLN . 0.3 OUTLIER -53.5 -39.84 64.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.276 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.469 ' O ' ' CB ' ' A' ' 23' ' ' THR . 0.2 OUTLIER -64.98 -31.73 73.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.27 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.597 ' CB ' ' CG ' ' A' ' 37' ' ' TRP . . . -67.11 -46.0 75.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.65 ' HG2' ' CZ2' ' A' ' 37' ' ' TRP . 1.9 mt-10 -62.55 -41.06 98.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.285 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.413 ' C ' ' ND2' ' A' ' 22' ' ' ASN . 1.1 t30 -75.63 -40.47 56.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.266 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.469 ' CB ' ' O ' ' A' ' 19' ' ' ASP . 2.7 m -59.92 -23.08 63.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.391 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.446 ' O ' ' CD ' ' A' ' 28' ' ' PRO . 0.1 OUTLIER -55.68 -60.59 3.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 111.036 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.59 -29.15 70.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.6 t -70.74 -39.69 73.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.987 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.407 ' N ' ' O ' ' A' ' 23' ' ' THR . 0.7 OUTLIER -169.24 86.12 0.62 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.446 ' CD ' ' O ' ' A' ' 24' ' ' TYR . 18.2 Cg_endo -75.07 0.61 8.73 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.489 1.784 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.454 ' O ' ' CG2' ' A' ' 70' ' ' ILE . 15.5 mt -97.21 -10.83 25.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.255 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.491 ' O ' ' CB ' ' A' ' 34' ' ' LEU . 0.8 OUTLIER -68.48 99.55 0.98 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.25 -33.95 72.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -64.03 -55.87 19.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -67.68 -35.21 78.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.491 ' CB ' ' O ' ' A' ' 30' ' ' ASP . 0.3 OUTLIER -64.65 -54.78 26.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.5 m -57.73 -45.67 85.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.392 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.62 -27.06 57.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.347 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.65 ' CZ2' ' HG2' ' A' ' 21' ' ' GLU . 5.6 t90 -59.96 -26.65 66.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 108.017 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.585 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -85.16 -61.26 1.75 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.579 1.175 . . . . 0.0 110.982 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -37.53 -44.23 1.22 Allowed Glycine 0 CA--C 1.529 0.953 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.468 HG23 ' CD1' ' A' ' 13' ' ' PHE . 4.8 p -67.5 -50.92 57.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.467 0.745 . . . . 0.0 109.263 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.465 HD13 ' CG ' ' A' ' 59' ' ' GLU . 38.4 mt -49.13 -43.47 41.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 25.8 mt -63.93 -36.94 85.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 109.271 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -65.68 -59.2 4.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.272 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.423 ' CD2' HG21 ' A' ' 10' ' ' ILE . 16.4 mt -62.08 -25.74 67.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.77 -42.71 68.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.031 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -58.22 -36.47 73.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.71 ' CE2' ' CD2' ' A' ' 48' ' ' HIS . 0.0 OUTLIER -80.47 -33.1 36.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.994 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.71 ' CD2' ' CE2' ' A' ' 47' ' ' PHE . 9.1 m-70 -80.42 137.05 36.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.621 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.9 m -47.43 154.33 0.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.028 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.43 HG21 ' N ' ' A' ' 51' ' ' SER . 0.2 OUTLIER -51.78 -47.54 39.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.43 ' N ' HG21 ' A' ' 50' ' ' ILE . 28.3 t -44.82 -56.32 4.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.997 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.0 -39.14 66.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -46.65 -54.26 9.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.113 . . . . 0.0 109.245 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.06 -58.17 6.08 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -54.09 -42.93 69.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 86.2 mtp -63.26 -32.28 73.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.966 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.443 ' CG2' ' HB2' ' A' ' 88' ' ' PHE . 18.9 mt -72.76 -49.28 41.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 109.323 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -48.21 -53.9 15.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.36 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.465 ' CG ' HD13 ' A' ' 41' ' ' LEU . 3.4 pt-20 -63.12 -35.56 80.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 110.265 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.4 ' O ' ' CD2' ' A' ' 64' ' ' PHE . . . -59.65 -28.88 67.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.25 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.566 HG12 ' CE1' ' A' ' 85' ' ' TYR . 0.7 OUTLIER -78.05 -55.37 10.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 50.6 p -50.56 -27.82 7.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.405 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.441 ' HG3' ' CD1' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -71.9 -47.92 49.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.585 ' CE1' ' HA3' ' A' ' 38' ' ' GLY . 22.8 m-85 -58.55 -43.54 89.34 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 111.023 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -48.96 -55.22 12.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 110.316 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.463 ' HG2' ' CD2' ' A' ' 34' ' ' LEU . 2.9 tp10 -60.39 -45.68 92.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.314 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.449 ' CB ' ' HG ' ' A' ' 34' ' ' LEU . . . -55.52 -44.79 76.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.5 mt -64.1 -33.21 75.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.32 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.75 -27.41 69.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.454 ' CG2' ' O ' ' A' ' 29' ' ' LEU . 4.4 mt -80.05 -39.8 19.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -155.4 114.58 2.28 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -5.0 16.22 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.539 1.81 . . . . 0.0 110.992 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 75' ' ' ASP . 0.9 OUTLIER -82.51 -6.94 59.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.2 tptp -66.93 73.27 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 109.356 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' A' ' 75' ' ' ASP . 0.7 OUTLIER -52.16 -34.11 43.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.426 ' HG3' ' CE3' ' A' ' 79' ' ' TRP . 40.0 tt0 -64.11 -49.24 72.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.306 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.52 -32.31 39.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.437 ' CG1' ' HB2' ' A' ' 111' ' ' GLN . 28.5 t -74.49 -52.63 19.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.426 ' CE3' ' HG3' ' A' ' 76' ' ' GLU . 0.5 OUTLIER -59.11 -48.24 82.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 108.01 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.578 ' HB3' ' CZ ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -50.74 -51.92 45.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 108.316 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.516 HG23 ' CZ ' ' A' ' 108' ' ' PHE . 41.5 mt -51.97 -45.17 40.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.353 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.474 ' CA ' ' HB3' ' A' ' 105' ' ' ALA . . . -66.62 -41.21 94.11 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -64.4 -37.46 87.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 0.738 . . . . 0.0 109.298 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.471 ' HB3' ' CD1' ' A' ' 61' ' ' ILE . . . -62.6 -55.18 29.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.566 ' CE1' HG12 ' A' ' 61' ' ' ILE . 21.3 m-30 -57.18 -42.34 80.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.168 . . . . 0.0 110.994 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.454 HG22 ' CE1' ' A' ' 102' ' ' PHE . 41.7 m -59.26 -51.93 67.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 110.445 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.0 m -61.63 -50.6 71.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.967 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.443 ' HB2' ' CG2' ' A' ' 57' ' ' ILE . 41.0 t80 -55.31 -30.98 61.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 111.029 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.441 ' HB3' ' CE2' ' A' ' 102' ' ' PHE . . . -64.08 -48.91 74.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.44 ' O ' ' CE1' ' A' ' 140' ' ' TYR . 35.0 m-85 -54.74 -25.99 31.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.419 ' CD2' ' CG1' ' A' ' 50' ' ' ILE . 7.7 mt -89.25 -18.75 26.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.236 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.427 ' O ' ' NE2' ' A' ' 136' ' ' HIS . 1.2 m -93.92 118.64 67.31 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.37 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.509 ' HA ' ' CE2' ' A' ' 140' ' ' TYR . 18.2 Cg_endo -75.01 -27.46 9.97 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.513 1.796 . . . . 0.0 111.009 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 95' ' ' GLU . 13.8 m-20 -59.36 85.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 93' ' ' PRO . 43.1 mt-10 -38.81 -47.68 1.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.337 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.467 ' CG2' ' N ' ' A' ' 97' ' ' GLU . 14.0 t -52.86 -53.48 48.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 110.391 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.467 ' N ' ' CG2' ' A' ' 96' ' ' THR . 1.8 mt-10 -66.96 -49.6 64.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.253 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -53.95 -53.16 56.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.44 -49.82 76.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.555 ' CD2' ' C ' ' A' ' 100' ' ' HIS . 0.2 OUTLIER -51.2 -43.54 61.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.617 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -64.09 -54.02 40.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.454 ' CE1' HG22 ' A' ' 86' ' ' THR . 5.4 m-85 -51.65 -41.85 61.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.1 . . . . 0.0 110.981 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -73.01 -19.61 61.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -78.69 -47.51 16.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.526 ' HB3' ' CZ ' ' A' ' 109' ' ' PHE . . . -59.09 -23.96 62.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.483 ' HA ' ' CD2' ' A' ' 109' ' ' PHE . 2.2 m -61.67 -55.19 33.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.388 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.41 ' HG3' ' N ' ' A' ' 108' ' ' PHE . 0.8 OUTLIER -55.35 -23.9 26.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 110.305 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.516 ' CZ ' HG23 ' A' ' 81' ' ' ILE . 8.3 m-85 -83.01 -44.93 14.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.164 . . . . 0.0 110.964 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.526 ' CZ ' ' HB3' ' A' ' 105' ' ' ALA . 21.0 m-30 -54.08 -30.09 47.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 110.996 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.93 -35.27 76.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.142 . . . . 0.0 110.327 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.437 ' HB2' ' CG1' ' A' ' 78' ' ' VAL . 33.9 mt-30 -77.0 -37.51 54.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 110.325 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.493 ' O ' ' CD2' ' A' ' 122' ' ' TYR . . . -62.61 -53.16 58.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.478 ' O ' ' N ' ' A' ' 117' ' ' PRO . 5.0 m -69.79 -36.16 68.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.402 ' OD1' ' OE2' ' A' ' 115' ' ' GLU . 0.0 OUTLIER -44.62 -44.41 8.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.407 ' O ' ' OE1' ' A' ' 116' ' ' GLN . 60.7 mm-40 -75.1 -43.64 51.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 110.312 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.407 ' OE1' ' O ' ' A' ' 115' ' ' GLU . 13.6 mm100 -142.51 83.84 11.6 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.296 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.478 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.5 Cg_endo -74.96 -2.72 12.91 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.514 1.797 . . . . 0.0 111.046 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -97.42 -12.06 23.16 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -65.49 127.63 32.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.403 ' O ' HD12 ' A' ' 123' ' ' LEU . 53.1 p -57.11 -54.26 48.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 110.381 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.436 ' H ' ' CD2' ' A' ' 121' ' ' HIS . 10.1 m-70 -50.57 -58.61 5.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.623 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.493 ' CD2' ' O ' ' A' ' 112' ' ' ALA . 9.6 m-30 -55.68 -25.58 40.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 111.087 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.518 ' C ' ' CD2' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -75.43 -51.72 12.41 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.422 ' N ' HD12 ' A' ' 123' ' ' LEU . 0.0 OUTLIER -60.89 -45.05 96.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.87 -36.18 72.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.036 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.414 ' O ' ' OG1' ' A' ' 129' ' ' THR . 45.9 tp -73.21 -44.96 58.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -67.52 -33.8 75.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 110.323 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' MET . . . . . 0.437 ' CE ' HD13 ' A' ' 135' ' ' LEU . 0.0 OUTLIER -50.3 -30.42 11.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.414 ' OG1' ' O ' ' A' ' 126' ' ' LEU . 29.9 p -67.91 -29.6 68.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.408 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -48.51 -37.08 16.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 10.4 mttm -124.32 42.63 3.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . 0.462 ' N ' ' CD ' ' A' ' 133' ' ' PRO . . . -63.16 -54.35 46.29 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . 0.462 ' CD ' ' N ' ' A' ' 132' ' ' ALA . 18.4 Cg_endo -74.96 -22.72 14.59 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.515 1.797 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . 0.47 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 5.4 tp-100 -80.26 -51.74 8.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.331 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.546 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 45.1 mt -48.93 -41.44 33.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . 0.482 ' CD2' ' CE1' ' A' ' 140' ' ' TYR . 43.9 t-80 -68.72 -44.48 73.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.592 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . 0.524 ' O ' ' CB ' ' A' ' 141' ' ' LYS . . . -61.9 -52.09 65.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.472 ' CG ' ' HA ' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -68.69 -27.38 65.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.318 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.546 ' CB ' ' O ' ' A' ' 135' ' ' LEU . . . -65.9 -50.07 65.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . 0.509 ' CE2' ' HA ' ' A' ' 93' ' ' PRO . 5.6 m-85 -82.77 -32.29 27.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.957 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.524 ' CB ' ' O ' ' A' ' 137' ' ' ALA . 0.0 OUTLIER -68.16 -48.1 66.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -85.63 131.14 34.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.284 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -82.5 -110.89 0.45 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 3.6 tt 74.16 -59.55 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 0.0 109.324 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -41.64 -69.72 0.52 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 172.35 -110.31 0.34 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 67.55 131.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 0.769 . . . . 0.0 109.975 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 58.66 87.77 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.629 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 33.3 m-70 60.49 159.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.575 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 71.4 m80 -120.58 -65.45 1.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.608 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 74.5 m80 -138.24 -64.37 0.53 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.602 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -97.2 132.07 43.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.637 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 42.6 t-80 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.567 -179.953 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 120.62 6.14 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.467 1.772 . . . . 0.0 110.998 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -156.61 -66.24 0.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 130.48 79.37 0.2 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.459 1.099 . . . . 0.0 111.033 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 22.3 p -79.39 -36.97 38.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 0.755 . . . . 0.0 110.029 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.6 mtt -80.39 130.44 35.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 111.013 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 59.28 179.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.9 p -90.26 -25.6 20.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.381 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 61.83 135.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 110.303 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 27.2 m -158.98 -60.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.422 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -169.97 -48.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.312 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -46.23 -55.61 6.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 111.031 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -49.1 -43.85 41.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.487 ' HG2' ' CE2' ' A' ' 13' ' ' PHE . 13.7 ttm105 -70.69 -35.67 72.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.572 HD13 ' CD1' ' A' ' 47' ' ' PHE . 40.5 mt -59.83 -42.46 89.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.4 mt -53.62 -33.03 53.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.524 ' CD1' ' CD1' ' A' ' 16' ' ' ILE . 0.2 OUTLIER -72.84 -47.65 44.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.487 ' CE2' ' HG2' ' A' ' 9' ' ' ARG . 11.1 m-85 -63.88 -38.16 90.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.961 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -56.94 -60.14 4.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 110.311 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.458 ' CG ' ' O ' ' A' ' 12' ' ' LEU . 9.3 pt20 -50.44 -32.7 18.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 110.321 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.524 ' CD1' ' CD1' ' A' ' 12' ' ' LEU . 19.5 mt -71.37 -53.43 21.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.517 ' O ' ' CB ' ' A' ' 21' ' ' GLU . 9.6 ttp180 -56.32 -37.94 70.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.34 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 12.7 tp60 -67.62 -48.81 65.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 110.292 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.502 ' O ' ' CB ' ' A' ' 23' ' ' THR . 0.5 OUTLIER -67.44 -43.3 81.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.85 -51.48 55.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.556 ' HG3' ' CZ2' ' A' ' 37' ' ' TRP . 17.9 tt0 -61.05 -41.52 96.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.313 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -75.5 -26.01 57.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.502 ' CB ' ' O ' ' A' ' 19' ' ' ASP . 1.1 m -66.19 -24.59 66.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.377 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -52.72 -60.46 3.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.948 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.17 -27.9 69.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.06 -38.24 72.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.005 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 23' ' ' THR . 0.7 OUTLIER -169.38 91.8 0.56 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 109.336 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 0.6 8.69 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.512 1.796 . . . . 0.0 110.982 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.521 ' O ' ' CG2' ' A' ' 70' ' ' ILE . 7.8 mt -88.53 -30.28 19.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.16 99.13 0.25 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.343 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.427 ' HB1' ' CA ' ' A' ' 67' ' ' ALA . . . -72.81 -37.71 67.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -50.88 -54.77 21.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.476 ' CB ' HG22 ' A' ' 23' ' ' THR . 0.8 OUTLIER -66.18 -37.11 84.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.428 ' CD1' ' HB3' ' A' ' 66' ' ' GLU . 0.5 OUTLIER -57.76 -56.21 24.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.438 ' CG2' ' HG2' ' A' ' 76' ' ' GLU . 1.7 m -58.83 -36.91 75.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.374 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.467 ' CD ' HG22 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -70.47 -27.24 64.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.556 ' CZ2' ' HG3' ' A' ' 21' ' ' GLU . 13.0 t90 -67.54 -26.95 66.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 107.96 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.576 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -83.53 -58.06 2.35 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.547 1.154 . . . . 0.0 110.975 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 38' ' ' GLY . . . -37.69 -45.73 1.51 Allowed Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.459 ' CG1' ' N ' ' A' ' 41' ' ' LEU . 0.8 OUTLIER -67.32 -46.83 82.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 0.748 . . . . 0.0 109.297 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.464 HD12 ' CG ' ' A' ' 59' ' ' GLU . 12.5 mt -48.74 -44.3 38.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.441 HD21 ' CB ' ' A' ' 60' ' ' ALA . 14.0 mt -65.5 -38.2 89.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -65.86 -58.51 5.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.262 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.56 HD23 ' CE2' ' A' ' 47' ' ' PHE . 3.3 mt -61.86 -26.43 68.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.6 m -58.46 -36.16 73.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.0 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.46 ' HG2' ' N ' ' A' ' 47' ' ' PHE . 4.7 pt20 -67.95 -37.0 81.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.33 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.572 ' CD1' HD13 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -80.65 -19.33 45.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.978 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -78.78 -92.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.582 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.1 t 172.04 148.83 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.967 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.43 ' CG1' ' CD2' ' A' ' 91' ' ' LEU . 0.1 OUTLIER -45.57 -50.37 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.55 ' HA ' ' CE ' ' A' ' 54' ' ' LYS . 41.1 t -43.45 -56.33 3.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.992 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -77.47 -43.57 31.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -45.43 -51.32 11.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.337 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.55 ' CE ' ' HA ' ' A' ' 51' ' ' SER . 6.0 mtmp? -48.75 -46.08 40.62 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 109.236 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -73.79 -50.62 19.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 110.284 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 98.2 mtp -53.63 -29.73 39.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 111.02 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 20.3 mt -72.73 -50.75 31.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -45.45 -54.82 6.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.149 . . . . 0.0 110.272 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.464 ' CG ' HD12 ' A' ' 41' ' ' LEU . 3.9 pt-20 -64.79 -36.53 84.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 110.276 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.441 ' CB ' HD21 ' A' ' 42' ' ' LEU . . . -59.53 -28.74 67.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.404 HG21 ' N ' ' A' ' 62' ' ' THR . 0.6 OUTLIER -81.13 -56.26 6.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.288 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.404 ' N ' HG21 ' A' ' 61' ' ' ILE . 70.3 p -49.78 -25.94 3.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.414 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.555 ' HE3' ' CH2' ' A' ' 37' ' ' TRP . 0.1 OUTLIER -73.78 -48.77 29.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.576 ' CE1' ' HA3' ' A' ' 38' ' ' GLY . 22.4 m-85 -56.52 -44.22 80.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -50.78 -55.42 16.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.311 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.428 ' HB3' ' CD1' ' A' ' 34' ' ' LEU . 1.5 tp10 -56.43 -36.77 69.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.577 1.173 . . . . 0.0 110.301 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.427 ' CA ' ' HB1' ' A' ' 31' ' ' ALA . . . -64.81 -46.51 81.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 16.3 mt -57.48 -32.86 67.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.69 -33.73 76.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.137 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.521 ' CG2' ' O ' ' A' ' 29' ' ' LEU . 6.3 mt -74.78 -44.08 46.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -151.8 112.29 2.93 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.128 . . . . 0.0 109.297 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -7.43 19.11 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.485 1.782 . . . . 0.0 110.984 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 75' ' ' ASP . 1.3 mttt -82.81 -7.21 59.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.3 tptt -65.72 74.9 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.4 OUTLIER -51.9 -28.48 16.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.254 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.509 ' HG3' ' CE3' ' A' ' 79' ' ' TRP . 25.4 tt0 -68.7 -51.24 43.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.449 1.093 . . . . 0.0 110.301 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.26 -32.28 36.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.333 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.422 ' CG1' ' HB2' ' A' ' 111' ' ' GLN . 19.1 t -74.68 -52.71 18.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.509 ' CE3' ' HG3' ' A' ' 76' ' ' GLU . 0.4 OUTLIER -59.26 -46.08 89.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 108.022 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.561 ' HB3' ' CZ ' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -50.06 -52.63 32.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 108.306 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.573 HG22 ' CZ ' ' A' ' 108' ' ' PHE . 66.8 mt -51.99 -37.21 21.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.486 ' HA3' ' CE1' ' A' ' 109' ' ' PHE . . . -72.57 -43.02 45.82 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.524 1.14 . . . . 0.0 110.992 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -64.43 -34.45 78.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 0.775 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.83 -54.56 13.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.521 ' CE2' HG21 ' A' ' 81' ' ' ILE . 4.5 m-85 -57.89 -46.55 84.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.977 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 53.1 m -55.83 -46.84 78.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 110.368 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 39.2 m -66.7 -51.62 53.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 110.018 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -53.74 -34.01 57.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.439 ' HB2' ' CE2' ' A' ' 102' ' ' PHE . . . -57.58 -50.39 73.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.402 ' CE2' ' HZ ' ' A' ' 102' ' ' PHE . 49.2 m-85 -56.09 -25.25 44.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.43 ' CD2' ' CG1' ' A' ' 50' ' ' ILE . 0.6 OUTLIER -92.16 16.99 10.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.323 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.448 ' O ' ' NE2' ' A' ' 136' ' ' HIS . 0.9 OUTLIER -133.88 118.17 14.22 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.398 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.466 ' HA ' ' CE2' ' A' ' 140' ' ' TYR . 18.3 Cg_endo -75.02 -24.96 12.28 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.479 1.778 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.87 85.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 93' ' ' PRO . 92.4 mt-10 -39.16 -47.61 1.62 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.291 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.462 ' CG2' ' N ' ' A' ' 97' ' ' GLU . 15.2 t -52.81 -52.83 55.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 110.402 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.462 ' N ' ' CG2' ' A' ' 96' ' ' THR . 3.4 mt-10 -68.49 -49.03 62.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.289 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -53.75 -52.98 58.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.248 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.1 tttm -60.26 -51.88 67.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.549 ' CD2' ' C ' ' A' ' 100' ' ' HIS . 0.2 OUTLIER -49.52 -43.65 45.72 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.098 . . . . 0.0 109.652 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . 0.48 ' ND2' ' CD1' ' A' ' 85' ' ' TYR . 0.9 OUTLIER -62.95 -56.63 15.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.485 ' CD1' ' HB1' ' A' ' 132' ' ' ALA . 8.6 m-85 -50.98 -41.46 59.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 111.01 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -72.53 -20.5 61.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -77.13 -48.32 18.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.567 ' HB1' ' CZ ' ' A' ' 109' ' ' PHE . . . -59.97 -24.33 64.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.7 m -63.22 -54.79 31.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.137 . . . . 0.0 110.447 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.414 ' HG3' ' N ' ' A' ' 108' ' ' PHE . 0.7 OUTLIER -56.87 -23.01 41.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.246 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.573 ' CZ ' HG22 ' A' ' 81' ' ' ILE . 13.7 m-85 -82.24 -47.93 11.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.567 ' CZ ' ' HB1' ' A' ' 105' ' ' ALA . 21.2 m-85 -53.83 -37.04 63.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 0.0 110.991 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.04 -29.6 60.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.29 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.422 ' HB2' ' CG1' ' A' ' 78' ' ' VAL . 38.2 mt-30 -80.79 -43.19 20.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 110.307 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.69 -44.34 97.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.465 ' O ' ' N ' ' A' ' 117' ' ' PRO . 5.7 m -71.63 -37.64 64.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.81 -49.09 15.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.341 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -64.71 -40.94 96.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 110.246 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -160.06 90.69 1.78 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 110.304 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.465 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.0 Cg_endo -75.07 -3.53 14.05 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.512 1.796 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -88.44 -2.55 58.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -74.1 116.82 15.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 66.5 p -58.2 -23.79 56.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 110.383 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.432 ' H ' ' CD2' ' A' ' 121' ' ' HIS . 4.4 m-70 -71.61 -59.13 2.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.589 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.466 ' CD1' ' N ' ' A' ' 122' ' ' TYR . 7.2 m-30 -60.88 -35.17 75.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 111.017 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.516 ' C ' ' CD2' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -55.48 -46.03 76.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.427 ' N ' HD11 ' A' ' 123' ' ' LEU . 1.7 tptm -63.36 -41.08 98.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.63 -40.34 83.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.962 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.401 ' O ' ' OG1' ' A' ' 129' ' ' THR . 16.6 tp -72.59 -42.89 64.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.258 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.81 -32.91 74.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.32 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 31.1 mmm -58.72 -32.8 69.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 126' ' ' LEU . 15.8 p -68.62 -33.71 74.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.385 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -42.06 -39.86 2.08 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -125.29 44.87 2.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . 0.53 ' N ' ' CD ' ' A' ' 133' ' ' PRO . . . -64.24 -51.14 63.77 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . 0.53 ' CD ' ' N ' ' A' ' 132' ' ' ALA . 18.4 Cg_endo -75.01 -25.06 12.2 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.457 1.767 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . 0.44 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 64.2 mm-40 -80.27 -50.78 9.73 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 110.292 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.543 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 40.5 mt -48.98 -39.16 25.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . 0.638 ' CD2' ' CE1' ' A' ' 140' ' ' TYR . 48.3 t-80 -70.24 -44.74 67.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.569 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . 0.522 ' O ' ' CB ' ' A' ' 141' ' ' LYS . . . -61.77 -51.77 66.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.479 ' CG ' ' HA ' ' A' ' 135' ' ' LEU . 0.1 OUTLIER -68.44 -27.58 66.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.292 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.543 ' CB ' ' O ' ' A' ' 135' ' ' LEU . . . -66.61 -50.3 63.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . 0.638 ' CE1' ' CD2' ' A' ' 136' ' ' HIS . 5.2 m-85 -81.5 -35.5 30.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 110.962 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.522 ' CB ' ' O ' ' A' ' 137' ' ' ALA . 0.1 OUTLIER -62.29 -47.63 83.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -85.34 123.27 30.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.288 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -125.37 64.88 0.56 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.465 1.103 . . . . 0.0 110.988 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 4.4 mt -148.84 -62.09 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 0.772 . . . . 0.0 109.312 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 61.53 114.84 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.536 1.148 . . . . 0.0 111.016 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -97.42 -177.86 34.21 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 149' ' ' HIS . 0.4 OUTLIER -169.15 174.76 6.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 0.781 . . . . 0.0 110.008 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 65.29 -76.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.585 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . 0.429 ' N ' ' O ' ' A' ' 147' ' ' SER . 54.3 m-70 -87.0 120.11 27.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.586 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . 0.429 ' O ' ' CD2' ' A' ' 150' ' ' HIS . 0.6 OUTLIER -95.04 65.75 2.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.615 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -63.79 173.93 1.6 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.572 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 -140.9 142.14 34.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.169 . . . . 0.0 109.546 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.633 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -57.68 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.508 1.794 . . . . 0.0 110.987 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 41.25 86.8 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -152.42 -151.78 5.76 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.514 1.134 . . . . 0.0 111.037 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.05 -27.34 33.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 0.766 . . . . 0.0 110.008 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER 58.88 98.87 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.466 1.104 . . . . 0.0 110.993 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -68.03 178.12 1.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.52 163.29 25.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 110.404 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.96 143.2 43.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 110.284 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.535 ' O ' ' CB ' ' A' ' 6' ' ' GLU . 2.1 p -145.61 -56.46 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.443 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.535 ' CB ' ' O ' ' A' ' 5' ' ' THR . 0.0 OUTLIER 89.51 -24.78 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.16 . . . . 0.0 110.247 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.451 ' O ' ' N ' ' A' ' 10' ' ' ILE . 24.6 m-85 -64.08 -54.22 37.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 111.029 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -47.77 -32.87 6.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.457 ' CG ' ' CE2' ' A' ' 13' ' ' PHE . 9.9 ttm180 -75.9 -33.2 59.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.305 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.451 ' N ' ' O ' ' A' ' 7' ' ' PHE . 72.4 mt -59.09 -44.71 92.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 0.0 109.339 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.2 mt -55.24 -40.33 70.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.275 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.462 ' CD1' HD12 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -61.85 -49.15 77.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.457 ' CE2' ' CG ' ' A' ' 9' ' ' ARG . 11.3 m-85 -63.79 -26.81 68.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -66.24 -53.26 39.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 110.292 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.523 ' HG3' ' N ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -57.75 -29.81 65.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.266 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.523 ' N ' ' HG3' ' A' ' 15' ' ' GLN . 55.9 mt -71.63 -50.76 37.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.0 ttm180 -50.67 -47.17 58.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.268 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.437 ' HG3' ' N ' ' A' ' 19' ' ' ASP . 19.0 pt20 -67.25 -43.86 80.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.329 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.46 ' O ' ' CB ' ' A' ' 23' ' ' THR . 0.2 OUTLIER -64.62 -40.39 95.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.473 ' CB ' ' HB2' ' A' ' 37' ' ' TRP . . . -73.52 -51.46 16.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.578 ' HG3' ' CZ2' ' A' ' 37' ' ' TRP . 16.1 tt0 -58.94 -45.59 90.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 110.347 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 21.0 t30 -66.0 -52.15 51.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.266 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.46 ' CB ' ' O ' ' A' ' 19' ' ' ASP . 16.3 m -53.58 -23.84 12.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.4 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.429 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 6.0 t80 -52.46 -56.93 11.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.69 -32.36 70.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.352 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.48 -21.28 62.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.029 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 23' ' ' THR . 1.8 m120 -169.66 82.58 0.63 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -1.75 11.63 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.52 1.8 . . . . 0.0 111.036 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.43 ' O ' ' CG2' ' A' ' 70' ' ' ILE . 9.3 mt -100.47 8.43 43.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -90.49 98.74 11.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.7 -24.3 63.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.243 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -72.97 -49.71 27.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.442 ' ND2' HG23 ' A' ' 23' ' ' THR . 7.8 t-20 -64.35 -38.02 89.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.499 ' CD2' ' HG3' ' A' ' 63' ' ' LYS . 0.7 OUTLIER -64.01 -48.69 75.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 62.4 m -60.35 -39.37 86.91 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.51 1.131 . . . . 0.0 110.415 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.3 ttm180 -70.48 -47.2 61.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.301 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.595 ' CE3' ' HG2' ' A' ' 63' ' ' LYS . 14.3 t90 -50.08 -27.12 5.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 107.993 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.578 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -84.9 -58.2 2.16 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.515 1.135 . . . . 0.0 110.994 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -40.22 -43.95 2.82 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.47 ' CG1' ' N ' ' A' ' 41' ' ' LEU . 1.0 OUTLIER -67.37 -48.1 78.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.498 0.763 . . . . 0.0 109.341 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.481 HD13 ' CG ' ' A' ' 59' ' ' GLU . 14.0 mt -48.22 -42.84 31.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.404 HD23 ' CB ' ' A' ' 60' ' ' ALA . 18.6 mt -65.53 -37.94 88.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -65.69 -58.89 4.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.276 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.6 mt -61.99 -25.37 67.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.89 -37.59 85.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.981 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.463 ' HG2' ' N ' ' A' ' 47' ' ' PHE . 0.6 OUTLIER -62.18 -37.06 83.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 110.32 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.723 ' CZ ' ' CE1' ' A' ' 48' ' ' HIS . 0.0 OUTLIER -80.73 -31.11 36.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.723 ' CE1' ' CZ ' ' A' ' 47' ' ' PHE . 14.0 m-70 -79.57 148.81 31.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.579 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 53' ' ' ALA . 49.1 m -51.37 158.71 0.8 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 110.04 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.473 HG23 ' CD ' ' A' ' 54' ' ' LYS . 0.2 OUTLIER -53.54 -48.67 58.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.277 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.453 ' N ' HG22 ' A' ' 50' ' ' ILE . 0.3 OUTLIER -49.8 -56.39 10.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 110.004 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.497 ' O ' ' CG ' ' A' ' 56' ' ' MET . 21.6 m-20 -69.1 -24.87 64.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.474 ' N ' ' O ' ' A' ' 49' ' ' SER . . . -67.25 -48.7 66.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.473 ' CD ' HG23 ' A' ' 50' ' ' ILE . 0.3 OUTLIER -59.32 -58.71 7.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.264 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.42 ' HG2' ' O ' ' A' ' 52' ' ' ASP . 1.9 pt20 -53.9 -39.74 66.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 110.327 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.497 ' CG ' ' O ' ' A' ' 52' ' ' ASP . 8.0 mmm -70.49 -33.17 70.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 111.0 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.418 ' CG2' ' HB2' ' A' ' 88' ' ' PHE . 19.3 mt -72.97 -46.85 50.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -49.31 -54.95 14.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 110.322 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.481 ' CG ' HD13 ' A' ' 41' ' ' LEU . 4.3 pt-20 -62.38 -34.73 77.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.274 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.453 ' N ' ' HG2' ' A' ' 59' ' ' GLU . . . -59.73 -30.01 68.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.346 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -79.56 -54.31 11.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.244 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 72.2 p -49.93 -30.75 10.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 110.379 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.595 ' HG2' ' CE3' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -69.46 -49.17 57.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.578 ' CE1' ' HA3' ' A' ' 38' ' ' GLY . 22.4 m-85 -56.17 -42.44 77.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -49.36 -55.3 13.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.108 . . . . 0.0 110.297 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -60.2 -34.02 73.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 110.3 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.81 -44.77 88.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 12.7 mt -59.72 -28.77 67.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.07 -33.98 72.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.43 ' CG2' ' O ' ' A' ' 29' ' ' LEU . 6.0 mt -74.5 -45.38 45.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -145.95 111.32 4.45 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -13.69 21.45 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.482 1.78 . . . . 0.0 110.994 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.5 ptmt -82.77 1.25 39.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.0 tptp -73.44 70.86 1.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.405 ' CG ' ' CB ' ' A' ' 115' ' ' GLU . 0.5 OUTLIER -51.59 -31.91 26.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 109.276 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.467 ' HG3' ' CE3' ' A' ' 79' ' ' TRP . 3.7 tp10 -62.97 -47.69 82.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.269 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.4 -33.02 58.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.479 ' CG1' ' HB2' ' A' ' 111' ' ' GLN . 41.5 t -74.63 -53.23 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.467 ' CE3' ' HG3' ' A' ' 76' ' ' GLU . 0.8 OUTLIER -58.54 -50.96 71.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 108.02 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.534 ' SG ' ' CZ ' ' A' ' 64' ' ' PHE . 0.5 OUTLIER -50.62 -50.47 54.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 108.318 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.579 HG22 ' CZ ' ' A' ' 108' ' ' PHE . 29.7 mt -51.93 -38.57 23.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.483 ' CA ' ' HB3' ' A' ' 105' ' ' ALA . . . -71.6 -38.52 61.49 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -64.63 -35.12 79.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 0.734 . . . . 0.0 109.305 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.61 -55.45 11.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.35 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -55.89 -40.2 72.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 111.023 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 49.5 m -61.44 -52.25 65.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 110.4 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 32.7 t -60.75 -52.0 66.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.969 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.418 ' HB2' ' CG2' ' A' ' 57' ' ' ILE . 53.9 t80 -52.5 -34.19 48.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 111.008 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.97 -50.24 69.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.411 ' O ' ' OH ' ' A' ' 140' ' ' TYR . 30.7 m-85 -56.39 -17.62 8.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.45 ' CD2' HG13 ' A' ' 50' ' ' ILE . 34.1 mt -95.83 -19.07 19.89 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.496 1.122 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -97.22 116.14 65.9 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.351 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.44 ' O ' ' N ' ' A' ' 95' ' ' GLU . 18.3 Cg_endo -74.97 -24.83 12.49 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.516 1.798 . . . . 0.0 110.977 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -59.06 86.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.275 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 93' ' ' PRO . 43.0 mt-10 -40.95 -47.53 3.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.312 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.429 ' CG2' ' N ' ' A' ' 97' ' ' GLU . 1.8 t -53.09 -46.53 68.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.374 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.429 ' N ' ' CG2' ' A' ' 96' ' ' THR . 5.5 mm-40 -75.87 -50.07 16.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.27 -54.03 45.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.25 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.6 ttpt -53.22 -47.05 69.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -58.98 -45.66 90.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.597 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -61.03 -53.98 50.51 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.523 ' CE2' ' HB2' ' A' ' 136' ' ' HIS . 8.8 m-85 -50.71 -42.54 57.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.099 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.79 -20.95 59.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.414 ' O ' ' CG ' ' A' ' 107' ' ' GLN . 0.0 OUTLIER -73.52 -51.55 16.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.252 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.483 ' HB3' ' CA ' ' A' ' 82' ' ' GLY . . . -59.65 -24.82 64.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.337 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.6 m -64.97 -54.74 25.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.415 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.414 ' CG ' ' O ' ' A' ' 104' ' ' LEU . 1.2 pt20 -53.79 -23.43 12.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.579 ' CZ ' HG22 ' A' ' 81' ' ' ILE . 4.9 m-85 -82.48 -47.95 11.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 111.037 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.575 ' CD2' HG23 ' A' ' 129' ' ' THR . 13.1 m-85 -54.11 -25.58 22.73 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.21 -30.66 70.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 110.268 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.479 ' HB2' ' CG1' ' A' ' 78' ' ' VAL . 33.3 mt-30 -81.26 -35.11 31.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.328 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.2 -50.35 72.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.472 ' CG1' ' HB3' ' A' ' 122' ' ' TYR . 3.9 m -70.51 -39.86 76.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -45.15 -48.93 12.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.405 ' CB ' ' CG ' ' A' ' 75' ' ' ASP . 3.9 mm-40 -63.65 -44.29 94.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.442 ' O ' ' CG ' ' A' ' 116' ' ' GLN . 2.1 tt0 -156.16 89.24 2.81 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.293 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.463 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.3 Cg_endo -74.96 -3.63 14.21 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.54 1.81 . . . . 0.0 111.016 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -86.75 2.13 49.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 109.336 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -81.94 117.76 22.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 44.7 p -58.16 -29.75 65.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 110.414 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.424 ' CD2' ' H ' ' A' ' 121' ' ' HIS . 5.2 m-70 -66.91 -59.72 3.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.572 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.472 ' HB3' ' CG1' ' A' ' 113' ' ' VAL . 13.9 m-30 -55.86 -33.85 64.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 111.012 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.561 ' C ' ' CD2' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -60.34 -48.05 83.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.421 ' N ' HD11 ' A' ' 123' ' ' LEU . 1.8 tptp -59.37 -39.26 82.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.341 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.49 -44.13 76.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.012 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.417 ' O ' ' OG1' ' A' ' 129' ' ' THR . 1.9 tp -70.89 -34.02 71.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -67.96 -44.77 75.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.32 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.06 -42.68 93.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 111.004 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.575 HG23 ' CD2' ' A' ' 109' ' ' PHE . 2.6 p -55.85 -28.66 57.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.401 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -44.79 -52.01 8.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.533 ' O ' ' CG ' ' A' ' 135' ' ' LEU . 12.7 mttt -107.04 45.32 0.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . 0.543 ' N ' ' CD ' ' A' ' 133' ' ' PRO . . . -63.79 -49.92 73.59 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . 0.543 ' CD ' ' N ' ' A' ' 132' ' ' ALA . 18.2 Cg_endo -75.03 -26.52 10.79 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.48 1.779 . . . . 0.0 110.991 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 61.6 mm-40 -79.69 -49.76 11.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.238 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.585 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 6.7 mt -48.3 -42.16 30.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . 0.616 ' CD2' ' CE1' ' A' ' 140' ' ' TYR . 18.9 t-80 -67.57 -43.5 80.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.66 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . 0.407 ' O ' ' HB3' ' A' ' 141' ' ' LYS . . . -61.86 -52.44 64.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.469 ' CG ' ' HA ' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -68.66 -32.72 72.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.313 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.585 ' CB ' ' O ' ' A' ' 135' ' ' LEU . . . -63.61 -39.39 94.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.34 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . 0.616 ' CE1' ' CD2' ' A' ' 136' ' ' HIS . 4.2 m-85 -88.25 -37.18 16.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 111.031 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.407 ' HB3' ' O ' ' A' ' 137' ' ' ALA . 2.9 tttp -65.77 -48.34 72.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 109.261 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -78.71 119.0 21.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.325 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 89.87 146.1 14.16 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.558 1.161 . . . . 0.0 110.991 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 62.11 99.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 0.773 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . 0.423 ' HA3' ' CD2' ' A' ' 149' ' ' HIS . . . -136.32 95.15 0.24 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.485 1.116 . . . . 0.0 111.008 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -40.84 155.41 0.06 OUTLIER Glycine 0 CA--C 1.531 1.049 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 15.8 p -40.78 114.31 0.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 0.773 . . . . 0.0 110.001 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 66.56 70.39 0.4 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.605 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . 0.511 ' CG ' ' O ' ' A' ' 149' ' ' HIS . 8.1 p80 -101.42 68.73 1.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.623 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 37.7 m80 66.0 135.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.612 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 2.5 m170 -89.44 98.32 11.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.571 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.02 124.05 15.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.583 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.531 -179.961 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -50.75 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.42 1.747 . . . . 0.0 110.993 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 1.7 mt 64.25 74.75 0.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -158.08 -178.2 31.89 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.536 1.147 . . . . 0.0 110.992 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 3.6 m -79.09 -31.52 44.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 0.774 . . . . 0.0 109.984 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER 70.91 -62.74 0.44 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 111.025 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 73.06 -62.58 0.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.0 t -132.24 151.16 51.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 110.376 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -177.42 132.84 0.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 110.36 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.564 ' O ' ' CG ' ' A' ' 6' ' ' GLU . 8.9 t -71.31 -49.41 42.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.357 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.564 ' CG ' ' O ' ' A' ' 5' ' ' THR . 0.0 OUTLIER 90.85 -25.97 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.558 ' CD2' ' OG1' ' A' ' 5' ' ' THR . 23.0 m-85 -60.55 -55.08 37.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.1 -37.47 15.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.44 ' CG ' ' CE2' ' A' ' 13' ' ' PHE . 7.2 ttm180 -66.96 -36.17 81.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.303 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.634 ' CD1' ' CG ' ' A' ' 47' ' ' PHE . 5.5 mt -62.42 -47.0 95.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.357 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.2 mt -54.16 -31.54 52.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.442 ' HG ' ' N ' ' A' ' 13' ' ' PHE . 0.1 OUTLIER -74.45 -43.1 57.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.537 ' CD1' HG23 ' A' ' 40' ' ' VAL . 5.4 m-85 -63.88 -33.85 76.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 110.978 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -62.11 -52.84 62.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.314 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.46 ' HG3' ' N ' ' A' ' 16' ' ' ILE . 1.0 OUTLIER -57.57 -29.26 64.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.297 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.46 ' N ' ' HG3' ' A' ' 15' ' ' GLN . 37.5 mt -71.32 -53.03 22.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.5 ' O ' ' CB ' ' A' ' 21' ' ' GLU . 0.1 OUTLIER -55.89 -38.8 70.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -67.23 -47.44 70.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.406 ' O ' ' OG1' ' A' ' 23' ' ' THR . 0.3 OUTLIER -68.89 -43.24 75.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.327 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.95 -57.5 6.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.566 ' HG3' ' CZ2' ' A' ' 37' ' ' TRP . 14.3 tt0 -50.96 -37.47 44.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.291 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.401 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 37.4 t30 -75.47 -43.82 47.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.436 1.085 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' A' ' 19' ' ' ASP . 20.8 m -53.64 -23.0 9.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.38 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -52.7 -61.58 2.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.972 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 22' ' ' ASN . 0.0 OUTLIER -60.43 -29.71 69.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.62 -24.32 62.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.046 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.485 ' C ' ' H ' ' A' ' 29' ' ' LEU . 7.0 t-20 -169.6 84.56 0.61 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 23.28 0.4 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.508 1.794 . . . . 0.0 111.007 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.498 ' O ' ' CG2' ' A' ' 70' ' ' ILE . 8.7 mt -132.35 8.19 4.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.478 ' CG ' ' O ' ' A' ' 27' ' ' ASN . 17.6 p30 -90.74 99.44 12.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.344 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.15 -30.71 69.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.338 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -61.44 -49.65 75.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.445 ' O ' ' N ' ' A' ' 37' ' ' TRP . 26.5 t30 -68.28 -47.08 68.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.143 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.07 -51.31 54.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 54.4 m -59.32 -41.29 88.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.359 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.53 -33.17 70.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.304 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.652 ' CH2' ' NZ ' ' A' ' 63' ' ' LYS . 13.9 t90 -67.46 -27.25 66.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 108.014 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.483 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -84.17 -55.7 2.71 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.485 1.116 . . . . 0.0 111.004 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -38.87 -46.14 2.23 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.537 HG23 ' CD1' ' A' ' 13' ' ' PHE . 3.5 p -67.4 -47.5 80.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.484 0.755 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.478 HD13 ' CG ' ' A' ' 59' ' ' GLU . 12.6 mt -48.37 -43.9 34.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.11 . . . . 0.0 109.282 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 17.1 mt -64.25 -38.32 90.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.524 ' HG3' ' CZ ' ' A' ' 13' ' ' PHE . 38.0 mm-40 -65.78 -60.67 2.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.447 ' CD2' HG22 ' A' ' 10' ' ' ILE . 6.7 mt -62.2 -24.83 67.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.86 -44.15 70.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.978 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.476 ' CG ' ' N ' ' A' ' 47' ' ' PHE . 3.1 pt20 -67.69 -45.15 75.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.634 ' CG ' ' CD1' ' A' ' 10' ' ' ILE . 26.0 t80 -63.62 -22.47 66.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.994 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 46.2 m-70 -97.46 144.53 27.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.617 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -42.5 155.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.018 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.426 HG23 ' CD ' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -54.67 -48.67 71.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 109.298 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.42 ' N ' HG22 ' A' ' 50' ' ' ILE . 22.6 t -44.67 -56.46 4.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.995 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.8 -37.42 70.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -47.91 -54.48 12.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.426 ' CD ' HG23 ' A' ' 50' ' ' ILE . 18.7 mtpt -57.73 -50.78 72.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 52.7 mm-40 -55.17 -41.62 72.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.137 . . . . 0.0 110.332 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.434 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 60.3 mtp -70.44 -31.98 69.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.959 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.473 ' CG2' ' HB2' ' A' ' 88' ' ' PHE . 11.6 mt -73.03 -52.64 21.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -46.69 -54.66 9.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.31 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.515 ' HA ' ' CG2' ' A' ' 62' ' ' THR . 8.6 pt-20 -60.63 -37.66 82.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.459 ' N ' ' HG3' ' A' ' 59' ' ' GLU . . . -60.54 -39.92 89.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.421 HG23 ' N ' ' A' ' 62' ' ' THR . 0.3 OUTLIER -62.7 -63.04 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.515 ' CG2' ' HA ' ' A' ' 59' ' ' GLU . 1.4 t -48.97 -25.77 2.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 110.393 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.652 ' NZ ' ' CH2' ' A' ' 37' ' ' TRP . 11.2 mttm -70.62 -51.63 26.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.551 ' CZ ' ' HB3' ' A' ' 80' ' ' CYS . 22.6 m-85 -56.32 -33.6 65.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 111.01 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -57.73 -55.46 34.61 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.128 . . . . 0.0 110.304 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -56.21 -38.55 71.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 110.277 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.92 -43.87 97.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.47 HD21 ' CG2' ' A' ' 78' ' ' VAL . 28.0 mt -60.39 -31.29 70.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.87 -31.46 70.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.498 ' CG2' ' O ' ' A' ' 29' ' ' LEU . 5.9 mt -76.07 -41.62 38.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -154.73 114.28 2.4 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.135 . . . . 0.0 109.264 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -5.79 17.24 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.504 1.792 . . . . 0.0 111.021 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 75' ' ' ASP . 7.3 mmtm -82.73 -7.02 59.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.82 69.63 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.3 OUTLIER -51.97 -33.34 37.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.502 ' HG3' ' CE3' ' A' ' 79' ' ' TRP . 41.5 tt0 -65.19 -46.1 82.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.254 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.31 -32.44 56.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.326 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.47 ' CG2' HD21 ' A' ' 68' ' ' LEU . 29.0 t -74.53 -53.71 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.502 ' CE3' ' HG3' ' A' ' 76' ' ' GLU . 0.6 OUTLIER -58.17 -44.29 87.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 108.029 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.551 ' HB3' ' CZ ' ' A' ' 64' ' ' PHE . 0.7 OUTLIER -50.42 -51.76 43.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 108.284 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.571 HG22 ' CZ ' ' A' ' 108' ' ' PHE . 74.3 mt -52.04 -48.51 41.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -61.88 -43.21 99.51 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.455 1.097 . . . . 0.0 110.947 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -63.27 -40.61 97.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 0.771 . . . . 0.0 109.357 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.403 ' CB ' HD11 ' A' ' 61' ' ' ILE . . . -66.52 -52.55 44.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 109.33 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.615 ' CE2' HD12 ' A' ' 104' ' ' LEU . 3.1 m-85 -56.82 -43.4 81.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 18.1 m -58.01 -54.04 51.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.376 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 38.8 m -59.07 -51.19 71.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.972 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.473 ' HB2' ' CG2' ' A' ' 57' ' ' ILE . 27.3 t80 -54.39 -33.28 58.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.564 1.165 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.528 ' HB3' ' CE2' ' A' ' 102' ' ' PHE . . . -64.01 -45.88 86.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.419 ' CE2' ' CZ ' ' A' ' 102' ' ' PHE . 37.0 m-85 -61.83 -17.66 57.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 110.992 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 36.9 mt -93.96 -18.77 21.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.43 ' O ' ' NE2' ' A' ' 136' ' ' HIS . 0.8 OUTLIER -95.07 120.66 63.95 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 110.417 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.573 ' HA ' ' CE2' ' A' ' 140' ' ' TYR . 18.6 Cg_endo -74.92 -27.61 10.02 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.534 1.807 . . . . 0.0 111.071 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.93 93.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -43.06 -47.51 5.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.6 m -52.61 -56.58 14.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.117 . . . . 0.0 110.425 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -65.83 -48.8 70.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 110.267 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.652 ' CB ' ' CE1' ' A' ' 136' ' ' HIS . . . -53.25 -52.95 57.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.91 -55.98 27.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.171 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.537 ' CD2' ' C ' ' A' ' 100' ' ' HIS . 0.2 OUTLIER -49.03 -40.7 32.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.563 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -64.17 -53.89 42.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.575 ' CE2' ' HB2' ' A' ' 136' ' ' HIS . 11.3 m-85 -56.5 -44.47 80.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 110.972 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -74.77 -24.84 58.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.615 HD12 ' CE2' ' A' ' 85' ' ' TYR . 0.4 OUTLIER -76.93 -38.28 53.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.82 -23.13 66.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.332 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.5 m -65.09 -53.53 44.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.38 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.438 ' CG ' ' O ' ' A' ' 104' ' ' LEU . 1.0 OUTLIER -49.67 -25.71 3.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.278 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.571 ' CZ ' HG22 ' A' ' 81' ' ' ILE . 4.9 m-85 -82.65 -48.11 11.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 110.981 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.464 ' CD2' ' CG2' ' A' ' 129' ' ' THR . 14.7 m-85 -54.73 -33.08 60.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 111.031 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -60.68 -29.03 69.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 0.0 110.306 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.46 ' HB2' ' CG1' ' A' ' 78' ' ' VAL . 28.0 mt-30 -80.49 -40.57 25.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.283 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -52.93 -51.92 59.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.258 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 117' ' ' PRO . 6.2 m -68.53 -36.19 73.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -46.3 -51.01 15.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.268 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -65.25 -39.93 93.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 110.317 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.454 ' CG ' ' O ' ' A' ' 116' ' ' GLN . 1.5 tt0 -160.28 92.14 1.67 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.334 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.457 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.4 Cg_endo -74.95 -4.25 15.12 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.509 1.794 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -87.72 5.5 39.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -83.8 120.31 25.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 70.3 p -55.96 -50.95 69.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.419 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.428 ' CD2' ' H ' ' A' ' 121' ' ' HIS . 12.4 m-70 -49.95 -58.0 6.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.649 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.448 ' HB3' ' CG1' ' A' ' 113' ' ' VAL . 10.1 m-30 -53.8 -37.2 63.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.55 ' C ' ' CD2' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -60.35 -44.82 95.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.421 ' N ' HD12 ' A' ' 123' ' ' LEU . 0.1 OUTLIER -63.76 -39.36 94.09 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.491 1.119 . . . . 0.0 109.25 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.408 ' O ' ' CG2' ' A' ' 129' ' ' THR . 1.1 m -55.66 -46.67 77.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.989 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 3.0 tp -69.19 -34.61 75.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.347 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -68.08 -41.94 81.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 110.33 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 12.3 mmm -62.62 -48.91 77.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.464 ' CG2' ' CD2' ' A' ' 109' ' ' PHE . 81.5 p -53.64 -24.91 15.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 110.414 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -43.85 -40.74 4.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.442 ' O ' ' CG ' ' A' ' 135' ' ' LEU . 0.8 OUTLIER -122.4 47.84 1.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.312 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . 0.573 ' N ' ' CD ' ' A' ' 133' ' ' PRO . . . -64.78 -48.41 72.91 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . 0.573 ' CD ' ' N ' ' A' ' 132' ' ' ALA . 18.1 Cg_endo -75.04 -28.04 9.45 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.5 1.79 . . . . 0.0 110.969 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . 0.439 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 2.9 mt-30 -80.26 -45.74 17.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.255 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.553 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 24.5 mt -54.37 -38.65 66.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . 0.652 ' CE1' ' CB ' ' A' ' 98' ' ' ALA . 35.9 t-80 -67.9 -44.36 77.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.138 . . . . 0.0 109.563 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . 0.523 ' O ' ' CB ' ' A' ' 141' ' ' LYS . . . -61.85 -53.05 61.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.49 ' CG ' ' HA ' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -68.72 -27.33 65.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.287 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.553 ' CB ' ' O ' ' A' ' 135' ' ' LEU . . . -60.56 -49.83 75.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . 0.573 ' CE2' ' HA ' ' A' ' 93' ' ' PRO . 6.3 m-85 -88.37 -42.78 11.97 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.118 . . . . 0.0 110.976 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.523 ' CB ' ' O ' ' A' ' 137' ' ' ALA . 11.4 ttpt -55.66 -47.95 75.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -82.42 103.44 11.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.423 ' O ' ' N ' ' A' ' 145' ' ' GLY . . . 102.76 128.23 6.32 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.462 1.101 . . . . 0.0 110.992 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 2.9 mp 69.92 -65.44 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 0.789 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 143' ' ' GLY . . . 56.55 -153.56 18.93 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.493 1.12 . . . . 0.0 111.003 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -114.41 108.84 2.07 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 5.9 m 62.23 158.6 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 0.759 . . . . 0.0 109.972 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -67.51 126.08 28.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.609 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -170.31 111.23 0.41 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.565 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 17.5 p80 -119.99 134.63 55.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.608 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 57.52 163.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.622 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 67.03 162.35 0.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.606 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.596 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 127.94 11.12 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.527 1.804 . . . . 0.0 111.012 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -172.46 -62.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.34 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 152.61 51.74 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 78.7 p -76.67 -37.06 56.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 0.781 . . . . 0.0 110.006 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 ptp 37.59 41.47 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.53 179.55 7.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 67.55 -175.74 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.371 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.436 ' O ' ' CB ' ' A' ' 5' ' ' THR . 5.4 pt-20 -178.74 -164.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.574 ' O ' ' CG ' ' A' ' 6' ' ' GLU . 4.1 m 77.88 29.28 0.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.428 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.574 ' CG ' ' O ' ' A' ' 5' ' ' THR . 0.0 OUTLIER 88.89 -20.96 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 110.314 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.449 ' O ' ' N ' ' A' ' 10' ' ' ILE . 25.2 m-85 -67.74 -54.69 17.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.0 p-10 -47.81 -32.03 5.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.273 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.513 ' CG ' ' CE2' ' A' ' 13' ' ' PHE . 9.2 ttm180 -75.71 -34.21 60.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 110.29 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 7' ' ' PHE . 52.2 mt -57.55 -48.29 83.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.9 mt -55.21 -41.54 72.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.345 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.457 ' O ' ' CG ' ' A' ' 15' ' ' GLN . 0.1 OUTLIER -57.99 -50.61 72.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.513 ' CE2' ' CG ' ' A' ' 9' ' ' ARG . 12.5 m-85 -63.94 -37.94 89.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -53.0 -53.0 56.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.457 ' CG ' ' O ' ' A' ' 12' ' ' LEU . 1.1 pt20 -62.38 -28.13 69.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 110.29 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.501 ' O ' ' CB ' ' A' ' 20' ' ' ALA . 70.6 mt -71.37 -49.47 47.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.57 1.169 . . . . 0.0 109.272 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.5 ttp180 -60.92 -34.04 74.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.343 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -69.04 -54.44 15.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.289 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 23' ' ' THR . 0.1 OUTLIER -69.23 -29.65 67.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 16' ' ' ILE . . . -73.63 -45.81 50.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.585 ' HG3' ' CZ2' ' A' ' 37' ' ' TRP . 16.3 tt0 -66.64 -44.7 81.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.476 ' OD1' ' O ' ' A' ' 19' ' ' ASP . 0.2 OUTLIER -67.83 -36.72 80.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.493 ' CB ' ' O ' ' A' ' 19' ' ' ASP . 1.4 m -60.84 -24.7 66.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.393 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.414 ' CD1' ' HZ3' ' A' ' 37' ' ' TRP . 6.8 t80 -51.37 -60.3 3.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.19 -26.97 68.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.1 -26.24 60.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.992 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -169.38 85.29 0.62 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 -11.23 21.31 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.521 1.801 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.509 ' O ' ' CG2' ' A' ' 70' ' ' ILE . 11.5 mt -88.87 -22.06 23.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -64.75 99.53 0.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.271 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.07 -27.41 64.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -64.56 -52.16 59.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.573 1.17 . . . . 0.0 109.259 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -65.3 -40.2 93.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.478 ' CD2' ' O ' ' A' ' 63' ' ' LYS . 0.3 OUTLIER -59.4 -52.48 65.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.468 ' CG2' ' HG2' ' A' ' 76' ' ' GLU . 82.0 m -59.62 -37.88 79.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.396 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.34 -32.32 69.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 110.33 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.672 ' CZ2' ' NZ ' ' A' ' 63' ' ' LYS . 12.3 t90 -65.91 -27.48 68.23 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.452 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -84.68 -54.12 3.02 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.509 1.131 . . . . 0.0 111.034 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -40.46 -44.66 3.2 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.474 ' CG1' ' N ' ' A' ' 41' ' ' LEU . 0.6 OUTLIER -67.4 -47.89 79.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 0.777 . . . . 0.0 109.264 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.474 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 14.1 mt -48.32 -43.82 33.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.437 HD22 ' CB ' ' A' ' 60' ' ' ALA . 15.9 mt -65.44 -36.74 84.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.355 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.47 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 19.4 mm-40 -65.11 -59.23 4.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 75.7 mt -61.97 -25.63 67.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 109.311 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.47 -36.89 74.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.008 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.467 ' HG2' ' N ' ' A' ' 47' ' ' PHE . 3.0 pt20 -66.46 -34.34 77.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 110.263 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.578 ' CZ ' ' CE1' ' A' ' 48' ' ' HIS . 0.0 OUTLIER -80.48 -36.32 33.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 111.082 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.578 ' CE1' ' CZ ' ' A' ' 47' ' ' PHE . 1.0 OUTLIER -78.81 135.95 37.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.584 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 46.0 m -41.0 148.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.001 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.474 ' CD1' HD21 ' A' ' 91' ' ' LEU . 1.0 OUTLIER -48.99 -43.96 15.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.304 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.439 ' N ' HG22 ' A' ' 50' ' ' ILE . 10.9 t -46.65 -56.42 6.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.993 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.69 -36.39 62.74 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -49.1 -54.46 16.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.4 mtpt -51.73 -53.01 44.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -55.14 -46.11 75.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.286 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 93.3 mtp -62.02 -32.33 72.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 111.006 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.469 ' CD1' HD11 ' A' ' 91' ' ' LEU . 34.9 mt -72.76 -52.28 23.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -45.75 -51.1 13.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.248 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.451 ' HG2' ' N ' ' A' ' 60' ' ' ALA . 3.1 pt-20 -66.44 -37.58 85.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 110.296 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.451 ' N ' ' HG2' ' A' ' 59' ' ' GLU . . . -59.39 -28.32 66.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.516 ' CD1' ' HB2' ' A' ' 84' ' ' ALA . 0.7 OUTLIER -69.89 -44.91 78.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.449 ' OG1' ' O ' ' A' ' 59' ' ' GLU . 27.9 p -60.74 -32.48 71.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.394 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.672 ' NZ ' ' CZ2' ' A' ' 37' ' ' TRP . 10.4 mmtp -60.79 -52.61 64.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.508 ' CZ ' ' HB3' ' A' ' 80' ' ' CYS . 9.6 m-85 -62.5 -36.4 82.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 110.977 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -48.64 -55.12 12.15 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.486 1.116 . . . . 0.0 110.318 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.449 ' HB3' ' CD1' ' A' ' 34' ' ' LEU . 23.8 tp10 -66.53 -43.3 85.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 0.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -54.31 -45.42 72.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.12 . . . . 0.0 109.326 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.479 HD12 ' CD1' ' A' ' 81' ' ' ILE . 6.9 mt -64.45 -28.36 69.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.9 -31.41 68.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.509 ' CG2' ' O ' ' A' ' 29' ' ' LEU . 4.6 mt -78.75 -42.7 25.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -143.94 110.05 5.13 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -18.06 19.18 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.5 1.79 . . . . 0.0 111.04 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.18 2.59 34.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -69.62 79.54 0.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.27 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.87 -32.53 32.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.498 ' HG3' ' CE3' ' A' ' 79' ' ' TRP . 17.9 tt0 -66.5 -51.73 53.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.315 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.411 ' CB ' ' HG ' ' A' ' 68' ' ' LEU . . . -52.59 -32.84 43.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.411 ' CG1' ' HB2' ' A' ' 111' ' ' GLN . 16.9 t -74.69 -53.55 16.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.092 . . . . 0.0 109.257 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.513 ' CZ3' ' SG ' ' A' ' 80' ' ' CYS . 0.4 OUTLIER -57.86 -46.32 84.99 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.513 ' SG ' ' CZ3' ' A' ' 79' ' ' TRP . 0.5 OUTLIER -50.41 -55.27 16.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 108.287 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.479 ' CD1' HD12 ' A' ' 68' ' ' LEU . 72.5 mt -52.04 -41.13 31.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.48 ' CA ' ' HB2' ' A' ' 105' ' ' ALA . . . -68.75 -44.65 69.07 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.451 1.094 . . . . 0.0 110.97 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -63.66 -32.0 73.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 0.739 . . . . 0.0 109.263 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.516 ' HB2' ' CD1' ' A' ' 61' ' ' ILE . . . -67.97 -55.16 13.72 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.602 ' CD1' ' ND2' ' A' ' 101' ' ' ASN . 10.8 m-85 -59.29 -48.57 81.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.994 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 96.1 m -54.69 -47.09 74.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 110.432 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.2 t -67.01 -50.98 60.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.996 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -54.09 -34.69 60.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.485 ' HB2' ' CA ' ' A' ' 98' ' ' ALA . . . -58.96 -48.91 79.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.406 ' O ' ' OH ' ' A' ' 140' ' ' TYR . 38.6 m-85 -57.89 -23.19 52.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 111.03 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.489 ' O ' ' HD3' ' A' ' 93' ' ' PRO . 5.3 mt -94.63 -3.02 50.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.249 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.42 ' N ' ' OH ' ' A' ' 140' ' ' TYR . 1.5 m -98.5 105.89 32.74 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 110.441 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.553 ' HA ' ' CE2' ' A' ' 140' ' ' TYR . 18.3 Cg_endo -74.96 -13.44 21.5 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.492 1.785 . . . . 0.0 111.011 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.631 ' O ' ' CB ' ' A' ' 95' ' ' GLU . 0.1 OUTLIER -58.69 -49.65 76.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.1 . . . . 0.0 109.267 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.631 ' CB ' ' O ' ' A' ' 94' ' ' ASP . 2.0 mm-40 97.42 -55.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.299 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.37 -38.92 78.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.413 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -75.86 -35.18 59.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.336 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.568 ' HB2' ' CD2' ' A' ' 136' ' ' HIS . . . -69.94 -52.53 23.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.54 -49.88 73.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.508 ' CD2' ' C ' ' A' ' 100' ' ' HIS . 0.3 OUTLIER -56.13 -44.11 78.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.594 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . 0.602 ' ND2' ' CD1' ' A' ' 85' ' ' TYR . 2.9 m120 -66.54 -47.81 71.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.143 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.485 ' CE2' ' HB2' ' A' ' 136' ' ' HIS . 2.0 m-85 -51.08 -45.52 61.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -73.6 -20.18 60.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.411 ' O ' ' CG ' ' A' ' 107' ' ' GLN . 0.1 OUTLIER -76.03 -46.05 31.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.48 ' HB2' ' CA ' ' A' ' 82' ' ' GLY . . . -61.54 -24.57 66.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.54 ' HA ' ' CD2' ' A' ' 109' ' ' PHE . 2.6 m -63.63 -55.07 26.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.406 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.416 ' HG3' ' N ' ' A' ' 108' ' ' PHE . 1.7 pt20 -54.97 -23.92 21.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 110.311 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.418 ' CZ ' HG23 ' A' ' 81' ' ' ILE . 15.0 m-85 -82.93 -44.02 15.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 110.989 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.54 ' CD2' ' HA ' ' A' ' 106' ' ' THR . 19.1 m-30 -54.5 -32.72 58.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 111.062 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.87 -30.4 70.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.297 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.411 ' HB2' ' CG1' ' A' ' 78' ' ' VAL . 39.5 mt-30 -81.22 -41.16 22.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.098 . . . . 0.0 110.315 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.5 ' O ' ' CD2' ' A' ' 122' ' ' TYR . . . -61.66 -52.8 62.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.252 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.477 ' O ' ' N ' ' A' ' 117' ' ' PRO . 4.1 m -63.64 -35.48 72.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.42 -45.92 9.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -75.1 -44.17 48.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.342 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -139.2 83.51 17.71 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.477 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.4 Cg_endo -74.94 -9.25 20.77 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.513 1.796 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -96.73 -11.87 24.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -68.36 116.29 8.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.44 ' O ' HD11 ' A' ' 123' ' ' LEU . 2.0 t -52.81 -39.8 62.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.414 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -58.44 -45.57 88.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.54 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.5 ' CD2' ' O ' ' A' ' 112' ' ' ALA . 12.0 m-30 -77.52 -24.09 50.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 111.014 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.527 ' C ' ' CD2' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -77.43 -50.41 12.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 109.268 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.496 ' N ' ' CD1' ' A' ' 123' ' ' LEU . 0.1 OUTLIER -59.32 -43.78 92.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.54 -42.29 87.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.969 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.452 ' O ' ' OG1' ' A' ' 129' ' ' THR . 13.6 tp -72.9 -56.36 5.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -55.23 -29.53 58.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 110.272 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' MET . . . . . 0.402 ' N ' ' O ' ' A' ' 124' ' ' LYS . 8.8 mmm -59.16 -31.81 69.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.452 ' OG1' ' O ' ' A' ' 126' ' ' LEU . 28.0 p -62.99 -28.53 70.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.342 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 129' ' ' THR . . . -39.62 -43.24 1.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.266 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.41 ' O ' ' CB ' ' A' ' 135' ' ' LEU . 0.7 OUTLIER -122.03 48.14 1.77 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 109.336 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . 0.557 ' N ' ' CD ' ' A' ' 133' ' ' PRO . . . -65.1 -49.58 65.84 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . 0.557 ' CD ' ' N ' ' A' ' 132' ' ' ALA . 18.3 Cg_endo -74.97 -26.67 10.76 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.5 1.789 . . . . 0.0 110.964 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . 0.458 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 64.6 mm-40 -80.47 -48.32 12.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.302 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.545 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 35.5 mt -51.63 -41.07 61.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . 0.568 ' CD2' ' HB2' ' A' ' 98' ' ' ALA . 60.0 t-80 -66.85 -44.91 79.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.088 . . . . 0.0 109.56 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . 0.528 ' O ' ' CB ' ' A' ' 141' ' ' LYS . . . -61.88 -53.0 61.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.138 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.495 ' CG ' ' HA ' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -68.96 -26.97 65.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.264 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.545 ' CB ' ' O ' ' A' ' 135' ' ' LEU . . . -58.95 -51.33 70.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . 0.553 ' CE2' ' HA ' ' A' ' 93' ' ' PRO . 7.5 m-85 -88.3 -41.98 12.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 111.044 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.528 ' CB ' ' O ' ' A' ' 137' ' ' ALA . 8.3 ttpp -55.4 -47.23 76.21 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.459 1.1 . . . . 0.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.06 121.24 27.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 110.288 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 159.18 62.55 0.01 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.487 1.117 . . . . 0.0 111.035 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -153.71 97.55 2.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 0.747 . . . . 0.0 109.25 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 77.7 154.66 6.86 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.534 1.146 . . . . 0.0 110.985 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -74.94 73.27 1.5 Allowed Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.0 121.2 41.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 0.762 . . . . 0.0 109.996 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -47.5 135.82 10.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.609 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 16.4 t60 -52.72 171.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.585 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 -119.83 127.19 52.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.605 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -157.1 145.1 19.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.605 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -155.95 101.95 2.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.637 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 6.4 m80 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.583 -179.99 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 149.68 37.24 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.478 1.778 . . . . 0.0 111.01 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 3.9 mp 65.39 79.06 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -68.33 -145.32 0.13 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.52 1.137 . . . . 0.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 46.1 t -78.86 -34.63 44.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 0.746 . . . . 0.0 110.009 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.5 ttp -173.15 139.89 0.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 111.019 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 26.3 t0 178.86 92.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.243 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 63.2 p -135.39 156.37 49.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.394 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.407 ' C ' ' CG2' ' A' ' 5' ' ' THR . 0.4 OUTLIER -179.44 173.79 1.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.314 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.407 ' CG2' ' C ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER 37.63 79.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.394 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -49.29 -21.56 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 0.0 110.247 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -63.49 -55.24 25.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -49.46 -39.16 32.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.373 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.3 ttm180 -73.82 -35.77 64.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.328 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.457 HG22 ' CD2' ' A' ' 44' ' ' LEU . 30.3 mt -61.81 -38.46 80.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.6 mt -57.95 -41.69 83.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.336 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.491 ' CD1' ' CD1' ' A' ' 16' ' ' ILE . 0.2 OUTLIER -59.53 -50.54 73.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.347 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.432 ' N ' ' HG ' ' A' ' 12' ' ' LEU . 15.3 m-85 -63.73 -35.58 81.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.127 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -61.18 -57.69 11.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.163 . . . . 0.0 110.273 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.444 ' CG ' ' O ' ' A' ' 12' ' ' LEU . 7.2 pt20 -52.68 -31.63 38.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.327 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.491 ' CD1' ' CD1' ' A' ' 12' ' ' LEU . 5.2 mt -71.26 -50.59 40.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -52.45 -56.29 16.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 110.279 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.431 ' HG3' ' N ' ' A' ' 19' ' ' ASP . 5.4 pt20 -53.81 -45.11 70.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.287 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.431 ' N ' ' HG3' ' A' ' 18' ' ' GLN . 0.3 OUTLIER -62.34 -38.52 89.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.579 ' CB ' ' CG ' ' A' ' 37' ' ' TRP . . . -56.99 -45.78 82.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.651 ' HG2' ' CZ2' ' A' ' 37' ' ' TRP . 3.2 mt-10 -62.0 -41.86 98.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.12 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.455 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 1.1 m120 -69.29 -47.85 63.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.519 ' CG2' ' CG ' ' A' ' 33' ' ' ASN . 4.3 m -60.56 -21.41 62.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.441 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.411 ' CD1' ' HZ3' ' A' ' 37' ' ' TRP . 5.5 t80 -65.46 -62.3 1.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.955 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 22' ' ' ASN . 0.4 OUTLIER -64.14 -24.34 67.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.08 -25.38 29.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.017 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' A' ' 23' ' ' THR . 14.8 m120 -169.61 82.55 0.63 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.402 ' N ' ' O ' ' A' ' 24' ' ' TYR . 18.4 Cg_endo -74.98 -13.03 21.57 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.464 1.77 . . . . 0.0 111.033 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.452 ' O ' ' CG2' ' A' ' 70' ' ' ILE . 11.3 mt -82.47 -18.32 42.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.24 99.48 0.39 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.41 ' O ' ' CB ' ' A' ' 35' ' ' THR . . . -74.03 -22.26 59.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.102 . . . . 0.0 109.282 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -69.23 -55.01 11.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.16 . . . . 0.0 109.319 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.519 ' CG ' ' CG2' ' A' ' 23' ' ' THR . 1.7 t30 -69.62 -34.96 74.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.474 ' CD1' ' HG3' ' A' ' 63' ' ' LYS . 1.3 tp -66.89 -41.14 87.7 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.41 ' CB ' ' O ' ' A' ' 31' ' ' ALA . 4.7 m -69.0 -53.58 19.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.377 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.468 ' CD ' HG21 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -57.87 -19.11 26.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 110.274 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.651 ' CZ2' ' HG2' ' A' ' 21' ' ' GLU . 6.9 t90 -67.48 -27.53 67.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 107.995 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.599 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -82.57 -56.53 2.78 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.485 1.116 . . . . 0.0 110.964 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -42.44 -45.71 5.45 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.43 HG23 ' CD1' ' A' ' 13' ' ' PHE . 5.5 p -67.36 -37.61 79.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.492 0.76 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 38' ' ' GLY . 10.1 mt -60.94 -41.49 96.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.309 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.1 mt -65.51 -35.94 82.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -65.19 -58.14 6.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.271 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.457 ' CD2' HG22 ' A' ' 10' ' ' ILE . 88.0 mt -61.84 -25.11 67.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.45 -36.45 71.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.997 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.444 ' HG2' ' N ' ' A' ' 47' ' ' PHE . 4.4 pt20 -66.66 -35.06 79.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.133 . . . . 0.0 110.347 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.685 ' CE2' ' CD2' ' A' ' 48' ' ' HIS . 0.0 OUTLIER -80.46 -35.05 35.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 111.035 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.685 ' CD2' ' CE2' ' A' ' 47' ' ' PHE . 2.6 m-70 -80.37 141.52 35.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.594 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 59.6 m -48.62 160.58 0.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.97 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.503 ' CG1' HD22 ' A' ' 91' ' ' LEU . 0.2 OUTLIER -57.54 -48.62 82.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.408 ' N ' HG21 ' A' ' 50' ' ' ILE . 56.0 p -44.36 -52.35 7.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 110.021 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -75.85 -38.33 58.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -47.2 -54.57 10.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.461 ' CD ' HG22 ' A' ' 50' ' ' ILE . 0.4 OUTLIER -52.6 -58.28 7.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.32 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 58.7 mm-40 -52.78 -41.97 64.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.291 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 87.7 mtp -66.82 -34.33 77.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 111.008 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.459 ' CG2' ' HB2' ' A' ' 88' ' ' PHE . 32.4 mt -72.48 -45.73 58.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -49.32 -54.37 17.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.347 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.422 ' HG2' ' N ' ' A' ' 60' ' ' ALA . 4.7 pt-20 -65.07 -34.19 77.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.336 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.422 ' N ' ' HG2' ' A' ' 59' ' ' GLU . . . -59.54 -31.55 69.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.509 HG12 ' CE1' ' A' ' 85' ' ' TYR . 0.5 OUTLIER -76.31 -58.01 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 58.8 p -50.06 -25.4 3.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.407 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.474 ' HG3' ' CD1' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -71.34 -50.87 27.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.326 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.602 ' CZ ' ' SG ' ' A' ' 80' ' ' CYS . 23.5 m-85 -57.89 -43.31 85.99 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.58 -56.42 8.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 110.265 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.93 -38.03 81.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 110.308 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.473 ' CB ' ' HG ' ' A' ' 34' ' ' LEU . . . -65.85 -39.39 90.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.469 HD13 ' CD1' ' A' ' 81' ' ' ILE . 7.3 mt -63.81 -28.69 70.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.06 -33.57 74.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.452 ' CG2' ' O ' ' A' ' 29' ' ' LEU . 5.0 mt -73.35 -43.49 56.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -146.79 105.88 3.96 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.339 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -13.01 21.66 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.468 1.773 . . . . 0.0 111.017 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.0 ptmt -84.09 0.61 47.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.39 80.21 1.89 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.423 ' N ' ' OD1' ' A' ' 75' ' ' ASP . 0.3 OUTLIER -54.29 -23.62 15.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.324 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 52.3 tt0 -69.47 -52.75 23.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.09 . . . . 0.0 110.269 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.34 -31.86 35.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 24.4 t -74.65 -52.92 18.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.26 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.524 ' CZ2' ' ND2' ' A' ' 83' ' ' ASN . 0.4 OUTLIER -59.08 -46.54 88.03 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.602 ' SG ' ' CZ ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -50.54 -52.88 34.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 108.362 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.617 ' CG2' ' CE2' ' A' ' 85' ' ' TYR . 58.9 mt -51.99 -41.76 32.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.468 ' CA ' ' HB1' ' A' ' 105' ' ' ALA . . . -67.51 -41.41 90.34 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.502 1.126 . . . . 0.0 110.984 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.524 ' ND2' ' CZ2' ' A' ' 79' ' ' TRP . 7.4 m-20 -64.5 -35.76 81.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 0.759 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.449 ' HB2' ' CD1' ' A' ' 61' ' ' ILE . . . -65.43 -55.62 16.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.617 ' CE2' ' CG2' ' A' ' 81' ' ' ILE . 16.0 m-85 -58.14 -43.41 87.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 111.006 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 73.8 m -55.4 -47.62 75.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.417 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.407 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 36.5 m -66.95 -52.49 42.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 110.011 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.459 ' HB2' ' CG2' ' A' ' 57' ' ' ILE . 37.5 t80 -52.28 -32.32 36.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 111.032 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.453 ' HB2' ' CE2' ' A' ' 102' ' ' PHE . . . -64.07 -48.59 75.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.244 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -57.69 -17.23 13.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.503 HD22 ' CG1' ' A' ' 50' ' ' ILE . 7.0 mt -95.9 -21.22 18.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -96.89 117.58 65.73 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.358 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -27.04 10.33 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.473 1.775 . . . . 0.0 110.963 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -58.93 93.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -46.02 -45.93 16.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 110.332 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -51.55 -51.41 55.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.547 1.154 . . . . 0.0 110.4 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -73.87 -49.88 22.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.323 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -52.34 -53.83 39.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.339 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -51.15 70.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.559 ' CD2' ' C ' ' A' ' 100' ' ' HIS . 0.1 OUTLIER -49.3 -39.85 32.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.616 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -69.96 -54.32 13.83 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.469 ' CD1' ' HB3' ' A' ' 132' ' ' ALA . 6.1 m-85 -51.82 -39.74 59.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.7 -19.72 60.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.64 -48.58 21.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.555 ' HB3' ' CE2' ' A' ' 109' ' ' PHE . . . -56.35 -28.03 57.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 16.0 m -60.44 -56.57 19.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 110.396 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.41 ' HG3' ' N ' ' A' ' 108' ' ' PHE . 0.3 OUTLIER -57.26 -22.81 44.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.575 ' CZ ' HG21 ' A' ' 81' ' ' ILE . 7.0 m-85 -83.23 -48.95 9.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 110.999 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.555 ' CE2' ' HB3' ' A' ' 105' ' ' ALA . 20.6 m-85 -53.84 -32.38 52.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.969 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.1 -28.0 68.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -81.44 -43.06 19.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.589 1.18 . . . . 0.0 110.333 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -54.55 -55.37 29.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.294 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.475 ' O ' ' N ' ' A' ' 117' ' ' PRO . 16.7 m -63.27 -34.37 66.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -45.65 -52.05 11.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -63.36 -42.37 98.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 110.26 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.439 ' O ' ' CG ' ' A' ' 116' ' ' GLN . 3.1 tt0 -157.8 91.55 2.25 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.147 . . . . 0.0 110.351 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.475 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.3 Cg_endo -74.97 -3.86 14.55 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.505 1.792 . . . . 0.0 111.034 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -89.36 8.05 32.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -86.7 121.57 29.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 61.5 p -57.94 -50.98 71.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.117 . . . . 0.0 110.398 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.433 ' CD2' ' H ' ' A' ' 121' ' ' HIS . 12.5 m-70 -49.85 -52.6 31.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.639 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 10.2 m-30 -60.64 -34.88 74.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.516 ' C ' ' CD2' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -60.41 -53.74 54.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.358 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.445 ' N ' ' CD1' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -55.02 -42.53 72.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.33 -37.21 72.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.03 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.1 tp -73.35 -41.97 62.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.27 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.06 -32.74 73.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.263 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.87 -28.54 64.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.472 ' HA ' ' CB ' ' A' ' 132' ' ' ALA . 18.0 p -68.54 -38.18 80.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.415 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 129' ' ' THR . . . -39.4 -39.91 0.74 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.402 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 16.3 mttt -131.15 38.24 3.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . 0.507 ' N ' ' CD ' ' A' ' 133' ' ' PRO . . . -60.84 -52.35 73.02 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 132' ' ' ALA . 18.3 Cg_endo -74.97 -21.55 15.8 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.465 1.771 . . . . 0.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . 0.435 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 49.8 mm-40 -80.27 -47.24 14.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.282 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.584 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 8.0 mt -48.27 -42.62 31.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . 0.549 ' NE2' ' CZ ' ' A' ' 140' ' ' TYR . 6.7 t-80 -67.35 -44.62 78.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.169 . . . . 0.0 109.576 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . 0.423 ' O ' ' HB3' ' A' ' 141' ' ' LYS . . . -61.86 -52.74 62.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.508 ' O ' ' CB ' ' A' ' 142' ' ' GLN . 0.0 OUTLIER -68.12 -26.65 65.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.287 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.584 ' CB ' ' O ' ' A' ' 135' ' ' LEU . . . -72.13 -35.58 69.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . 0.549 ' CZ ' ' NE2' ' A' ' 136' ' ' HIS . 3.7 m-85 -88.29 -43.82 11.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 111.016 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.439 ' HG2' ' N ' ' A' ' 142' ' ' GLN . 0.0 OUTLIER -66.29 -43.73 85.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . 0.508 ' CB ' ' O ' ' A' ' 138' ' ' GLU . 8.4 tm0? -85.44 104.69 15.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.355 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -153.56 101.73 0.21 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.442 1.089 . . . . 0.0 111.001 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 7.4 tp -156.76 103.0 2.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 0.778 . . . . 0.0 109.32 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 109.96 -60.21 0.33 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 101.53 163.43 27.22 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 25.8 t 63.52 83.23 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 0.76 . . . . 0.0 110.016 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -152.15 71.47 0.96 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.563 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 44.4 m170 -80.47 158.3 25.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 109.618 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -58.53 174.85 0.28 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.616 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -72.59 102.92 3.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 0.0 109.581 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -47.21 149.22 1.03 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.587 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.598 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 156.13 43.24 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.459 1.768 . . . . 0.0 111.009 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 2.7 tt -171.56 -60.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.32 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 135.61 94.45 0.44 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 2' ' ' ASP . 0.5 OUTLIER -71.64 -36.64 70.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 0.743 . . . . 0.0 109.957 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 67.5 -63.95 0.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.088 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' A' ' 0' ' ' SER . 4.1 m-20 60.93 155.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.475 ' HG1' ' N ' ' A' ' 9' ' ' ARG . 13.7 t -70.82 -173.06 0.73 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 110.398 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.515 ' O ' ' CB ' ' A' ' 5' ' ' THR . 2.2 pt-20 -158.53 117.09 3.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 110.312 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.533 ' O ' ' CB ' ' A' ' 6' ' ' GLU . 2.1 m 83.74 -11.82 0.86 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.115 . . . . 0.0 110.387 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.533 ' CB ' ' O ' ' A' ' 5' ' ' THR . 0.5 OUTLIER 89.3 -27.6 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.267 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.488 ' CE2' HG21 ' A' ' 5' ' ' THR . 21.0 m-85 -60.92 -54.83 40.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 111.024 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -47.65 -38.25 14.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.342 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.499 ' CG ' ' CE2' ' A' ' 13' ' ' PHE . 10.6 ttm180 -71.73 -32.68 68.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.377 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.426 ' N ' ' O ' ' A' ' 7' ' ' PHE . 68.3 mt -66.89 -44.58 88.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.7 mt -56.61 -40.37 75.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.431 1.082 . . . . 0.0 109.268 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.468 ' CD1' HD11 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -61.42 -49.16 77.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.337 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.551 ' CE2' ' HB3' ' A' ' 43' ' ' GLU . 12.2 m-85 -64.01 -36.68 84.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.943 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -56.48 -52.22 65.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 110.311 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.446 ' HG3' ' N ' ' A' ' 16' ' ' ILE . 3.6 pt20 -62.0 -27.57 68.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.468 HD11 ' CD1' ' A' ' 12' ' ' LEU . 69.6 mt -71.19 -53.31 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.259 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.484 ' O ' ' CB ' ' A' ' 21' ' ' GLU . 4.6 ttt180 -53.71 -39.69 65.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.292 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -66.41 -48.27 70.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.305 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.501 ' O ' ' CB ' ' A' ' 23' ' ' THR . 0.4 OUTLIER -66.57 -44.8 81.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.99 -55.57 16.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.574 ' HG3' ' CZ2' ' A' ' 37' ' ' TRP . 30.2 tt0 -54.18 -46.51 72.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.321 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 23.2 t30 -68.61 -45.56 71.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.501 ' CB ' ' O ' ' A' ' 19' ' ' ASP . 2.8 m -54.09 -27.42 32.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.402 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.4 ' CD1' ' HZ3' ' A' ' 37' ' ' TRP . 7.3 t80 -48.97 -59.79 3.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.7 -25.85 68.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.37 -42.35 68.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.968 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -159.03 91.13 1.98 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 0.85 8.43 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.509 1.794 . . . . 0.0 110.996 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.416 ' O ' ' CG2' ' A' ' 70' ' ' ILE . 10.2 mt -94.7 -21.04 19.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.48 ' O ' ' CB ' ' A' ' 34' ' ' LEU . 0.9 OUTLIER -64.64 99.33 0.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 109.302 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.423 ' HB2' ' CE ' ' A' ' 74' ' ' LYS . . . -70.31 -33.93 72.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -63.78 -55.52 22.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.298 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.413 ' CB ' HG23 ' A' ' 23' ' ' THR . 0.2 OUTLIER -67.96 -36.06 79.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.513 ' CD1' ' HG3' ' A' ' 63' ' ' LYS . 1.1 tp -64.22 -46.24 84.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.2 m -67.32 -43.62 81.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.38 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -59.92 -31.35 69.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.314 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.596 ' CZ2' ' HE2' ' A' ' 63' ' ' LYS . 14.7 t90 -63.22 -26.73 68.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 107.996 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.578 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -86.44 -55.24 2.5 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.48 1.112 . . . . 0.0 110.976 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -43.72 -41.6 5.75 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.467 ' CG1' ' N ' ' A' ' 41' ' ' LEU . 1.8 p -67.36 -48.22 78.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 0.765 . . . . 0.0 109.345 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.559 ' CD1' ' NZ ' ' A' ' 63' ' ' LYS . 25.3 mt -48.29 -43.51 32.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 17.6 mt -65.58 -39.39 91.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.364 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.551 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 12.1 mm-40 -60.6 -58.17 9.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.3 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 30.2 mt -61.53 -24.12 66.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 109.266 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.416 ' HA ' ' SD ' ' A' ' 56' ' ' MET . 2.7 t -53.29 -28.05 26.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.018 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -67.9 -40.16 83.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.329 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.606 ' CZ ' ' CE1' ' A' ' 48' ' ' HIS . 0.0 OUTLIER -80.69 -31.82 36.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 111.003 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.606 ' CE1' ' CZ ' ' A' ' 47' ' ' PHE . 5.1 m-70 -78.75 145.22 34.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.595 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 36.6 m -54.79 161.77 1.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.956 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.507 HG21 ' N ' ' A' ' 51' ' ' SER . 0.8 OUTLIER -61.71 -46.92 95.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.507 ' N ' HG21 ' A' ' 50' ' ' ILE . 16.7 p -47.68 -56.46 7.23 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.475 1.11 . . . . 0.0 109.973 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.43 -40.01 77.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.507 ' O ' ' CG1' ' A' ' 57' ' ' ILE . . . -46.37 -53.72 10.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.596 ' HB3' ' CE2' ' A' ' 88' ' ' PHE . 5.5 mtpt -59.51 -36.51 76.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -67.27 -56.36 10.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.29 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.453 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 24.3 ptm -64.43 -28.01 69.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.507 ' CG1' ' O ' ' A' ' 53' ' ' ALA . 27.2 mt -68.36 -40.57 82.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.422 ' CG ' ' O ' ' A' ' 54' ' ' LYS . 2.0 mt-30 -55.38 -55.14 35.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.291 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.568 ' HG2' ' N ' ' A' ' 60' ' ' ALA . 2.3 pt-20 -59.59 -33.93 72.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 110.315 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.568 ' N ' ' HG2' ' A' ' 59' ' ' GLU . . . -61.53 -30.86 70.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.43 ' CD1' ' HB3' ' A' ' 84' ' ' ALA . 0.5 OUTLIER -70.74 -62.25 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.468 HG22 ' O ' ' A' ' 59' ' ' GLU . 1.2 t -48.29 -35.43 12.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 110.462 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.596 ' HE2' ' CZ2' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -57.24 -47.6 80.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.578 ' CE1' ' HA3' ' A' ' 38' ' ' GLY . 18.9 m-85 -65.82 -37.58 86.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -48.95 -55.81 10.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 110.316 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.87 -40.96 95.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.308 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.487 ' CB ' ' HG ' ' A' ' 34' ' ' LEU . . . -59.41 -34.22 72.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.2 mt -69.2 -31.7 70.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.45 -34.89 79.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.416 ' CG2' ' O ' ' A' ' 29' ' ' LEU . 4.0 mt -73.18 -38.57 55.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -148.89 108.05 3.47 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -17.56 19.54 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.537 1.809 . . . . 0.0 111.021 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.9 ptpt -83.26 1.69 39.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.423 ' CE ' ' HB2' ' A' ' 31' ' ' ALA . 4.1 tppt? -68.31 76.63 0.26 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -52.44 -36.2 54.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.271 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 54.5 tt0 -64.07 -50.05 69.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.112 . . . . 0.0 110.25 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.89 -34.02 62.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 22.4 t -74.56 -53.23 17.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.505 ' CZ3' ' SG ' ' A' ' 80' ' ' CYS . 0.9 OUTLIER -57.97 -46.25 85.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 108.041 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.505 ' SG ' ' CZ3' ' A' ' 79' ' ' TRP . 0.8 OUTLIER -50.08 -53.13 29.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 108.302 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.564 HG21 ' CZ ' ' A' ' 108' ' ' PHE . 60.0 mt -51.9 -37.61 21.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.465 ' CA ' ' HB2' ' A' ' 105' ' ' ALA . . . -70.04 -41.28 71.51 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.418 ' OD1' ' NE1' ' A' ' 79' ' ' TRP . 3.0 m120 -64.53 -39.49 93.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 0.798 . . . . 0.0 109.287 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.43 ' HB3' ' CD1' ' A' ' 61' ' ' ILE . . . -64.03 -52.79 57.8 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.493 1.121 . . . . 0.0 109.326 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.543 ' CE2' HG23 ' A' ' 81' ' ' ILE . 6.1 m-85 -60.18 -50.53 73.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 53.4 m -54.99 -46.55 75.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 110.442 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.2 m -67.08 -52.06 46.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.018 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.596 ' CE2' ' HB3' ' A' ' 54' ' ' LYS . 36.0 t80 -53.38 -31.37 44.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.15 . . . . 0.0 110.995 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.02 -52.15 60.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.29 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -53.87 -22.4 9.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.992 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.502 ' CD2' HG13 ' A' ' 50' ' ' ILE . 9.5 mt -89.58 -28.96 19.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.255 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.45 ' O ' ' NE2' ' A' ' 136' ' ' HIS . 0.9 OUTLIER -86.17 121.31 72.71 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.39 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.555 ' HA ' ' CE2' ' A' ' 140' ' ' TYR . 18.3 Cg_endo -75.0 -27.58 9.89 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.516 1.798 . . . . 0.0 110.962 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -59.95 99.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 -50.96 -47.5 61.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 110.26 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.9 t -52.43 -44.86 65.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 110.334 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -75.55 -51.29 13.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.321 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.545 ' HB1' ' CD2' ' A' ' 136' ' ' HIS . . . -53.37 -52.95 57.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.62 -53.57 56.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.471 ' CD2' ' C ' ' A' ' 100' ' ' HIS . 0.8 OUTLIER -50.58 -39.56 50.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.612 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -65.73 -56.14 13.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.456 ' HB3' ' CB ' ' A' ' 132' ' ' ALA . 9.8 m-85 -51.87 -38.9 57.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.128 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -74.55 -20.07 60.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -77.46 -52.03 9.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.465 ' HB2' ' CA ' ' A' ' 82' ' ' GLY . . . -55.99 -24.48 39.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -61.96 -54.51 40.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 110.44 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.413 ' HG3' ' N ' ' A' ' 108' ' ' PHE . 0.7 OUTLIER -58.87 -23.35 60.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.268 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.564 ' CZ ' HG21 ' A' ' 81' ' ' ILE . 10.6 m-85 -80.62 -47.03 14.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.958 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -53.88 -38.73 65.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.403 ' HA ' ' NE2' ' A' ' 110' ' ' GLN . 0.2 OUTLIER -53.03 -30.6 36.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.326 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -81.41 -42.81 19.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.513 ' O ' ' CD2' ' A' ' 122' ' ' TYR . . . -61.02 -50.92 71.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.466 ' O ' ' N ' ' A' ' 117' ' ' PRO . 13.9 m -65.05 -34.77 72.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.9 -42.95 8.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.362 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -75.22 -43.91 49.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 110.303 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 21.3 mm100 -144.16 83.49 10.11 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.27 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.466 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.3 Cg_endo -74.97 -3.44 13.93 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.484 1.781 . . . . 0.0 110.974 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -101.16 -11.76 19.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.276 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -69.85 118.05 12.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.455 ' O ' HD11 ' A' ' 123' ' ' LEU . 1.8 t -52.78 -40.07 62.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.394 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -58.5 -45.28 89.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.577 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.513 ' CD2' ' O ' ' A' ' 112' ' ' ALA . 10.2 m-30 -78.58 -24.47 45.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 111.018 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.529 ' C ' ' CD2' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -76.29 -50.98 12.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.511 ' N ' ' CD1' ' A' ' 123' ' ' LEU . 7.7 tptt -51.28 -45.46 62.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.11 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.93 -42.17 75.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 0.0 109.966 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.412 ' O ' ' OG1' ' A' ' 129' ' ' THR . 15.6 tp -68.15 -40.1 82.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -68.01 -34.35 76.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.259 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 3.4 mtp -56.48 -32.12 64.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 111.008 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.412 ' OG1' ' O ' ' A' ' 126' ' ' LEU . 17.0 p -67.73 -39.69 84.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.398 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -42.02 -29.15 0.21 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.127 . . . . 0.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.412 ' N ' ' C ' ' A' ' 129' ' ' THR . 8.8 mmtt -130.19 39.77 3.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.345 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . 0.525 ' N ' ' CD ' ' A' ' 133' ' ' PRO . . . -63.8 -51.46 64.77 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . 0.525 ' CD ' ' N ' ' A' ' 132' ' ' ALA . 18.4 Cg_endo -74.98 -25.41 11.93 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.528 1.804 . . . . 0.0 111.008 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . 0.465 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 27.7 tp60 -80.52 -51.02 9.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.264 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.557 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 54.0 mt -50.99 -41.93 59.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . 0.545 ' CD2' ' HB1' ' A' ' 98' ' ' ALA . 59.2 t-80 -67.29 -44.3 79.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.592 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . 0.516 ' O ' ' CB ' ' A' ' 141' ' ' LYS . . . -62.06 -52.42 63.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.48 ' CG ' ' HA ' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -69.2 -27.82 65.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 110.308 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.557 ' CB ' ' O ' ' A' ' 135' ' ' LEU . . . -61.42 -49.19 77.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . 0.555 ' CE2' ' HA ' ' A' ' 93' ' ' PRO . 6.2 m-85 -87.16 -41.81 13.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.974 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.516 ' CB ' ' O ' ' A' ' 137' ' ' ALA . 0.0 OUTLIER -55.4 -48.1 74.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -83.91 121.9 27.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 110.323 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.1 63.59 1.79 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -167.64 107.32 0.56 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 0.755 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -128.97 143.84 14.83 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 151.21 -90.54 0.13 Allowed Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 72.4 m -117.35 163.15 16.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 0.754 . . . . 0.0 109.987 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 11.0 t-160 72.18 108.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.602 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 4.1 p80 -166.63 61.16 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 109.584 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 2.5 m170 -113.93 145.76 41.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.623 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -103.37 151.48 22.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 109.582 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 72.3 -178.92 0.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.644 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 16.1 p-80 . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 109.636 -179.943 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 145.67 31.87 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.453 1.765 . . . . 0.0 110.977 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 1.7 mt -156.6 124.83 5.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.275 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 100.16 50.83 1.3 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.454 1.096 . . . . 0.0 110.988 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.52 -30.57 64.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 0.782 . . . . 0.0 109.944 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -153.72 179.19 9.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.95 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -66.61 179.63 1.01 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 109.275 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.408 HG23 ' NE ' ' A' ' 9' ' ' ARG . 17.3 p -89.1 -37.0 15.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.393 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.548 ' O ' ' CB ' ' A' ' 5' ' ' THR . 8.7 mm-40 61.48 130.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.287 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.567 HG23 ' CD2' ' A' ' 7' ' ' PHE . 0.5 OUTLIER 85.82 -38.75 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.365 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.515 ' CB ' ' O ' ' A' ' 5' ' ' THR . 1.0 OUTLIER 86.81 -43.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 110.263 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.567 ' CD2' HG23 ' A' ' 5' ' ' THR . 6.4 m-85 -47.56 -54.63 11.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -47.54 -37.48 12.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.432 ' CG ' ' CE2' ' A' ' 13' ' ' PHE . 12.7 ttm180 -77.7 -33.57 53.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 110.318 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.469 HG21 ' CD2' ' A' ' 44' ' ' LEU . 52.1 mt -62.6 -39.59 85.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.6 mt -63.4 -36.34 83.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.271 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.464 HD13 ' CD1' ' A' ' 16' ' ' ILE . 0.1 OUTLIER -60.85 -52.77 63.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.455 ' CE2' ' HB3' ' A' ' 43' ' ' GLU . 21.4 m-85 -63.94 -27.98 69.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 111.016 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.467 ' CG ' ' O ' ' A' ' 10' ' ' ILE . 2.0 mm-40 -63.63 -58.35 7.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.322 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.482 ' HG3' ' N ' ' A' ' 16' ' ' ILE . 0.8 OUTLIER -53.09 -31.5 42.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.278 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.482 ' N ' ' HG3' ' A' ' 15' ' ' GLN . 21.3 mt -71.39 -52.53 25.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -49.83 -48.46 50.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 110.263 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.433 ' HG3' ' N ' ' A' ' 19' ' ' ASP . 19.3 pt20 -64.81 -43.41 93.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.477 ' O ' ' CB ' ' A' ' 23' ' ' THR . 0.3 OUTLIER -65.48 -38.92 91.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 16' ' ' ILE . . . -73.44 -57.49 3.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.537 ' HG3' ' CZ2' ' A' ' 37' ' ' TRP . 3.2 tt0 -50.59 -49.51 56.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 31.6 t30 -64.49 -47.62 78.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.533 ' CG2' ' CG ' ' A' ' 33' ' ' ASN . 2.1 m -53.9 -23.85 14.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.138 . . . . 0.0 110.38 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.457 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 8.4 t80 -53.3 -60.17 3.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.985 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.9 -32.45 70.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.9 t -71.75 -31.87 67.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 110.021 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 23' ' ' THR . 5.6 t-20 -152.98 81.92 5.07 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 15.04 0.77 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.518 1.799 . . . . 0.0 110.995 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.485 ' O ' ' CG2' ' A' ' 70' ' ' ILE . 13.2 mt -131.66 15.68 4.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.334 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.509 ' O ' ' CB ' ' A' ' 34' ' ' LEU . 1.8 m-20 -90.54 99.28 12.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.03 -27.21 66.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.5 -53.77 12.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.533 ' CG ' ' CG2' ' A' ' 23' ' ' THR . 18.6 t-20 -71.29 -33.45 69.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.133 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.509 ' CB ' ' O ' ' A' ' 30' ' ' ASP . 4.0 tp -66.89 -40.52 87.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.8 m -71.03 -51.57 24.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.381 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.48 ' HG3' ' N ' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -58.27 -25.04 61.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.333 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.566 ' CH2' ' HE3' ' A' ' 63' ' ' LYS . 14.5 t90 -67.75 -26.93 66.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 107.963 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.583 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -85.1 -57.71 2.21 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.475 1.109 . . . . 0.0 110.983 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -40.26 -43.66 2.78 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.447 ' CG1' ' N ' ' A' ' 41' ' ' LEU . 2.8 p -67.36 -47.43 81.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.543 0.79 . . . . 0.0 109.291 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.475 HD12 ' CG ' ' A' ' 59' ' ' GLU . 14.0 mt -48.63 -45.24 38.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.356 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.4 mt -65.57 -41.51 92.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.566 ' O ' ' CE1' ' A' ' 47' ' ' PHE . 8.2 mm-40 -59.74 -57.34 13.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 110.333 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.483 ' HB3' ' CD2' ' A' ' 48' ' ' HIS . 6.8 mt -59.02 -37.3 76.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.4 m -54.21 -21.75 9.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.028 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.614 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -68.06 -7.25 27.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.306 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.614 ' CZ ' ' HB3' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -158.02 47.98 0.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 110.982 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.483 ' CD2' ' HB3' ' A' ' 44' ' ' LEU . 2.0 m-70 -132.14 8.2 4.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.601 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.476 ' CB ' ' O ' ' A' ' 48' ' ' HIS . 0.3 OUTLIER 83.91 144.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.028 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.473 HG13 ' CD2' ' A' ' 91' ' ' LEU . 0.1 OUTLIER -56.84 -51.6 65.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.549 ' HA ' ' CE ' ' A' ' 54' ' ' LYS . 46.0 t -45.17 -56.6 4.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.997 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.3 -44.38 68.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.444 ' HB3' ' HA ' ' A' ' 50' ' ' ILE . . . -45.15 -55.11 6.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.549 ' CE ' ' HA ' ' A' ' 51' ' ' SER . 4.3 mtmp? -53.75 -47.14 70.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -62.48 -45.29 93.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 110.284 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 8.4 mtp -65.59 -30.28 70.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 38.9 mt -72.53 -49.36 42.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -47.83 -54.27 12.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.329 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.475 ' CG ' HD12 ' A' ' 41' ' ' LEU . 3.9 pt-20 -65.47 -34.54 78.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.54 -33.42 71.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.562 HD11 ' CD1' ' A' ' 85' ' ' TYR . 0.5 OUTLIER -75.33 -58.53 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.4 ' N ' HG22 ' A' ' 61' ' ' ILE . 43.1 p -49.63 -25.65 3.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 110.437 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.566 ' HE3' ' CH2' ' A' ' 37' ' ' TRP . 0.2 OUTLIER -74.0 -44.21 55.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.583 ' CE1' ' HA3' ' A' ' 38' ' ' GLY . 22.2 m-85 -63.04 -44.57 95.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -48.51 -55.54 10.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 110.31 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.23 -35.48 79.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.498 ' CB ' ' HG ' ' A' ' 34' ' ' LEU . . . -64.03 -39.3 93.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 109.305 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 13.1 mt -64.79 -31.53 72.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.21 -33.77 76.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.485 ' CG2' ' O ' ' A' ' 29' ' ' LEU . 5.6 mt -71.6 -41.9 71.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.562 1.163 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -155.06 114.42 2.34 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -4.71 15.81 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.489 1.784 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 75' ' ' ASP . 1.0 OUTLIER -82.55 -6.31 59.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.368 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -68.3 68.93 0.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.6 OUTLIER -51.91 -34.05 39.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.482 ' HG3' ' CE3' ' A' ' 79' ' ' TRP . 40.0 tt0 -65.62 -46.54 78.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.76 -31.4 38.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.45 ' CG1' ' HB2' ' A' ' 111' ' ' GLN . 27.7 t -74.51 -53.07 17.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.482 ' CE3' ' HG3' ' A' ' 76' ' ' GLU . 0.5 OUTLIER -59.3 -47.54 84.99 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.533 1.146 . . . . 0.0 108.014 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.576 ' HB3' ' CZ ' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -50.78 -51.68 48.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 108.31 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.577 HG22 ' CZ ' ' A' ' 108' ' ' PHE . 50.6 mt -52.09 -36.6 20.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.401 ' O ' ' OG1' ' A' ' 86' ' ' THR . . . -73.45 -42.77 40.01 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.48 1.113 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -64.47 -32.13 73.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 0.79 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.438 ' CB ' HD12 ' A' ' 61' ' ' ILE . . . -69.03 -55.16 11.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.562 ' CD1' HD11 ' A' ' 61' ' ' ILE . 7.2 m-85 -60.73 -46.3 90.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 82' ' ' GLY . 90.1 m -55.21 -47.06 75.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 110.408 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.2 t -66.42 -50.65 62.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 110.009 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -52.92 -37.07 60.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.978 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.458 ' HB1' ' CA ' ' A' ' 98' ' ' ALA . . . -58.35 -50.04 75.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.4 ' O ' ' OH ' ' A' ' 140' ' ' TYR . 40.4 m-85 -57.08 -21.55 32.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.976 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.496 ' O ' ' HD3' ' A' ' 93' ' ' PRO . 18.6 mt -94.69 -3.28 49.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.408 HG23 ' N ' ' A' ' 98' ' ' ALA . 1.3 m -98.61 105.71 31.98 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 110.381 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.525 ' HA ' ' CE2' ' A' ' 140' ' ' TYR . 18.3 Cg_endo -75.06 -12.25 21.39 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.485 1.782 . . . . 0.0 111.0 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.632 ' O ' ' CB ' ' A' ' 95' ' ' GLU . 29.6 m-20 -58.66 -48.68 80.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.632 ' CB ' ' O ' ' A' ' 94' ' ' ASP . 2.5 mm-40 97.33 -55.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.6 t -59.32 -41.33 88.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.414 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -74.3 -34.56 63.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.28 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.507 ' CB ' ' NE2' ' A' ' 136' ' ' HIS . . . -69.81 -52.57 23.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.74 -49.91 71.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.445 ' CD2' ' C ' ' A' ' 100' ' ' HIS . 1.0 OUTLIER -57.71 -35.89 71.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.624 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . 0.415 ' OD1' ' CA ' ' A' ' 85' ' ' TYR . 0.3 OUTLIER -68.96 -48.86 62.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.471 ' CE2' ' HB2' ' A' ' 136' ' ' HIS . 6.2 m-85 -51.27 -44.8 61.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.952 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -71.7 -25.68 62.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -72.8 -47.45 46.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.334 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.22 -23.92 67.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.9 m -67.34 -54.94 16.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 110.38 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.427 ' HG3' ' N ' ' A' ' 108' ' ' PHE . 0.9 OUTLIER -51.72 -24.41 5.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 110.329 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.577 ' CZ ' HG22 ' A' ' 81' ' ' ILE . 7.3 m-85 -83.24 -47.8 11.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.979 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.501 ' CD2' ' CG2' ' A' ' 129' ' ' THR . 15.7 m-85 -54.08 -25.15 20.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.143 . . . . 0.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -67.06 -30.22 70.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.45 ' HB2' ' CG1' ' A' ' 78' ' ' VAL . 36.2 mt-30 -81.21 -40.51 23.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.585 ' O ' ' CD2' ' A' ' 122' ' ' TYR . . . -63.57 -50.08 70.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.462 ' O ' ' N ' ' A' ' 117' ' ' PRO . 3.6 m -68.84 -38.46 78.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -44.79 -41.49 7.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.402 ' O ' ' OE1' ' A' ' 116' ' ' GLN . 1.8 mm-40 -75.08 -44.45 47.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 110.312 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.402 ' OE1' ' O ' ' A' ' 115' ' ' GLU . 17.0 mm100 -143.79 82.85 10.9 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.287 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.462 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.4 Cg_endo -75.01 -10.87 21.39 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.513 1.796 . . . . 0.0 111.033 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -91.48 -12.11 35.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -69.9 112.8 6.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.444 ' O ' HD12 ' A' ' 123' ' ' LEU . 2.2 t -52.73 -22.92 5.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.458 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -70.46 -48.67 54.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.589 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.585 ' CD2' ' O ' ' A' ' 112' ' ' ALA . 15.3 m-30 -79.19 -25.67 42.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.531 ' C ' ' CD2' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -69.04 -50.15 51.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.137 . . . . 0.0 109.329 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.527 ' N ' ' CD1' ' A' ' 123' ' ' LEU . 4.2 mptt -50.3 -43.68 53.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.5 ' O ' ' CG2' ' A' ' 129' ' ' THR . 0.7 OUTLIER -55.48 -41.22 72.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.987 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.432 ' O ' ' OG1' ' A' ' 129' ' ' THR . 3.9 tp -69.49 -35.1 75.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.337 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -68.07 -43.56 78.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' MET . . . . . 0.442 ' CE ' HD13 ' A' ' 135' ' ' LEU . 0.1 OUTLIER -64.67 -45.41 86.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.501 ' CG2' ' CD2' ' A' ' 109' ' ' PHE . 40.7 p -53.52 -31.95 48.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.39 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -40.7 -64.02 0.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 109.297 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.494 ' O ' ' CG ' ' A' ' 135' ' ' LEU . 0.4 OUTLIER -95.34 53.15 1.47 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . 0.579 ' N ' ' CD ' ' A' ' 133' ' ' PRO . . . -66.84 -48.33 52.18 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.343 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 132' ' ' ALA . 18.3 Cg_endo -75.03 -27.67 9.76 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.515 1.798 . . . . 0.0 110.954 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . 0.465 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 2.0 mm-40 -80.86 -47.1 14.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.295 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.542 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 20.5 mt -52.61 -41.3 63.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . 0.507 ' NE2' ' CB ' ' A' ' 98' ' ' ALA . 27.4 t-80 -66.66 -44.7 81.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.616 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . 0.521 ' O ' ' CB ' ' A' ' 141' ' ' LYS . . . -61.62 -53.29 58.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.488 ' CG ' ' HA ' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -68.99 -26.76 65.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.275 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.542 ' CB ' ' O ' ' A' ' 135' ' ' LEU . . . -59.11 -51.5 69.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . 0.525 ' CE2' ' HA ' ' A' ' 93' ' ' PRO . 8.0 m-85 -88.17 -42.92 12.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.989 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.521 ' CB ' ' O ' ' A' ' 137' ' ' ALA . 0.0 OUTLIER -55.99 -47.75 77.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . 0.401 ' CB ' ' O ' ' A' ' 138' ' ' GLU . 3.2 tt0 -84.37 125.46 32.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 110.331 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -109.99 -121.29 4.31 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.459 1.099 . . . . 0.0 111.009 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.02 -69.24 0.62 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 0.753 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -59.05 150.79 35.83 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.531 1.144 . . . . 0.0 110.989 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -90.27 -178.09 44.42 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 3.9 m -119.6 96.91 5.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 0.786 . . . . 0.0 110.003 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -146.23 -61.6 0.31 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.561 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 63.4 t60 -61.72 -61.1 2.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.595 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 42.3 p-80 -107.97 106.35 16.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.621 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -159.7 -62.16 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.623 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -53.96 132.8 42.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.595 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 77.4 m-70 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.591 -179.945 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . 0.412 ' O ' ' N ' ' A' ' -1' ' ' GLY . 18.4 Cg_endo -74.97 -44.65 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.456 1.767 . . . . 0.0 111.035 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 68.86 -70.01 0.14 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' -3' ' ' PRO . . . 138.09 74.85 0.06 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.555 1.159 . . . . 0.0 111.012 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.5 -31.54 62.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 0.775 . . . . 0.0 110.039 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -76.03 119.42 19.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.964 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -87.7 -60.65 1.91 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.56 1.162 . . . . 0.0 109.298 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 82.1 p -132.98 174.53 10.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 110.38 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -179.66 -155.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.338 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.541 ' O ' ' CG ' ' A' ' 6' ' ' GLU . 8.5 m -87.01 6.93 29.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 110.408 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.541 ' CG ' ' O ' ' A' ' 5' ' ' THR . 0.0 OUTLIER 88.18 -23.06 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.43 ' CE2' HG23 ' A' ' 5' ' ' THR . 23.3 m-85 -65.65 -55.2 18.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 111.028 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.03 -32.54 6.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.442 ' CG ' ' CE2' ' A' ' 13' ' ' PHE . 8.3 ttm180 -75.5 -34.99 60.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.34 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.467 HD12 ' CG ' ' A' ' 47' ' ' PHE . 35.1 mt -57.53 -43.43 83.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.346 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.4 mt -57.01 -41.37 78.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.454 ' CD1' HD12 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -58.78 -51.52 69.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.493 ' CE2' ' HB3' ' A' ' 43' ' ' GLU . 14.9 m-85 -63.73 -37.31 86.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 111.015 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -58.67 -58.36 8.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.108 . . . . 0.0 110.277 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.443 ' CG ' ' O ' ' A' ' 12' ' ' LEU . 5.5 pt20 -51.87 -29.06 18.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.266 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.454 HD12 ' CD1' ' A' ' 12' ' ' LEU . 7.9 mt -71.73 -53.08 21.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 109.342 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.4 ttt180 -49.06 -59.37 3.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.429 ' HG3' ' O ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -53.49 -37.72 62.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.405 ' HB2' ' O ' ' A' ' 15' ' ' GLN . 0.1 OUTLIER -68.46 -38.58 81.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.503 ' CB ' ' CG ' ' A' ' 37' ' ' TRP . . . -56.96 -41.34 78.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.628 ' HG2' ' CZ2' ' A' ' 37' ' ' TRP . 1.4 mt-10 -66.53 -39.42 88.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.32 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.418 ' ND2' ' N ' ' A' ' 22' ' ' ASN . 0.8 OUTLIER -74.72 -32.75 62.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.239 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.502 HG22 ' CB ' ' A' ' 33' ' ' ASN . 21.4 m -66.71 -23.18 66.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.418 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.475 ' O ' ' N ' ' A' ' 28' ' ' PRO . 0.0 OUTLIER -65.38 -62.96 1.22 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 110.975 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.32 -23.45 62.48 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.06 -25.67 25.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 110.008 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.486 ' C ' ' H ' ' A' ' 29' ' ' LEU . 2.6 t-20 -169.55 79.38 0.67 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.475 ' N ' ' O ' ' A' ' 24' ' ' TYR . 18.2 Cg_endo -74.99 20.78 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.514 1.797 . . . . 0.0 111.004 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.486 ' H ' ' C ' ' A' ' 27' ' ' ASN . 13.0 mt -131.71 14.2 4.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.409 ' O ' ' HB2' ' A' ' 34' ' ' LEU . 1.0 OUTLIER -90.64 98.03 11.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.77 -30.38 67.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -60.76 -54.59 43.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.252 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.502 ' CB ' HG22 ' A' ' 23' ' ' THR . 0.4 OUTLIER -71.24 -42.68 68.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.423 HD11 ' O ' ' A' ' 34' ' ' LEU . 0.3 OUTLIER -51.05 -56.05 14.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.245 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 m -58.7 -34.58 71.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.401 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.451 ' CZ ' HD11 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -70.51 -26.16 63.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.113 . . . . 0.0 110.321 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.628 ' CZ2' ' HG2' ' A' ' 21' ' ' GLU . 4.5 t90 -61.48 -26.73 68.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 107.98 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.599 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -83.66 -59.45 2.11 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.553 1.158 . . . . 0.0 110.961 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 38' ' ' GLY . . . -36.15 -46.07 0.94 Allowed Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.497 ' CG1' ' N ' ' A' ' 41' ' ' LEU . 1.1 p -67.22 -49.61 70.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.511 0.771 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.497 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 12.1 mt -49.7 -44.16 47.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.464 HD23 ' CB ' ' A' ' 60' ' ' ALA . 18.0 mt -65.39 -38.34 89.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.493 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 8.0 mm-40 -63.53 -58.72 6.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.453 ' O ' ' CD2' ' A' ' 47' ' ' PHE . 16.5 mt -62.03 -27.35 68.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.2 m -61.8 -35.01 76.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.977 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.432 ' HG2' ' N ' ' A' ' 47' ' ' PHE . 0.6 OUTLIER -61.57 -37.71 84.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.292 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.615 ' CZ ' ' CE1' ' A' ' 48' ' ' HIS . 0.0 OUTLIER -80.24 -30.88 38.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 111.017 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.615 ' CE1' ' CZ ' ' A' ' 47' ' ' PHE . 4.7 m-70 -78.97 143.37 35.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.582 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.6 m -51.17 160.5 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.086 . . . . 0.0 110.037 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.481 ' CG1' HD21 ' A' ' 91' ' ' LEU . 0.1 OUTLIER -55.37 -48.02 77.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.421 ' N ' HG21 ' A' ' 50' ' ' ILE . 13.1 p -44.56 -53.63 6.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 110.052 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -75.23 -38.34 60.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -46.61 -54.54 9.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.68 -57.78 7.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -51.63 -49.25 62.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 85.6 mtp -60.94 -38.92 87.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 111.003 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.422 ' CG2' ' HB2' ' A' ' 88' ' ' PHE . 8.9 mt -68.02 -55.51 16.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.404 ' O ' ' HB ' ' A' ' 61' ' ' ILE . 2.1 mm100 -49.13 -46.42 45.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.493 ' O ' ' OG1' ' A' ' 62' ' ' THR . 2.7 tp10 -66.59 -39.19 88.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.464 ' CB ' HD23 ' A' ' 42' ' ' LEU . . . -59.94 -31.63 70.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.498 HG12 ' CE1' ' A' ' 85' ' ' TYR . 0.9 OUTLIER -62.39 -49.69 82.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.15 . . . . 0.0 109.312 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.493 ' OG1' ' O ' ' A' ' 59' ' ' GLU . 27.6 p -53.99 -42.88 69.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.164 . . . . 0.0 110.376 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.524 ' HE2' ' CD2' ' A' ' 37' ' ' TRP . 11.7 mmtm -49.49 -56.0 11.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.599 ' CE1' ' HA3' ' A' ' 38' ' ' GLY . 14.6 m-85 -57.65 -44.58 85.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -47.96 -53.92 14.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.275 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -65.04 -35.19 80.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.269 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.95 -45.42 85.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.44 ' CD1' HD12 ' A' ' 81' ' ' ILE . 10.5 mt -60.09 -31.69 70.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.1 mt -64.24 -43.53 94.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 6.1 mt -64.04 -44.42 97.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -150.6 112.74 3.2 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -6.9 18.65 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.504 1.791 . . . . 0.0 110.973 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 75' ' ' ASP . 31.1 mttt -82.75 -5.72 59.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.9 tptp -65.23 75.21 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.341 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 73' ' ' LYS . 2.5 p30 -52.09 -33.78 40.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.442 ' HG3' ' CE3' ' A' ' 79' ' ' TRP . 37.4 tt0 -66.45 -47.87 71.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.36 -32.3 37.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.271 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.439 ' CG1' ' HB2' ' A' ' 111' ' ' GLN . 27.8 t -74.6 -53.45 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.514 ' CD1' ' OG ' ' A' ' 125' ' ' SER . 0.5 OUTLIER -58.32 -46.91 85.27 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.597 ' SG ' ' CZ ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -51.07 -51.38 53.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 108.302 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.566 HG23 ' CZ ' ' A' ' 108' ' ' PHE . 49.4 mt -51.99 -39.75 26.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.467 ' CA ' ' HB3' ' A' ' 105' ' ' ALA . . . -70.87 -39.67 64.59 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.485 1.116 . . . . 0.0 110.986 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -64.64 -32.25 73.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 0.795 . . . . 0.0 109.329 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.458 ' HB3' ' CD1' ' A' ' 61' ' ' ILE . . . -70.02 -55.6 9.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.498 ' CE1' HG12 ' A' ' 61' ' ' ILE . 12.0 m-85 -59.14 -41.94 89.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 111.017 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 55.4 m -57.46 -48.26 79.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.403 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.4 m -65.89 -52.24 51.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.036 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.422 ' HB2' ' CG2' ' A' ' 57' ' ' ILE . 53.6 t80 -51.46 -40.33 59.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.98 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.561 ' HB3' ' CD2' ' A' ' 102' ' ' PHE . . . -56.08 -49.74 72.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.402 ' O ' ' OH ' ' A' ' 140' ' ' TYR . 38.8 m-85 -58.52 -18.64 30.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 111.044 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.481 HD21 ' CG1' ' A' ' 50' ' ' ILE . 8.3 mt -92.02 -25.55 18.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.63 120.01 64.17 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 110.432 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.402 ' O ' ' N ' ' A' ' 95' ' ' GLU . 18.3 Cg_endo -75.0 -23.21 14.03 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.477 1.777 . . . . 0.0 110.988 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.66 89.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 93' ' ' PRO . 91.4 mt-10 -41.51 -47.31 3.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.4 m -52.62 -54.69 29.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.432 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -68.51 -50.18 54.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.319 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -52.69 -54.03 39.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.98 -53.09 61.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.451 ' CD2' ' C ' ' A' ' 100' ' ' HIS . 1.2 t60 -49.45 -45.64 46.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.583 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -68.86 -50.67 47.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.088 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.569 ' CE2' ' HB2' ' A' ' 136' ' ' HIS . 1.8 m-85 -52.83 -41.36 64.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.972 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.58 -20.91 59.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.437 ' O ' ' CG ' ' A' ' 107' ' ' GLN . 0.1 OUTLIER -73.07 -46.66 50.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.467 ' HB3' ' CA ' ' A' ' 82' ' ' GLY . . . -58.7 -29.43 66.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.496 ' OG1' ' CG2' ' A' ' 129' ' ' THR . 20.3 m -61.77 -56.29 21.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 110.398 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.437 ' CG ' ' O ' ' A' ' 104' ' ' LEU . 1.8 pt20 -54.66 -23.25 16.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.287 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.566 ' CZ ' HG23 ' A' ' 81' ' ' ILE . 7.3 m-85 -83.3 -49.23 9.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 110.973 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.554 ' CE2' ' OG1' ' A' ' 129' ' ' THR . 20.5 m-85 -55.24 -20.1 10.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 111.007 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -73.9 -26.51 60.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.439 ' HB2' ' CG1' ' A' ' 78' ' ' VAL . 38.6 mt-30 -81.45 -42.95 19.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 110.283 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -50.76 -52.08 44.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.35 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 117' ' ' PRO . 5.7 m -67.0 -37.53 79.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -45.32 -47.5 13.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -68.73 -40.43 79.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.312 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -157.29 90.01 2.47 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.297 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.443 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.3 Cg_endo -75.01 -3.15 13.5 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.479 1.778 . . . . 0.0 110.996 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.8 -11.99 52.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -68.41 116.81 9.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.332 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 37.7 p -56.52 -46.37 80.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.413 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.438 ' H ' ' CD2' ' A' ' 121' ' ' HIS . 11.5 m-70 -51.42 -59.48 4.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.591 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.4 ' HB3' ' CG1' ' A' ' 113' ' ' VAL . 10.9 m-30 -51.92 -33.61 37.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.524 ' C ' ' CD2' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -65.99 -49.24 68.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.413 ' N ' HD12 ' A' ' 123' ' ' LEU . 13.6 tptt -63.62 -46.03 87.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.249 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.514 ' OG ' ' CD1' ' A' ' 79' ' ' TRP . 0.1 OUTLIER -57.24 -45.12 84.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 110.014 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 31.2 tp -72.13 -39.51 68.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.253 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.59 -46.93 83.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 110.359 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 6.0 mmm -63.74 -36.12 82.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.554 ' OG1' ' CE2' ' A' ' 109' ' ' PHE . 0.9 OUTLIER -59.78 -23.82 63.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.425 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -41.95 -59.06 1.84 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.095 . . . . 0.0 109.358 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.507 ' O ' ' CG ' ' A' ' 135' ' ' LEU . 1.8 mptm? -95.76 47.63 1.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 109.273 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . 0.541 ' N ' ' CD ' ' A' ' 133' ' ' PRO . . . -63.28 -49.93 77.19 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . 0.541 ' CD ' ' N ' ' A' ' 132' ' ' ALA . 18.3 Cg_endo -75.02 -27.28 10.11 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.501 1.79 . . . . 0.0 110.989 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -78.37 -48.14 16.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.15 . . . . 0.0 110.327 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.573 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 7.1 mt -48.45 -38.1 18.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.264 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . 0.602 ' CD2' ' CE1' ' A' ' 140' ' ' TYR . 31.2 t-80 -69.35 -44.34 71.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.618 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . 0.536 ' O ' ' CB ' ' A' ' 141' ' ' LYS . . . -61.79 -51.8 66.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.25 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.504 ' CG ' ' HA ' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -68.98 -27.46 65.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 110.312 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.573 ' CB ' ' O ' ' A' ' 135' ' ' LEU . . . -69.1 -49.88 53.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . 0.602 ' CE1' ' CD2' ' A' ' 136' ' ' HIS . 5.8 m-85 -80.14 -33.04 38.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 110.945 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.536 ' CB ' ' O ' ' A' ' 137' ' ' ALA . 0.0 OUTLIER -67.61 -48.04 67.94 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -85.75 124.89 32.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.113 . . . . 0.0 110.315 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 162.74 -83.15 0.12 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.516 1.135 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -66.29 146.67 54.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 0.781 . . . . 0.0 109.314 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -44.73 122.69 5.0 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.487 1.117 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 156.38 148.82 5.18 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 23.1 t -162.5 118.64 1.93 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 0.752 . . . . 0.0 110.037 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 14.2 p-80 -167.09 159.28 12.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.615 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -172.08 157.9 4.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.147 . . . . 0.0 109.625 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -133.39 169.45 16.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.571 1.169 . . . . 0.0 109.636 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -142.76 161.91 36.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.607 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 4.6 p-80 -161.12 137.44 8.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.607 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 17.3 t-160 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.601 -179.99 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 171.65 17.9 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.511 1.795 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -172.61 -68.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 156.45 -81.55 0.16 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.452 1.095 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 90.5 p -78.39 -36.25 46.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 0.776 . . . . 0.0 109.958 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 68.21 -65.82 0.25 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -163.77 -176.77 4.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 109.284 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.0 t -144.15 175.56 9.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.43 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.411 ' O ' ' N ' ' A' ' 6' ' ' GLU . 4.1 mt-10 62.17 170.89 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.284 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.554 ' O ' ' CG ' ' A' ' 6' ' ' GLU . 0.2 OUTLIER 69.38 -59.71 0.48 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.385 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.554 ' CG ' ' O ' ' A' ' 5' ' ' THR . 0.0 OUTLIER 89.83 -23.55 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.331 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.474 ' CD2' HG21 ' A' ' 5' ' ' THR . 22.1 m-85 -66.04 -54.26 28.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 111.014 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -47.94 -32.12 6.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.337 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.8 ttm180 -76.64 -31.86 57.63 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.529 1.143 . . . . 0.0 110.291 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.566 HD11 ' CD1' ' A' ' 47' ' ' PHE . 59.0 mt -60.53 -43.5 94.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.2 mt -55.46 -44.27 76.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.451 1.094 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.474 HD11 ' CD1' ' A' ' 16' ' ' ILE . 0.1 OUTLIER -55.26 -52.28 63.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.461 ' N ' ' HG ' ' A' ' 12' ' ' LEU . 18.6 m-85 -64.02 -36.18 83.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.127 . . . . 0.0 110.996 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -56.01 -60.0 4.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.329 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.452 ' CG ' ' O ' ' A' ' 12' ' ' LEU . 8.2 pt20 -51.22 -31.33 20.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 110.312 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.474 ' CD1' HD11 ' A' ' 12' ' ' LEU . 22.4 mt -71.7 -51.68 30.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 -48.72 -58.2 5.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.315 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.413 ' HG3' ' O ' ' A' ' 15' ' ' GLN . 0.1 OUTLIER -59.5 -39.31 83.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.268 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.466 ' O ' ' CB ' ' A' ' 23' ' ' THR . 0.3 OUTLIER -65.6 -40.74 93.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.47 ' CB ' ' HB2' ' A' ' 37' ' ' TRP . . . -73.56 -56.83 4.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.342 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.554 ' HG3' ' CZ2' ' A' ' 37' ' ' TRP . 8.8 tt0 -50.61 -50.15 54.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.436 1.085 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.6 t30 -64.12 -45.97 86.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.563 ' CG2' ' CG ' ' A' ' 33' ' ' ASN . 2.2 m -56.29 -24.47 43.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.118 . . . . 0.0 110.393 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.451 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 7.6 t80 -52.51 -60.04 3.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.979 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.64 -28.4 68.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.78 -31.41 68.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.016 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 23' ' ' THR . 1.2 t-20 -168.95 87.8 0.63 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 109.335 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 0.2 9.21 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.453 1.765 . . . . 0.0 110.975 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.431 ' O ' ' CG2' ' A' ' 70' ' ' ILE . 11.3 mt -93.47 -20.15 20.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.494 ' O ' ' CB ' ' A' ' 34' ' ' LEU . 11.4 t0 -64.84 99.62 0.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.6 -28.14 63.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.76 -55.83 10.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.563 ' CG ' ' CG2' ' A' ' 23' ' ' THR . 25.3 t-20 -68.84 -34.58 75.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.494 ' CB ' ' O ' ' A' ' 30' ' ' ASP . 0.2 OUTLIER -62.66 -56.29 19.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.1 m -58.9 -45.59 89.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.394 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -56.16 -42.66 77.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.281 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.558 ' CH2' ' HE3' ' A' ' 63' ' ' LYS . 12.8 t90 -48.64 -26.58 2.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 107.991 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.496 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -83.95 -59.47 2.08 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.462 1.101 . . . . 0.0 110.997 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 38' ' ' GLY . . . -36.56 -45.84 1.03 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.486 ' CG1' ' N ' ' A' ' 41' ' ' LEU . 0.4 OUTLIER -67.41 -48.62 76.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.551 0.795 . . . . 0.0 109.287 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.486 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 16.5 mt -48.21 -44.71 33.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.478 HD21 ' CB ' ' A' ' 60' ' ' ALA . 15.3 mt -65.56 -37.35 86.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.117 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.4 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 18.1 mm-40 -65.79 -58.91 4.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 110.293 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 67.3 mt -61.86 -27.03 68.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.0 -39.17 71.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.125 . . . . 0.0 110.003 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.509 ' HG2' ' N ' ' A' ' 47' ' ' PHE . 1.1 pt20 -67.9 -32.36 72.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.34 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.566 ' CD1' HD11 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -80.56 -22.11 41.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 111.053 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.455 ' CE1' ' CE2' ' A' ' 47' ' ' PHE . 2.8 m-70 -80.01 -101.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.579 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 53.9 p -179.15 150.38 0.45 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.04 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.443 HG23 ' CD ' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -45.4 -35.22 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 42.9 t -55.22 -56.73 16.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.967 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -81.69 -37.54 27.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 57' ' ' ILE . . . -45.47 -52.16 10.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.443 ' CD ' HG23 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -49.49 -57.52 6.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.581 1.175 . . . . 0.0 109.274 -179.929 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -60.77 -45.04 95.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.325 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.2 mmm -59.72 -34.05 72.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.974 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.405 ' N ' ' O ' ' A' ' 53' ' ' ALA . 26.8 mt -72.61 -47.0 52.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 109.289 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -48.38 -54.04 15.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.315 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.461 ' CG ' HD13 ' A' ' 41' ' ' LEU . 3.8 pt-20 -65.73 -35.57 81.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.309 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.478 ' CB ' HD21 ' A' ' 42' ' ' LEU . . . -59.57 -29.14 67.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.566 HG12 ' CE1' ' A' ' 85' ' ' TYR . 0.5 OUTLIER -76.26 -57.71 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.427 ' N ' HG22 ' A' ' 61' ' ' ILE . 58.5 p -49.89 -23.84 2.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.422 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.558 ' HE3' ' CH2' ' A' ' 37' ' ' TRP . 0.1 OUTLIER -73.13 -51.06 19.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.496 ' CE1' ' HA3' ' A' ' 38' ' ' GLY . 17.1 m-85 -58.67 -42.36 88.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.58 -55.82 10.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.28 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.462 ' HB3' ' CD2' ' A' ' 34' ' ' LEU . 4.9 tt0 -60.67 -40.89 93.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.298 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.468 ' CB ' ' HG ' ' A' ' 34' ' ' LEU . . . -62.47 -37.88 87.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.443 ' HG ' ' CB ' ' A' ' 77' ' ' ALA . 5.6 mt -66.03 -28.68 69.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.43 -41.62 76.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.431 ' CG2' ' O ' ' A' ' 29' ' ' LEU . 4.5 mt -64.8 -39.42 85.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -150.03 108.24 3.23 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -11.07 21.4 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.48 1.779 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.3 ptmm? -89.03 2.97 53.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.7 tptp -74.0 84.26 1.76 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.448 ' N ' ' OD1' ' A' ' 75' ' ' ASP . 0.3 OUTLIER -53.95 -38.06 64.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.481 ' HG3' ' CE3' ' A' ' 79' ' ' TRP . 1.7 tp10 -57.69 -51.82 67.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.27 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.443 ' CB ' ' HG ' ' A' ' 68' ' ' LEU . . . -53.08 -32.9 49.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.328 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.465 ' CG1' ' HB2' ' A' ' 111' ' ' GLN . 28.1 t -74.69 -53.24 17.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.492 ' CZ3' ' SG ' ' A' ' 80' ' ' CYS . 0.4 OUTLIER -59.01 -45.5 90.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 107.998 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.493 ' HB3' ' CZ ' ' A' ' 64' ' ' PHE . 0.6 OUTLIER -50.43 -54.12 24.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 0.0 108.325 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.44 HD11 ' CD1' ' A' ' 68' ' ' LEU . 77.1 mt -51.88 -43.3 35.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.448 ' CA ' ' HB1' ' A' ' 105' ' ' ALA . . . -68.15 -39.73 88.35 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.519 1.137 . . . . 0.0 111.028 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 52.1 t-20 -64.5 -36.02 82.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.423 0.72 . . . . 0.0 109.309 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.479 ' HB3' ' CD1' ' A' ' 61' ' ' ILE . . . -68.89 -55.38 11.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.566 ' CE1' HG12 ' A' ' 61' ' ' ILE . 16.6 m-30 -54.25 -47.03 72.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 7.7 m -54.69 -53.07 59.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 110.4 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.403 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 11.3 t -62.36 -52.93 61.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.983 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -51.76 -33.3 34.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 111.017 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.65 ' CB ' ' CE2' ' A' ' 102' ' ' PHE . . . -64.1 -50.17 69.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.412 ' O ' ' OH ' ' A' ' 140' ' ' TYR . 32.3 m-85 -54.14 -19.0 4.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.987 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.424 ' CB ' ' HD2' ' A' ' 54' ' ' LYS . 0.9 OUTLIER -94.53 -21.29 18.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.321 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.412 ' N ' ' O ' ' A' ' 89' ' ' ALA . 0.9 OUTLIER -96.89 116.21 65.99 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.45 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.441 ' O ' ' N ' ' A' ' 95' ' ' GLU . 18.4 Cg_endo -74.96 -24.38 12.98 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.506 1.793 . . . . 0.0 111.042 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -58.86 86.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 93' ' ' PRO . 45.4 mt-10 -40.21 -46.84 2.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 110.306 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.46 ' CG2' ' N ' ' A' ' 97' ' ' GLU . 14.8 t -52.7 -53.26 50.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 110.386 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.46 ' N ' ' CG2' ' A' ' 96' ' ' THR . 6.4 mt-10 -70.61 -50.38 37.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 110.284 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -53.09 -54.41 35.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.2 ttmm -59.93 -47.2 86.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.511 ' CD2' ' C ' ' A' ' 100' ' ' HIS . 0.4 OUTLIER -53.01 -40.72 64.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.597 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . 0.401 ' O ' ' N ' ' A' ' 104' ' ' LEU . 0.8 OUTLIER -73.2 -53.95 9.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.65 ' CE2' ' CB ' ' A' ' 89' ' ' ALA . 5.6 m-85 -50.95 -40.21 56.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -74.76 -19.39 60.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.401 ' N ' ' O ' ' A' ' 101' ' ' ASN . 0.3 OUTLIER -77.76 -53.27 7.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.448 ' HB1' ' CA ' ' A' ' 82' ' ' GLY . . . -51.53 -25.96 7.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.528 ' OG1' ' CG2' ' A' ' 129' ' ' THR . 2.8 m -62.52 -55.04 31.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.434 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -54.95 -25.01 26.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.128 . . . . 0.0 110.311 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.425 ' CZ ' HG22 ' A' ' 81' ' ' ILE . 20.3 m-85 -82.33 -46.36 13.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.998 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.488 ' CE2' ' OG1' ' A' ' 129' ' ' THR . 7.7 m-85 -53.99 -28.31 37.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.951 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -71.87 -24.67 61.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.465 ' HB2' ' CG1' ' A' ' 78' ' ' VAL . 33.6 mt-30 -81.0 -36.0 31.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 110.333 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.43 -52.45 64.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.473 ' O ' ' N ' ' A' ' 117' ' ' PRO . 6.1 m -65.49 -37.23 79.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -45.3 -52.7 9.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -65.44 -43.9 89.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.265 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -153.64 91.01 3.31 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.29 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.473 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.1 Cg_endo -75.07 -4.46 15.42 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.47 1.774 . . . . 0.0 110.97 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.58 -12.2 52.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.31 115.16 4.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 72.4 p -57.64 -38.29 74.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.414 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.458 ' H ' ' CD2' ' A' ' 121' ' ' HIS . 8.6 m-70 -58.21 -59.55 5.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.594 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 11.8 m-30 -53.18 -37.32 61.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.514 ' C ' ' CD2' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -60.3 -48.1 83.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.42 ' N ' HD11 ' A' ' 123' ' ' LEU . 0.2 OUTLIER -65.74 -39.29 90.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.422 ' O ' ' OG1' ' A' ' 129' ' ' THR . 0.7 OUTLIER -60.01 -54.49 45.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.962 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 21.0 tp -65.22 -46.43 80.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -50.44 -47.05 56.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.295 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' MET . . . . . 0.469 ' CE ' HD23 ' A' ' 135' ' ' LEU . 2.9 mtp -68.38 -28.51 67.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.95 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.528 ' CG2' ' OG1' ' A' ' 106' ' ' THR . 25.8 m -61.37 -22.5 65.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.362 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -51.28 -42.77 61.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.431 1.082 . . . . 0.0 109.303 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.444 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 0.1 OUTLIER -113.86 41.39 2.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . 0.476 ' N ' ' CD ' ' A' ' 133' ' ' PRO . . . -59.93 -53.56 64.08 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' A' ' 132' ' ' ALA . 18.3 Cg_endo -74.96 -21.33 16.06 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.488 1.783 . . . . 0.0 111.013 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 64.7 tp60 -80.46 -49.43 11.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.28 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.597 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 6.9 mt -49.77 -42.92 47.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . 0.59 ' HB2' ' CE2' ' A' ' 102' ' ' PHE . 6.7 t-80 -66.63 -42.99 85.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 109.633 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . 0.439 ' O ' ' HB2' ' A' ' 141' ' ' LYS . . . -62.05 -53.58 53.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.469 ' CG ' ' HA ' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -67.77 -37.02 81.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.303 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.597 ' CB ' ' O ' ' A' ' 135' ' ' LEU . . . -57.47 -36.81 71.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.423 1.077 . . . . 0.0 109.286 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . 0.473 ' CD1' ' O ' ' A' ' 136' ' ' HIS . 3.9 m-85 -88.25 -42.57 12.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 111.014 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.439 ' HB2' ' O ' ' A' ' 137' ' ' ALA . 0.0 OUTLIER -62.44 -47.9 82.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.23 104.13 12.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 110.323 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 108.22 135.53 7.61 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.518 1.136 . . . . 0.0 110.957 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 78.85 -68.46 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 0.796 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -60.34 104.7 0.65 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.471 1.107 . . . . 0.0 110.991 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -74.31 -164.04 10.49 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 49.2 86.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 0.764 . . . . 0.0 109.987 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 45.6 p-80 -131.5 172.05 12.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.085 . . . . 0.0 109.576 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -154.19 87.54 1.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.593 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -94.22 120.7 34.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.603 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -116.24 169.18 9.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.093 . . . . 0.0 109.607 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 5.2 t-160 63.53 149.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.607 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 14.9 t60 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.562 -179.943 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 171.25 18.68 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.501 1.79 . . . . 0.0 110.981 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 3.6 mp -151.02 -65.85 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 64.42 -145.71 49.77 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.519 1.137 . . . . 0.0 111.034 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 0' ' ' SER . . . . . 0.475 ' HB2' ' CG2' ' A' ' 3' ' ' THR . 68.0 m -73.04 -31.96 64.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 0.756 . . . . 0.0 109.988 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 72.71 -56.62 0.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.979 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -77.52 55.51 1.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.275 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.475 ' CG2' ' HB2' ' A' ' 0' ' ' SER . 77.8 p -103.09 -21.19 13.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.363 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -153.2 131.07 11.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 110.292 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 53.4 m -63.92 -54.53 33.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.425 1.078 . . . . 0.0 110.389 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 173.58 -48.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.334 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -46.07 -54.92 7.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 111.006 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -47.63 -42.47 24.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.463 ' HG2' ' CE2' ' A' ' 13' ' ' PHE . 13.7 ttm180 -71.48 -34.76 70.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.088 . . . . 0.0 110.289 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 90.5 mt -58.97 -45.33 92.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.2 mt -57.12 -34.72 68.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.127 . . . . 0.0 109.261 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.457 ' CD1' HD13 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -66.67 -49.09 67.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.268 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.463 ' CE2' ' HG2' ' A' ' 9' ' ' ARG . 11.4 m-85 -63.89 -34.67 78.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -55.74 -51.94 65.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 110.328 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.524 ' HG3' ' N ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -63.17 -28.06 69.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.302 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.524 ' N ' ' HG3' ' A' ' 15' ' ' GLN . 72.6 mt -71.5 -53.44 20.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.373 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -55.14 -35.62 64.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 110.326 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.411 ' O ' ' HB3' ' A' ' 22' ' ' ASN . 6.2 tt0 -69.36 -53.89 17.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.297 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.492 ' O ' ' OD1' ' A' ' 22' ' ' ASN . 0.2 OUTLIER -65.01 -31.75 73.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.417 ' CB ' ' HA ' ' A' ' 37' ' ' TRP . . . -73.61 -46.12 48.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.585 ' HG3' ' CZ2' ' A' ' 37' ' ' TRP . 12.0 tt0 -66.67 -46.26 76.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.3 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.492 ' OD1' ' O ' ' A' ' 19' ' ' ASP . 0.2 OUTLIER -64.97 -42.62 94.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.538 ' CG2' ' CG ' ' A' ' 33' ' ' ASN . 2.0 m -55.99 -25.06 42.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.425 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -53.05 -60.01 3.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 110.955 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.26 -27.73 69.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.58 -36.16 73.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.049 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -169.47 89.98 0.57 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.329 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 0.63 8.65 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.486 1.782 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.485 ' O ' ' CG2' ' A' ' 70' ' ' ILE . 10.3 mt -93.54 -19.65 21.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.342 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.41 ' O ' ' CB ' ' A' ' 34' ' ' LEU . 0.5 OUTLIER -65.49 101.85 0.64 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.88 -22.39 60.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -69.85 -56.07 8.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.538 ' CG ' ' CG2' ' A' ' 23' ' ' THR . 24.1 t-20 -70.81 -35.89 72.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.494 ' HG ' ' CB ' ' A' ' 67' ' ' ALA . 0.7 OUTLIER -61.33 -51.65 67.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.0 m -63.56 -33.06 74.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.402 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.466 ' CZ ' HG21 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -70.46 -41.84 72.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.286 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.585 ' CZ2' ' HG3' ' A' ' 21' ' ' GLU . 12.0 t90 -50.81 -27.34 7.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 108.024 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.567 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -84.53 -57.18 2.37 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -37.78 -45.77 1.57 Allowed Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.482 ' CG1' ' N ' ' A' ' 41' ' ' LEU . 0.5 OUTLIER -67.35 -48.15 78.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.488 0.758 . . . . 0.0 109.279 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.487 HD11 ' CG ' ' A' ' 59' ' ' GLU . 13.5 mt -48.57 -44.16 36.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.406 HD23 ' CB ' ' A' ' 60' ' ' ALA . 14.9 mt -65.5 -37.15 85.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.422 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 18.5 mm-40 -65.55 -58.88 4.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.323 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.536 HD21 ' CE2' ' A' ' 47' ' ' PHE . 20.5 mt -62.04 -26.89 68.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.86 -37.0 63.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.98 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.435 ' HG2' ' N ' ' A' ' 47' ' ' PHE . 5.0 pt20 -67.87 -35.88 79.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.714 ' CE2' ' CD2' ' A' ' 48' ' ' HIS . 0.0 OUTLIER -80.62 -34.94 34.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.977 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.714 ' CD2' ' CE2' ' A' ' 47' ' ' PHE . 4.8 m-70 -78.73 142.77 36.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.591 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.1 m -41.27 152.85 0.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.997 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.474 HG13 ' CD2' ' A' ' 91' ' ' LEU . 0.4 OUTLIER -55.53 -51.16 60.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.428 ' N ' HG21 ' A' ' 50' ' ' ILE . 14.0 t -46.55 -56.36 6.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.994 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.412 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 1.1 m-20 -67.58 -33.17 74.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.476 ' O ' ' CD1' ' A' ' 57' ' ' ILE . . . -59.2 -38.05 78.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.4 mtpt -65.53 -58.37 5.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.317 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.412 ' HG2' ' O ' ' A' ' 52' ' ' ASP . 6.0 pt20 -59.4 -35.74 74.53 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.427 1.079 . . . . 0.0 110.319 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.421 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 79.4 mtp -68.41 -34.03 75.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 110.991 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.476 ' CD1' ' O ' ' A' ' 53' ' ' ALA . 17.4 mt -72.96 -36.53 51.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.266 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -56.39 -54.63 43.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.342 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.487 ' CG ' HD11 ' A' ' 41' ' ' LEU . 2.9 pt-20 -60.96 -33.4 73.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.274 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.48 ' N ' ' HG2' ' A' ' 59' ' ' GLU . . . -60.18 -40.65 90.71 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -65.54 -55.37 20.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.425 ' OG1' ' O ' ' A' ' 59' ' ' GLU . 61.7 p -49.63 -29.07 6.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.377 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.574 ' HE2' ' CH2' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -69.42 -49.61 53.54 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.567 ' CE1' ' HA3' ' A' ' 38' ' ' GLY . 19.0 m-85 -60.4 -39.09 86.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 111.023 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -48.77 -55.66 10.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 110.281 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.14 -39.9 93.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.312 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.494 ' CB ' ' HG ' ' A' ' 34' ' ' LEU . . . -60.06 -34.67 73.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.8 mt -69.0 -30.93 69.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.82 -31.42 72.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.485 ' CG2' ' O ' ' A' ' 29' ' ' LEU . 4.5 mt -75.56 -38.13 38.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -152.1 107.31 2.82 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.25 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -16.84 19.98 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.467 1.772 . . . . 0.0 111.065 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.9 pttt -82.88 1.36 39.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.4 75.85 0.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.479 ' HB3' ' CG ' ' A' ' 115' ' ' GLU . 0.0 OUTLIER -51.39 -25.52 6.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.506 ' HG3' ' CE3' ' A' ' 79' ' ' TRP . 8.9 tt0 -70.02 -52.92 20.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.325 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.29 -31.94 35.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.354 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.473 ' CG1' ' HB2' ' A' ' 111' ' ' GLN . 33.2 t -74.72 -53.51 16.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.506 ' CE3' ' HG3' ' A' ' 76' ' ' GLU . 0.3 OUTLIER -58.19 -46.54 85.6 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.465 ' HB3' ' CZ ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -50.41 -52.97 32.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 108.29 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.567 HG21 ' CZ ' ' A' ' 108' ' ' PHE . 57.7 mt -51.98 -40.38 28.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -70.85 -40.94 63.52 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.48 1.113 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -64.6 -32.88 74.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 0.793 . . . . 0.0 109.287 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.5 -55.59 9.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.576 ' CE2' HD13 ' A' ' 104' ' ' LEU . 8.0 m-85 -59.98 -43.02 95.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 38.6 m -54.8 -46.19 74.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 110.378 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.406 ' O ' ' HB2' ' A' ' 90' ' ' PHE . 4.8 m -67.09 -50.15 62.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.987 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -52.57 -38.23 59.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.434 ' HB1' ' CE2' ' A' ' 102' ' ' PHE . . . -57.98 -47.86 81.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.411 ' O ' ' OH ' ' A' ' 140' ' ' TYR . 35.1 m-85 -59.78 -20.78 58.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.474 ' CD2' HG13 ' A' ' 50' ' ' ILE . 19.9 mt -94.28 -5.75 46.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.45 ' O ' ' NE2' ' A' ' 136' ' ' HIS . 1.0 OUTLIER -97.24 109.24 48.78 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.399 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.538 ' HA ' ' CE2' ' A' ' 140' ' ' TYR . 18.2 Cg_endo -75.01 -16.93 19.92 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.53 1.805 . . . . 0.0 111.005 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.506 ' O ' ' CG ' ' A' ' 95' ' ' GLU . 13.2 t70 -61.18 -126.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.342 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.506 ' CG ' ' O ' ' A' ' 94' ' ' ASP . 2.4 mt-10 -171.71 -55.88 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 110.329 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.2 t -56.34 -36.8 69.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.113 . . . . 0.0 110.401 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -76.03 -39.35 55.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.271 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -69.44 -55.34 10.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.47 -51.38 55.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.42 ' O ' ' HB2' ' A' ' 104' ' ' LEU . 3.5 t60 -55.7 -49.47 72.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.608 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -58.23 -57.65 11.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.564 ' CE2' ' HB2' ' A' ' 136' ' ' HIS . 13.9 m-85 -50.32 -40.48 48.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 110.955 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.88 -25.9 59.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.576 HD13 ' CE2' ' A' ' 85' ' ' TYR . 0.0 OUTLIER -73.65 -53.02 11.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.302 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -58.89 -23.92 61.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.519 ' OG1' ' CG2' ' A' ' 129' ' ' THR . 3.7 m -66.71 -55.24 15.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 110.415 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.403 ' CG ' ' O ' ' A' ' 104' ' ' LEU . 2.2 pt20 -55.49 -23.48 26.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.567 ' CZ ' HG21 ' A' ' 81' ' ' ILE . 17.6 m-85 -82.73 -46.83 12.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.595 ' CE2' ' OG1' ' A' ' 129' ' ' THR . 9.6 m-85 -54.27 -25.34 22.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.157 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.9 -28.18 61.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.473 ' HB2' ' CG1' ' A' ' 78' ' ' VAL . 35.8 mt-30 -81.67 -33.6 31.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 110.274 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.81 -53.69 54.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.478 ' O ' ' N ' ' A' ' 117' ' ' PRO . 8.1 m -64.61 -37.72 80.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.05 -52.49 8.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.479 ' CG ' ' HB3' ' A' ' 75' ' ' ASP . 5.9 mm-40 -62.76 -40.19 96.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 110.301 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -161.31 92.17 1.47 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.243 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.478 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.4 Cg_endo -75.0 -6.14 17.68 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.531 1.806 . . . . 0.0 111.028 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -85.98 5.88 31.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -83.02 117.75 23.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 81.0 p -57.85 -36.69 72.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.349 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.407 ' H ' ' CD2' ' A' ' 121' ' ' HIS . 9.3 m-70 -62.41 -59.53 4.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.113 . . . . 0.0 109.567 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.458 ' CD1' ' N ' ' A' ' 122' ' ' TYR . 8.6 m-30 -54.87 -33.14 61.57 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.498 ' C ' ' CD2' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -63.92 -44.15 93.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.428 ' N ' HD11 ' A' ' 123' ' ' LEU . 0.5 OUTLIER -70.72 -40.49 72.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.571 ' HB3' ' CE1' ' A' ' 109' ' ' PHE . 1.0 OUTLIER -58.16 -55.47 34.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 110.036 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 19.9 tp -66.3 -42.05 88.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.323 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.431 ' CB ' ' O ' ' A' ' 123' ' ' LEU . 1.1 tp10 -57.44 -47.68 81.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.239 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' MET . . . . . 0.479 ' CE ' HD21 ' A' ' 135' ' ' LEU . 3.1 mtp -67.0 -29.13 68.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 110.977 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.595 ' OG1' ' CE2' ' A' ' 109' ' ' PHE . 89.4 m -61.15 -18.49 58.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.406 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -51.48 -62.9 1.34 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.442 ' O ' ' CG ' ' A' ' 135' ' ' LEU . 1.6 mtmt -91.03 46.85 1.35 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . 0.568 ' N ' ' CD ' ' A' ' 133' ' ' PRO . . . -63.95 -48.33 78.54 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . 0.568 ' CD ' ' N ' ' A' ' 132' ' ' ALA . 18.3 Cg_endo -74.97 -25.88 11.5 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.521 1.8 . . . . 0.0 111.049 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 35.0 mm-40 -80.52 -47.37 14.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.259 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.559 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 10.9 mt -49.6 -40.18 37.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . 0.564 ' HB2' ' CE2' ' A' ' 102' ' ' PHE . 43.8 t-80 -66.71 -44.31 81.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.593 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . 0.533 ' O ' ' CB ' ' A' ' 141' ' ' LYS . . . -61.89 -52.97 61.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.504 ' O ' ' CG ' ' A' ' 142' ' ' GLN . 0.0 OUTLIER -69.3 -26.69 64.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.26 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.559 ' CB ' ' O ' ' A' ' 135' ' ' LEU . . . -62.09 -49.78 74.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . 0.538 ' CE2' ' HA ' ' A' ' 93' ' ' PRO . 6.7 m-85 -87.35 -40.81 14.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.533 ' CB ' ' O ' ' A' ' 137' ' ' ALA . 1.3 ttpp -55.2 -47.56 75.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . 0.504 ' CG ' ' O ' ' A' ' 138' ' ' GLU . 7.1 pt20 -68.51 127.27 32.41 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.137 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 145' ' ' GLY . . . 173.79 101.87 0.15 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.49 1.119 . . . . 0.0 111.01 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 67.95 -70.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 0.761 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 143' ' ' GLY . . . -175.13 -122.58 0.7 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.453 1.096 . . . . 0.0 111.003 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 119.82 -123.87 5.76 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -164.29 105.8 0.88 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.427 0.722 . . . . 0.0 109.991 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 -178.2 160.16 1.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 109.601 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 54.4 m-70 61.56 87.31 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.598 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -171.01 62.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.552 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -71.04 -62.64 1.32 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.56 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 74.88 -63.45 0.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.596 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.575 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 124.03 8.32 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.488 1.783 . . . . 0.0 110.974 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' -1' ' ' GLY . 0.1 OUTLIER -175.92 91.97 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' -2' ' ' LEU . . . -37.96 128.67 1.56 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.537 1.148 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.5 -33.99 58.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 0.782 . . . . 0.0 110.02 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mtp 47.4 -174.52 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 110.981 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 71.56 -61.59 0.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 43.8 p -132.3 127.53 35.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 110.389 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -164.61 151.14 10.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.335 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.537 ' O ' ' CB ' ' A' ' 6' ' ' GLU . 44.6 m -93.33 7.35 44.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 110.416 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.537 ' CB ' ' O ' ' A' ' 5' ' ' THR . 0.5 OUTLIER 89.35 -26.57 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.416 ' N ' ' HG2' ' A' ' 6' ' ' GLU . 22.0 m-85 -62.53 -54.93 32.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -49.48 -39.76 34.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.317 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.0 ttm180 -68.83 -34.62 75.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.479 ' O ' ' CG ' ' A' ' 14' ' ' GLU . 25.1 mt -64.96 -34.75 72.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.8 mt -68.05 -38.16 82.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.45 ' HG ' ' N ' ' A' ' 13' ' ' PHE . 0.1 OUTLIER -61.32 -48.84 79.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.334 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.568 ' CE2' ' HB3' ' A' ' 43' ' ' GLU . 14.2 m-85 -63.99 -36.47 84.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.479 ' CG ' ' O ' ' A' ' 10' ' ' ILE . 2.3 mm-40 -57.45 -55.61 32.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 110.285 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.452 ' HG3' ' N ' ' A' ' 16' ' ' ILE . 8.6 pt20 -56.74 -29.8 62.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.32 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.452 ' N ' ' HG3' ' A' ' 15' ' ' GLN . 50.6 mt -71.4 -54.79 16.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.342 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 21' ' ' GLU . 4.4 ttt180 -56.46 -51.79 67.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 110.317 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.433 ' O ' ' ND2' ' A' ' 22' ' ' ASN . 9.3 tt0 -49.2 -48.52 45.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.307 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.9 -54.49 11.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.426 ' HB2' ' O ' ' A' ' 16' ' ' ILE . . . -49.6 -36.82 25.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.549 ' HG3' ' CZ2' ' A' ' 37' ' ' TRP . 3.1 tt0 -66.38 -40.6 89.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.433 ' ND2' ' O ' ' A' ' 18' ' ' GLN . 1.5 m120 -73.38 -25.96 60.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.495 ' CG2' ' OD2' ' A' ' 30' ' ' ASP . 46.3 m -64.75 -22.89 67.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.383 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -63.05 -63.7 1.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 111.019 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -23.39 63.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.86 -30.04 35.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 0.0 110.024 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.425 ' O ' ' CG ' ' A' ' 30' ' ' ASP . 0.8 OUTLIER -169.78 94.4 0.51 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -7.88 19.59 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.495 1.787 . . . . 0.0 111.002 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 12.3 mt -91.95 3.1 55.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.495 ' OD2' ' CG2' ' A' ' 23' ' ' THR . 38.1 p-10 -81.72 98.4 8.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.95 -51.9 11.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.463 ' HA ' ' CE ' ' A' ' 74' ' ' LYS . 26.2 t70 -47.89 -56.28 7.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.439 ' CG ' HG23 ' A' ' 23' ' ' THR . 3.9 m120 -59.57 -35.67 74.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.497 ' CD2' ' HG3' ' A' ' 63' ' ' LYS . 0.9 OUTLIER -60.27 -49.32 78.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 39.4 m -58.38 -37.85 76.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.38 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -70.47 -47.12 62.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.315 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.588 ' CE3' ' HG2' ' A' ' 63' ' ' LYS . 16.3 t90 -54.23 -26.93 31.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 108.018 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.53 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -86.82 -56.01 2.3 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.521 1.138 . . . . 0.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -46.33 -39.92 10.29 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.451 ' CG1' ' N ' ' A' ' 41' ' ' LEU . 3.8 p -67.41 -48.65 76.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.51 0.771 . . . . 0.0 109.268 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.5 ' O ' ' CE ' ' A' ' 56' ' ' MET . 20.6 mt -48.75 -49.03 40.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.6 mt -58.03 -45.58 86.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 109.262 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.568 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 7.5 mm-40 -55.45 -53.91 50.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 110.295 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.412 ' CB ' ' HE2' ' A' ' 56' ' ' MET . 34.2 mt -61.66 -38.18 86.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.37 -15.11 22.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.97 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.596 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 3.3 tt0 -67.94 -8.23 35.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.262 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.596 ' CZ ' ' HB3' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -158.21 66.38 0.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 110.974 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.635 ' O ' ' C ' ' A' ' 49' ' ' SER . 28.3 m-70 -157.12 122.17 4.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.627 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.635 ' C ' ' O ' ' A' ' 48' ' ' HIS . 20.2 m -17.11 126.48 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.021 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.436 HG22 ' CD ' ' A' ' 54' ' ' LYS . 0.3 OUTLIER -46.64 -45.84 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 41.6 t -47.08 -50.65 19.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.034 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -77.33 -40.13 45.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -46.77 -54.6 9.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.436 ' CD ' HG22 ' A' ' 50' ' ' ILE . 0.5 OUTLIER -51.69 -58.21 7.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 -50.6 -44.82 57.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.341 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.5 ' CE ' ' O ' ' A' ' 41' ' ' LEU . 2.2 ttp -64.74 -34.22 77.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 111.018 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 40.2 mt -73.06 -52.5 21.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -46.89 -55.05 8.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.314 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.446 ' HG2' ' N ' ' A' ' 60' ' ' ALA . 3.1 pt-20 -59.15 -37.53 77.54 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.512 1.133 . . . . 0.0 110.281 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.446 ' N ' ' HG2' ' A' ' 59' ' ' GLU . . . -59.9 -28.53 67.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.556 HG12 ' CE1' ' A' ' 85' ' ' TYR . 1.1 mt -78.16 -54.5 12.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 42.3 p -48.99 -29.27 4.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.39 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.588 ' HG2' ' CE3' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -73.12 -47.48 43.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.27 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.582 ' CZ ' ' HB3' ' A' ' 80' ' ' CYS . 21.9 m-85 -56.37 -38.46 71.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 110.986 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -55.96 -51.13 68.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.323 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -61.43 -37.96 85.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.269 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.35 -42.5 99.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 19.7 mt -62.88 -29.26 70.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 67.4 mt -68.87 -42.12 77.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 6.0 mt -65.15 -42.77 95.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.345 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -154.52 116.14 2.49 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 -5.5 16.86 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.488 1.783 . . . . 0.0 110.984 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 75' ' ' ASP . 9.6 mmmm -82.8 -4.28 57.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.463 ' CE ' ' HA ' ' A' ' 32' ' ' ASP . 3.9 tptp -68.08 70.46 0.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.256 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.6 OUTLIER -52.09 -36.32 50.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.512 ' HG3' ' CE3' ' A' ' 79' ' ' TRP . 30.8 tt0 -62.22 -49.32 76.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.147 . . . . 0.0 110.334 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.47 -32.24 38.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.361 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.462 ' CG1' ' HB2' ' A' ' 111' ' ' GLN . 25.0 t -74.46 -53.26 17.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.349 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.512 ' CE3' ' HG3' ' A' ' 76' ' ' GLU . 0.4 OUTLIER -58.99 -47.35 85.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 107.969 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.582 ' HB3' ' CZ ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -51.01 -50.42 58.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 108.291 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.491 HG22 ' CZ ' ' A' ' 108' ' ' PHE . 45.6 mt -51.9 -45.4 39.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.428 ' CA ' ' HB2' ' A' ' 105' ' ' ALA . . . -64.83 -40.82 97.6 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.488 1.117 . . . . 0.0 111.026 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -64.4 -37.0 86.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 0.757 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.44 ' HB3' ' CD1' ' A' ' 61' ' ' ILE . . . -66.01 -55.03 18.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.556 ' CE1' HG12 ' A' ' 61' ' ' ILE . 18.8 m-30 -54.2 -45.59 72.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 0.0 110.978 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.522 HG23 ' CE1' ' A' ' 102' ' ' PHE . 25.7 m -57.58 -50.88 71.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.393 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 16.9 t -61.95 -51.22 69.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.004 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -56.36 -31.58 63.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 110.995 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.415 ' HB1' ' CE2' ' A' ' 102' ' ' PHE . . . -63.85 -50.81 67.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.437 ' O ' ' CE1' ' A' ' 140' ' ' TYR . 39.8 m-85 -53.73 -25.06 16.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 111.022 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.434 ' CD2' ' CG1' ' A' ' 50' ' ' ILE . 19.0 mt -89.7 -19.93 24.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.441 ' O ' ' NE2' ' A' ' 136' ' ' HIS . 1.0 OUTLIER -92.2 118.05 67.96 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 110.361 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.536 ' HA ' ' CE2' ' A' ' 140' ' ' TYR . 18.3 Cg_endo -74.97 -23.95 13.36 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.485 1.781 . . . . 0.0 111.005 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.45 84.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 93' ' ' PRO . 47.4 mt-10 -38.71 -47.69 1.39 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 110.316 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.2 m -52.87 -54.7 30.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 110.355 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -66.62 -50.22 63.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.468 ' HB3' ' CD2' ' A' ' 136' ' ' HIS . . . -53.06 -53.32 51.96 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.507 1.13 . . . . 0.0 109.306 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -59.52 -50.01 75.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -48.74 -49.0 40.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.56 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -57.11 -56.26 24.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.522 ' CE1' HG23 ' A' ' 86' ' ' THR . 8.1 m-85 -51.01 -41.84 60.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 111.005 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.411 ' O ' ' HB ' ' A' ' 106' ' ' THR . 0.4 OUTLIER -74.17 -19.2 60.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -80.51 -49.75 10.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.428 ' HB2' ' CA ' ' A' ' 82' ' ' GLY . . . -54.47 -24.16 19.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.411 ' HB ' ' O ' ' A' ' 103' ' ' ASP . 1.8 m -59.25 -54.97 40.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.41 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.434 ' HG3' ' N ' ' A' ' 108' ' ' PHE . 0.9 OUTLIER -58.37 -23.22 56.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.273 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.491 ' CZ ' HG22 ' A' ' 81' ' ' ILE . 8.0 m-85 -82.93 -47.08 12.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 110.964 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.415 ' CZ ' ' HB2' ' A' ' 105' ' ' ALA . 22.1 m-85 -53.25 -38.07 62.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 110.989 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -55.09 -32.28 61.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.462 ' HB2' ' CG1' ' A' ' 78' ' ' VAL . 59.8 mt-30 -76.99 -40.47 46.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.326 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.57 -55.04 26.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.488 ' O ' ' N ' ' A' ' 117' ' ' PRO . 12.1 m -65.9 -33.23 62.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.279 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.22 -44.33 7.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 109.249 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.417 ' C ' ' HG2' ' A' ' 116' ' ' GLN . 17.7 mm-40 -74.89 -44.06 50.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 110.316 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.417 ' HG2' ' C ' ' A' ' 115' ' ' GLU . 1.0 OUTLIER -139.13 81.96 20.3 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.264 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.488 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.2 Cg_endo -74.95 -1.05 10.7 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.478 1.778 . . . . 0.0 110.972 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -105.72 -12.08 16.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -61.57 129.93 43.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 73.8 p -56.92 -53.72 54.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.405 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.444 ' H ' ' CD2' ' A' ' 121' ' ' HIS . 9.7 m-70 -54.46 -60.18 3.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.576 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 7.6 m-30 -53.65 -24.9 15.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 0.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.555 ' C ' ' CD2' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -75.04 -50.14 17.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.434 ' N ' HD11 ' A' ' 123' ' ' LEU . 7.6 tptt -60.82 -45.65 93.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.407 ' OG ' ' O ' ' A' ' 121' ' ' HIS . 0.0 OUTLIER -55.64 -40.26 71.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.027 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.483 ' O ' ' OG1' ' A' ' 129' ' ' THR . 48.3 tp -73.28 -56.99 4.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -51.07 -30.55 16.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.342 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.85 -27.32 29.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.483 ' OG1' ' O ' ' A' ' 126' ' ' LEU . 71.3 p -67.93 -23.42 65.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.428 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -46.79 -56.99 5.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 11.0 mtmm -111.56 47.27 1.04 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . 0.481 ' CB ' ' HD3' ' A' ' 133' ' ' PRO . . . -62.98 -55.21 39.72 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . 0.481 ' HD3' ' CB ' ' A' ' 132' ' ' ALA . 18.3 Cg_endo -75.03 -22.04 15.18 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.504 1.792 . . . . 0.0 111.05 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . 0.457 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 69.1 tp60 -80.33 -50.93 9.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 110.269 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.539 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 45.6 mt -49.03 -40.97 33.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . 0.468 ' CD2' ' HB3' ' A' ' 98' ' ' ALA . 45.8 t-80 -68.61 -44.72 73.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 109.636 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . 0.501 ' O ' ' CB ' ' A' ' 141' ' ' LYS . . . -61.81 -51.82 66.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.486 ' CG ' ' HA ' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -69.19 -27.09 65.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.271 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.539 ' CB ' ' O ' ' A' ' 135' ' ' LEU . . . -63.68 -49.04 74.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . 0.536 ' CE2' ' HA ' ' A' ' 93' ' ' PRO . 5.6 m-85 -86.0 -39.2 17.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.501 ' CB ' ' O ' ' A' ' 137' ' ' ALA . 0.1 OUTLIER -63.64 -47.94 79.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.263 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . 0.448 ' CB ' ' O ' ' A' ' 138' ' ' GLU . 0.0 OUTLIER -85.42 130.39 34.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.297 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -45.51 122.0 5.25 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 4.0 tp -168.31 -63.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 0.753 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -111.1 -176.69 20.43 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.438 1.086 . . . . 0.0 110.965 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -92.11 148.12 19.03 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.95 170.43 4.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 0.74 . . . . 0.0 110.026 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 66.05 142.6 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.591 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -121.33 -61.94 1.48 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.623 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 69.01 103.12 0.06 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 109.636 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 10.3 p-80 -167.87 143.01 3.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.092 . . . . 0.0 109.562 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 3.6 p-80 -143.38 146.4 33.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.605 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.622 -179.944 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 109.54 2.95 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.554 1.818 . . . . 0.0 111.034 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -156.14 -62.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -174.46 58.36 0.13 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.518 1.137 . . . . 0.0 111.009 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 5.7 t -76.74 -24.59 53.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 0.781 . . . . 0.0 110.008 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.37 137.68 38.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 111.001 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.548 ' O ' ' CB ' ' A' ' 3' ' ' THR . 0.4 OUTLIER -173.8 -61.33 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 109.286 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.548 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.6 OUTLIER 86.0 161.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 110.41 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.499 ' O ' ' CB ' ' A' ' 5' ' ' THR . 0.1 OUTLIER 178.38 113.09 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.315 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.532 ' O ' ' CB ' ' A' ' 6' ' ' GLU . 2.0 m 82.06 -5.36 1.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 0.0 110.421 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.598 ' OE2' ' CD2' ' A' ' 47' ' ' PHE . 1.3 pt-20 88.36 -35.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.457 ' N ' ' HG2' ' A' ' 6' ' ' GLU . 17.8 m-30 -49.74 -53.54 24.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 110.973 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.42 -40.89 19.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.256 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 -73.26 -35.89 66.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.09 . . . . 0.0 110.283 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.564 ' CG2' ' CD2' ' A' ' 44' ' ' LEU . 54.6 mt -59.53 -34.6 55.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.9 mt -63.77 -39.93 95.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.322 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.571 ' CD1' ' CD1' ' A' ' 16' ' ' ILE . 0.2 OUTLIER -58.35 -48.66 79.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.457 ' CZ ' ' CD ' ' A' ' 43' ' ' GLU . 20.3 m-85 -63.83 -27.36 69.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.984 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -67.17 -57.9 5.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.331 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.461 ' CG ' ' O ' ' A' ' 12' ' ' LEU . 6.6 pt20 -50.96 -35.27 32.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.323 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.571 ' CD1' ' CD1' ' A' ' 12' ' ' LEU . 18.7 mt -71.22 -52.58 25.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.6 ttt180 -55.36 -32.44 62.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 110.286 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.402 ' O ' ' HB3' ' A' ' 22' ' ' ASN . 13.7 tp60 -69.17 -53.16 21.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.297 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.497 ' O ' ' CB ' ' A' ' 23' ' ' THR . 0.2 OUTLIER -69.44 -29.77 67.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.61 -45.81 50.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.579 ' HG3' ' CZ2' ' A' ' 37' ' ' TRP . 18.0 tt0 -66.64 -45.88 77.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.326 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.486 ' OD1' ' O ' ' A' ' 19' ' ' ASP . 0.2 OUTLIER -66.3 -39.76 89.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.497 ' CB ' ' O ' ' A' ' 19' ' ' ASP . 1.3 m -56.05 -23.29 32.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.393 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -55.95 -60.81 2.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.985 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.426 ' CD ' ' O ' ' A' ' 22' ' ' ASN . 0.0 OUTLIER -56.76 -26.49 57.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.332 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.53 -35.65 73.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.037 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.468 ' O ' ' CG ' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -169.4 96.2 0.51 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -0.16 9.61 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.489 1.784 . . . . 0.0 110.999 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 11.8 mt -101.98 13.51 34.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.474 ' O ' ' CB ' ' A' ' 34' ' ' LEU . 46.6 p30 -90.86 98.29 11.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.418 ' HB2' ' CG2' ' A' ' 70' ' ' ILE . . . -71.83 -27.04 62.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.327 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -71.42 -52.16 20.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.453 ' CB ' ' OD2' ' A' ' 30' ' ' ASP . 0.4 OUTLIER -71.11 -37.56 72.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.495 ' HG ' ' CB ' ' A' ' 67' ' ' ALA . 3.4 tp -61.3 -49.34 77.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.0 m -62.91 -36.58 83.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.387 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.418 ' NE ' HG23 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -70.51 -44.51 67.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 110.308 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.579 ' CZ2' ' HG3' ' A' ' 21' ' ' GLU . 12.8 t90 -52.29 -28.07 17.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 108.003 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.553 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -85.74 -50.36 3.99 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.512 1.132 . . . . 0.0 111.025 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -42.68 -44.59 5.46 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.431 ' CG2' ' O ' ' A' ' 13' ' ' PHE . 4.6 p -67.34 -47.66 80.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.771 . . . . 0.0 109.315 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.473 ' CD1' ' OE2' ' A' ' 59' ' ' GLU . 15.2 mt -49.53 -43.67 45.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.0 mt -61.72 -37.21 83.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.457 ' CD ' ' CZ ' ' A' ' 13' ' ' PHE . 5.1 mm-40 -65.73 -57.06 8.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 110.306 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.564 ' CD2' ' CG2' ' A' ' 10' ' ' ILE . 48.1 mt -62.07 -31.31 71.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 31.3 m -53.76 -18.86 3.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 110.035 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.649 ' HB2' ' CE1' ' A' ' 47' ' ' PHE . 42.4 mt-30 -67.8 -5.56 16.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.303 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.649 ' CE1' ' HB2' ' A' ' 46' ' ' GLN . 1.9 m-85 -157.47 -137.51 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.464 ' O ' ' CB ' ' A' ' 49' ' ' SER . 2.9 m-70 58.54 16.0 3.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.601 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' A' ' 48' ' ' HIS . 3.6 t 83.81 134.59 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.997 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.457 HG21 ' CD ' ' A' ' 54' ' ' LYS . 0.2 OUTLIER -54.74 -39.94 49.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 37.6 t -52.57 -57.55 9.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.073 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.401 ' HB2' ' O ' ' A' ' 48' ' ' HIS . 0.2 OUTLIER -73.4 -42.68 61.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.441 ' HB2' ' HA ' ' A' ' 50' ' ' ILE . . . -46.17 -52.43 12.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.457 ' CD ' HG21 ' A' ' 50' ' ' ILE . 37.3 mtpt -53.87 -56.71 15.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 27.2 mm100 -51.07 -42.05 60.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.278 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.4 mtm -62.18 -34.48 76.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 110.99 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.477 ' CG2' ' HB2' ' A' ' 88' ' ' PHE . 43.9 mt -72.73 -47.49 49.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 109.338 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -48.4 -54.05 15.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.473 ' OE2' ' CD1' ' A' ' 41' ' ' LEU . 5.4 pt-20 -65.64 -34.34 77.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 0.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.432 ' O ' ' CD2' ' A' ' 64' ' ' PHE . . . -59.56 -34.16 72.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.426 HG23 ' N ' ' A' ' 62' ' ' THR . 0.5 OUTLIER -74.62 -57.68 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.426 ' N ' HG23 ' A' ' 61' ' ' ILE . 50.1 p -50.89 -29.81 12.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 110.393 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.578 ' HE3' ' CH2' ' A' ' 37' ' ' TRP . 0.3 OUTLIER -68.83 -47.5 65.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.595 ' CZ ' ' HB3' ' A' ' 80' ' ' CYS . 23.2 m-85 -59.98 -40.09 87.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.443 1.089 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -49.76 -55.09 15.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.274 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -63.5 -36.06 82.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 110.312 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.495 ' CB ' ' HG ' ' A' ' 34' ' ' LEU . . . -63.06 -39.86 95.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.5 mt -63.54 -30.54 71.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.07 -35.15 79.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.418 ' CG2' ' HB2' ' A' ' 31' ' ' ALA . 4.5 mt -74.95 -42.72 46.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -144.43 105.11 4.67 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.245 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -19.06 18.19 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.493 1.786 . . . . 0.0 110.961 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -82.63 1.87 36.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.8 tptp -74.07 76.66 1.73 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.477 ' HB3' ' CG ' ' A' ' 115' ' ' GLU . 0.5 OUTLIER -51.95 -26.57 10.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.475 ' HG2' ' CE3' ' A' ' 79' ' ' TRP . 2.2 tt0 -63.77 -53.66 47.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.89 -32.57 45.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.235 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.421 HG13 ' NE2' ' A' ' 111' ' ' GLN . 55.7 t -74.52 -52.9 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.534 ' CZ3' ' SG ' ' A' ' 80' ' ' CYS . 0.4 OUTLIER -59.08 -50.39 74.23 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.595 ' HB3' ' CZ ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -50.42 -52.71 35.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 108.305 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.629 ' CG2' ' CZ ' ' A' ' 108' ' ' PHE . 44.7 mt -51.8 -33.14 15.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.436 ' CA ' ' HB2' ' A' ' 105' ' ' ALA . . . -76.95 -45.14 12.38 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.502 1.127 . . . . 0.0 111.021 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -64.57 -31.35 72.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 0.741 . . . . 0.0 109.301 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.14 -55.5 12.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.441 ' CE2' HG22 ' A' ' 81' ' ' ILE . 6.3 m-85 -56.46 -40.08 74.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 111.014 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 88.2 m -58.9 -50.88 72.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.452 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 48.2 m -62.41 -51.56 67.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.976 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.477 ' HB2' ' CG2' ' A' ' 57' ' ' ILE . 40.0 t80 -53.3 -33.81 54.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 111.037 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.94 -50.97 66.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.401 ' O ' ' CE1' ' A' ' 140' ' ' TYR . 39.5 m-85 -55.22 -18.08 5.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 111.049 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 43.3 mt -95.18 -20.57 19.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -95.29 117.82 66.57 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.131 . . . . 0.0 110.407 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.402 ' O ' ' N ' ' A' ' 95' ' ' GLU . 18.4 Cg_endo -74.98 -25.09 12.23 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.47 1.774 . . . . 0.0 111.012 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.45 88.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 93' ' ' PRO . 44.8 mt-10 -40.12 -47.69 2.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.264 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.3 m -52.9 -57.71 9.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.409 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -65.19 -38.1 89.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 110.253 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.23 -53.49 56.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.34 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.87 -51.8 68.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.443 ' CD2' ' C ' ' A' ' 100' ' ' HIS . 1.4 t60 -48.84 -39.8 26.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 109.545 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -66.98 -54.97 16.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.453 ' CD1' ' HB1' ' A' ' 132' ' ' ALA . 34.1 m-85 -50.96 -40.53 57.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -73.85 -20.0 60.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.406 ' O ' ' CG ' ' A' ' 107' ' ' GLN . 0.0 OUTLIER -78.52 -49.23 13.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.473 ' HB1' ' CE2' ' A' ' 109' ' ' PHE . . . -58.56 -24.3 60.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.8 m -60.78 -55.42 33.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.43 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.45 ' HG3' ' N ' ' A' ' 108' ' ' PHE . 0.0 OUTLIER -53.5 -26.27 20.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.283 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.629 ' CZ ' ' CG2' ' A' ' 81' ' ' ILE . 33.3 m-85 -84.07 -47.76 10.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 110.961 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.473 ' CE2' ' HB1' ' A' ' 105' ' ' ALA . 19.6 m-85 -55.93 -51.33 68.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.975 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.422 ' NE2' HG23 ' A' ' 113' ' ' VAL . 0.1 OUTLIER -65.32 -25.95 67.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.127 . . . . 0.0 110.269 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.421 ' NE2' HG13 ' A' ' 78' ' ' VAL . 2.3 tt0 -81.79 -37.68 26.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.328 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.59 -54.4 28.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.492 ' CG1' ' HB3' ' A' ' 122' ' ' TYR . 6.4 m -55.91 -36.53 44.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -44.72 -34.98 2.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.477 ' CG ' ' HB3' ' A' ' 75' ' ' ASP . 31.9 mm-40 -75.04 -40.67 60.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.082 . . . . 0.0 110.339 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.483 ' CG ' ' O ' ' A' ' 116' ' ' GLN . 1.8 tt0 -157.05 86.72 2.78 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.254 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -0.89 10.54 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.526 1.803 . . . . 0.0 111.005 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.62 -0.75 55.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -87.07 118.7 26.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 45.0 p -54.63 -52.7 61.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.364 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.442 ' H ' ' CD2' ' A' ' 121' ' ' HIS . 9.9 m-70 -50.94 -47.41 61.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 109.591 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.492 ' HB3' ' CG1' ' A' ' 113' ' ' VAL . 7.2 m-30 -62.77 -24.59 67.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.975 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.539 ' C ' ' CD2' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -76.97 -51.71 10.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -54.16 -41.66 68.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.2 m -55.82 -40.18 72.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.999 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.439 ' CD2' ' HB3' ' A' ' 109' ' ' PHE . 0.2 OUTLIER -68.65 -43.09 76.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.26 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 130' ' ' ALA . 1.5 tp10 -68.09 -41.72 81.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 110.249 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.4 -31.95 4.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 111.037 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.403 ' OG1' ' O ' ' A' ' 126' ' ' LEU . 10.2 p -68.58 -30.76 69.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.409 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 127' ' ' GLU . . . -40.72 -43.24 1.93 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.477 ' O ' ' CG ' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -122.16 47.56 1.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . 0.51 ' N ' ' CD ' ' A' ' 133' ' ' PRO . . . -64.29 -51.75 59.1 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . 0.51 ' CD ' ' N ' ' A' ' 132' ' ' ALA . 18.3 Cg_endo -74.99 -24.14 13.12 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.494 1.786 . . . . 0.0 110.978 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . 0.48 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 30.7 mm-40 -80.37 -50.12 10.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 0.0 110.248 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.575 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 11.8 mt -48.31 -44.16 33.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . 0.422 ' HB2' ' CE2' ' A' ' 102' ' ' PHE . 16.0 t-80 -66.8 -44.19 81.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.586 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . 0.427 ' O ' ' HB2' ' A' ' 141' ' ' LYS . . . -61.88 -53.03 61.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.329 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.48 ' CG ' ' O ' ' A' ' 134' ' ' GLN . 0.1 OUTLIER -68.16 -28.43 67.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 110.289 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.575 ' CB ' ' O ' ' A' ' 135' ' ' LEU . . . -66.85 -41.04 88.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . 0.401 ' CE1' ' O ' ' A' ' 90' ' ' PHE . 4.0 m-85 -87.71 -31.09 19.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.427 ' HB2' ' O ' ' A' ' 137' ' ' ALA . 0.0 OUTLIER -70.88 -48.56 53.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.336 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -83.33 103.54 12.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -91.78 -60.34 1.28 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.52 1.138 . . . . 0.0 111.021 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 7.1 mt -65.82 118.06 9.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 0.758 . . . . 0.0 109.29 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -147.81 -77.38 0.02 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.53 1.144 . . . . 0.0 110.965 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -90.98 128.2 9.2 Favored Glycine 0 CA--C 1.531 1.043 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 87.7 p -89.92 73.88 7.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 0.746 . . . . 0.0 109.989 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 40.6 t-80 -170.2 159.76 7.54 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 109.582 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -49.3 99.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.63 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -129.36 119.91 24.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.616 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -78.39 72.0 4.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 109.576 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -112.6 114.47 27.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.615 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 28.5 t-80 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.603 -179.96 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 138.62 23.22 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.504 1.792 . . . . 0.0 110.985 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -166.84 116.71 0.89 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 109.255 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 152.74 175.41 24.21 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 8.8 m -76.83 -36.98 56.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 0.754 . . . . 0.0 110.011 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER 56.17 165.08 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 111.026 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -178.08 -60.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.2 t -81.69 165.1 21.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.407 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -154.54 158.52 39.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.275 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.483 ' O ' ' CB ' ' A' ' 6' ' ' GLU . 9.7 m -144.38 18.78 1.71 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 0.0 110.445 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.483 ' CB ' ' O ' ' A' ' 5' ' ' THR . 0.7 OUTLIER 85.06 -45.54 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 110.289 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.444 ' N ' ' HG2' ' A' ' 6' ' ' GLU . 12.9 m-85 -46.21 -54.41 8.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -48.05 -41.8 26.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 -71.56 -33.94 69.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 110.295 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.581 HG12 ' CD2' ' A' ' 47' ' ' PHE . 10.7 mt -60.15 -45.41 95.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.418 1.074 . . . . 0.0 109.275 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.3 mt -57.86 -37.04 73.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.432 ' HG ' ' N ' ' A' ' 13' ' ' PHE . 0.1 OUTLIER -60.16 -52.29 65.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.351 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.432 ' N ' ' HG ' ' A' ' 12' ' ' LEU . 20.2 m-85 -63.95 -28.13 69.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.972 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -65.71 -59.85 3.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.508 ' HG3' ' N ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -50.8 -30.78 15.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 110.291 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.508 ' N ' ' HG3' ' A' ' 15' ' ' GLN . 23.9 mt -71.49 -52.99 22.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.4 ttt180 -55.41 -54.11 47.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.316 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -50.59 -55.03 18.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.108 . . . . 0.0 110.313 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.553 ' HA ' ' OD1' ' A' ' 22' ' ' ASN . 0.2 OUTLIER -57.45 -43.15 83.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.534 ' HB2' ' CG ' ' A' ' 37' ' ' TRP . . . -50.6 -43.19 56.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.644 ' HG2' ' CZ2' ' A' ' 37' ' ' TRP . 2.0 mt-10 -66.74 -39.43 87.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.321 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.553 ' OD1' ' HA ' ' A' ' 19' ' ' ASP . 0.1 OUTLIER -73.99 -36.38 64.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.445 ' N ' ' O ' ' A' ' 19' ' ' ASP . 0.5 OUTLIER -63.62 -23.61 67.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.158 . . . . 0.0 110.402 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.419 ' CD1' ' HZ3' ' A' ' 37' ' ' TRP . 0.1 OUTLIER -54.81 -60.57 3.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 110.993 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.03 -24.38 67.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.39 -32.46 60.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.982 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.506 ' O ' ' CG ' ' A' ' 30' ' ' ASP . 0.6 OUTLIER -168.97 82.13 0.69 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 24.16 0.39 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.467 1.772 . . . . 0.0 110.937 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.496 ' H ' ' C ' ' A' ' 27' ' ' ASN . 12.4 mt -132.72 13.11 4.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.506 ' CG ' ' O ' ' A' ' 27' ' ' ASN . 5.6 p30 -90.79 99.78 12.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.107 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.79 -23.93 61.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -69.95 -54.86 11.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -71.17 -35.12 71.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.495 ' CD1' ' HG2' ' A' ' 63' ' ' LYS . 0.6 OUTLIER -63.95 -52.57 59.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.1 m -58.2 -36.37 73.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.575 1.172 . . . . 0.0 110.357 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.36 -32.77 70.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.44 1.087 . . . . 0.0 110.3 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.644 ' CZ2' ' HG2' ' A' ' 21' ' ' GLU . 6.6 t90 -57.63 -27.05 62.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 107.996 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.583 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -84.26 -57.42 2.36 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.533 1.146 . . . . 0.0 111.032 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -42.55 -44.23 5.21 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.401 HG23 ' CD1' ' A' ' 13' ' ' PHE . 9.5 p -67.35 -43.4 87.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.544 0.791 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.444 HD12 ' CG ' ' A' ' 59' ' ' GLU . 17.1 mt -55.8 -49.45 73.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.118 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.4 mt -54.89 -39.88 69.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -62.37 -58.04 9.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.282 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.473 ' CB ' ' HE1' ' A' ' 56' ' ' MET . 25.9 mt -61.99 -25.07 67.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.98 -42.97 73.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 110.005 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.421 ' HG2' ' N ' ' A' ' 47' ' ' PHE . 3.0 pt20 -67.81 -36.66 80.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.299 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.581 ' CD2' HG12 ' A' ' 10' ' ' ILE . 22.8 m-85 -75.72 -28.66 58.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 111.043 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 29.9 m-70 -90.18 142.47 27.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.594 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 53' ' ' ALA . 83.0 p -49.52 160.16 0.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.978 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.48 HG13 ' CD2' ' A' ' 91' ' ' LEU . 1.0 OUTLIER -51.5 -51.92 22.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.427 ' N ' HG23 ' A' ' 50' ' ' ILE . 21.7 t -44.59 -56.5 4.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 110.013 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.09 -28.9 64.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 49' ' ' SER . . . -58.56 -54.42 47.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.417 ' CD ' HG21 ' A' ' 50' ' ' ILE . 0.4 OUTLIER -51.49 -57.92 7.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -53.96 -43.2 69.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.303 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.473 ' HE1' ' CB ' ' A' ' 44' ' ' LEU . 2.4 mmm -63.8 -36.94 85.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.984 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.422 ' CG2' ' HB2' ' A' ' 88' ' ' PHE . 9.6 mt -72.83 -50.69 31.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.435 ' NE2' ' CE2' ' A' ' 88' ' ' PHE . 1.5 mt-30 -45.98 -54.96 7.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.314 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.444 ' CG ' HD12 ' A' ' 41' ' ' LEU . 3.9 pt-20 -63.6 -35.07 79.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.158 . . . . 0.0 110.337 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.77 -32.51 70.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.446 ' CD1' ' HB2' ' A' ' 84' ' ' ALA . 0.6 OUTLIER -73.43 -54.12 16.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 59' ' ' GLU . 20.4 p -49.97 -31.41 12.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.39 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.495 ' HG2' ' CD1' ' A' ' 34' ' ' LEU . 0.1 OUTLIER -66.27 -54.25 27.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 109.345 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.583 ' CE1' ' HA3' ' A' ' 38' ' ' GLY . 21.3 m-85 -56.45 -39.81 73.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.536 1.148 . . . . 0.0 110.958 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -50.14 -56.01 12.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.466 ' HG2' ' CD2' ' A' ' 34' ' ' LEU . 2.5 tt0 -65.83 -37.78 87.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.279 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.48 ' CB ' ' HG ' ' A' ' 34' ' ' LEU . . . -60.95 -38.19 84.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.1 mt -65.51 -32.62 74.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.37 -33.52 76.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.485 ' CG2' ' O ' ' A' ' 29' ' ' LEU . 4.6 mt -76.32 -38.69 33.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -147.31 105.56 3.81 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -18.12 18.98 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.477 1.778 . . . . 0.0 110.998 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.6 ptmt -82.88 1.75 37.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.52 76.69 0.57 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.273 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.09 -29.38 30.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.475 ' HG3' ' CE3' ' A' ' 79' ' ' TRP . 1.5 tp10 -67.14 -51.2 56.89 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 110.324 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -53.37 -32.23 48.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.469 ' CG1' ' HB2' ' A' ' 111' ' ' GLN . 40.7 t -74.52 -53.52 16.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.523 ' CZ3' ' SG ' ' A' ' 80' ' ' CYS . 0.4 OUTLIER -58.57 -47.56 83.85 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.574 ' HB3' ' CZ ' ' A' ' 64' ' ' PHE . 0.5 OUTLIER -50.77 -53.1 34.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 108.314 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.556 HG22 ' CE2' ' A' ' 85' ' ' TYR . 56.8 mt -51.94 -37.45 21.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.468 ' CA ' ' HB2' ' A' ' 105' ' ' ALA . . . -71.31 -44.36 52.46 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.522 1.139 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -64.56 -31.16 72.26 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.518 0.775 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.446 ' HB2' ' CD1' ' A' ' 61' ' ' ILE . . . -69.88 -55.5 9.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.556 ' CE2' HG22 ' A' ' 81' ' ' ILE . 8.7 m-85 -57.06 -44.72 83.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 26.7 m -54.97 -52.43 63.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 0.0 110.43 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.5 m -61.45 -51.52 68.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 109.975 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.435 ' CE2' ' NE2' ' A' ' 58' ' ' GLN . 43.2 t80 -53.33 -34.15 56.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.974 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.562 ' HB2' ' CE2' ' A' ' 102' ' ' PHE . . . -63.87 -49.32 73.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.331 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -55.76 -20.07 13.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 111.022 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.48 ' CD2' HG13 ' A' ' 50' ' ' ILE . 23.0 mt -94.29 -16.96 23.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.402 ' O ' ' NE2' ' A' ' 136' ' ' HIS . 0.9 OUTLIER -97.22 118.08 64.97 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.444 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.459 ' HA ' ' CE2' ' A' ' 140' ' ' TYR . 18.3 Cg_endo -74.93 -22.6 14.79 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.485 1.781 . . . . 0.0 110.987 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.81 105.96 1.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -54.96 -46.75 75.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 110.301 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.4 m -52.77 -57.99 8.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.381 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -65.25 -50.36 66.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 110.321 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -52.61 -54.2 36.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.331 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 29.8 tttt -60.43 -49.26 78.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.447 ' CD2' ' C ' ' A' ' 100' ' ' HIS . 1.4 t60 -51.99 -47.62 64.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 109.617 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.85 -47.47 65.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.565 ' CD1' ' HB1' ' A' ' 132' ' ' ALA . 1.4 m-85 -55.53 -42.31 74.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.42 -19.48 60.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.44 ' O ' ' CG ' ' A' ' 107' ' ' GLN . 0.1 OUTLIER -72.21 -48.39 43.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.344 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.468 ' HB2' ' CA ' ' A' ' 82' ' ' GLY . . . -56.91 -31.39 64.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.337 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.2 m -60.43 -56.11 25.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 110.372 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.44 ' CG ' ' O ' ' A' ' 104' ' ' LEU . 2.0 pt20 -56.75 -23.14 40.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -82.51 -48.56 10.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.474 ' CB ' HD12 ' A' ' 126' ' ' LEU . 16.1 m-85 -54.98 -19.85 7.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.955 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -74.26 -26.76 60.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 110.275 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.469 ' HB2' ' CG1' ' A' ' 78' ' ' VAL . 37.8 mt-30 -81.52 -43.76 18.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.282 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.61 -47.71 84.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.318 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 117' ' ' PRO . 5.6 m -67.88 -38.65 80.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.21 -48.43 12.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -63.99 -40.37 96.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.315 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -161.8 90.39 1.45 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.27 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.457 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.3 Cg_endo -74.97 -4.17 15.01 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.464 1.771 . . . . 0.0 111.022 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -86.76 -4.36 59.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -79.96 108.07 13.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.452 ' O ' HD13 ' A' ' 123' ' ' LEU . 1.9 t -52.96 -27.32 18.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 110.399 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -61.11 -45.53 94.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.624 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.453 ' HB3' ' CG1' ' A' ' 113' ' ' VAL . 14.8 m-30 -79.12 -36.65 40.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.536 ' C ' ' CD2' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -59.22 -44.59 92.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.435 ' N ' ' CD1' ' A' ' 123' ' ' LEU . 2.8 tptt -67.68 -47.42 69.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.434 ' HB3' ' CE1' ' A' ' 109' ' ' PHE . 0.5 OUTLIER -57.79 -49.37 76.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.999 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.474 HD12 ' CB ' ' A' ' 109' ' ' PHE . 28.5 tp -68.91 -38.13 79.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.443 ' CB ' ' O ' ' A' ' 123' ' ' LEU . 1.0 OUTLIER -66.67 -36.35 82.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 110.312 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 7.2 mmm -71.07 -41.98 70.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 111.008 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -59.32 -22.62 61.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 110.37 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -41.85 -59.85 1.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.508 ' O ' ' CG ' ' A' ' 135' ' ' LEU . 12.2 mttt -90.53 45.27 1.25 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . 0.641 ' N ' ' CD ' ' A' ' 133' ' ' PRO . . . -63.63 -44.47 80.79 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.336 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . 0.641 ' CD ' ' N ' ' A' ' 132' ' ' ALA . 18.4 Cg_endo -74.99 -29.93 7.71 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.485 1.782 . . . . 0.0 111.026 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . 0.465 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 46.1 mm-40 -80.66 -47.0 14.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 110.275 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.586 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 6.9 mt -51.04 -42.84 60.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . 0.565 ' HB2' ' CE2' ' A' ' 102' ' ' PHE . 56.8 t-80 -66.21 -44.35 84.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.603 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . 0.537 ' O ' ' CB ' ' A' ' 141' ' ' LYS . . . -61.96 -52.69 62.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.5 ' O ' ' CB ' ' A' ' 142' ' ' GLN . 0.0 OUTLIER -69.24 -26.73 64.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.293 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.586 ' CB ' ' O ' ' A' ' 135' ' ' LEU . . . -66.9 -49.66 64.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.243 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . 0.507 ' CE1' ' CD2' ' A' ' 136' ' ' HIS . 5.5 m-85 -83.34 -43.09 16.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.537 ' CB ' ' O ' ' A' ' 137' ' ' ALA . 0.0 OUTLIER -61.1 -48.08 83.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.33 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . 0.5 ' CB ' ' O ' ' A' ' 138' ' ' GLU . 0.6 OUTLIER -85.66 130.72 34.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.27 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.92 -140.72 20.36 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.48 1.112 . . . . 0.0 111.005 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.2 mt -76.64 127.11 32.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 0.771 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -140.73 -117.06 1.35 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.531 1.144 . . . . 0.0 111.003 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -123.15 178.34 16.39 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 11.3 p -121.94 -57.53 1.79 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 0.744 . . . . 0.0 110.015 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 43.5 t-80 -49.61 132.36 21.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.654 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -121.52 139.35 53.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.49 1.119 . . . . 0.0 109.63 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -146.99 145.58 29.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.164 . . . . 0.0 109.586 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -139.46 -62.65 0.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.619 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 2.2 m80 57.22 169.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 109.599 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 18.0 m170 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.617 -179.991 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -56.86 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.508 1.794 . . . . 0.0 111.024 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 2.1 mt 57.28 163.59 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 132.44 -140.39 11.78 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.482 1.114 . . . . 0.0 110.963 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 76.9 p -79.0 -24.12 43.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 0.784 . . . . 0.0 110.01 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -73.6 137.77 44.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 56.14 83.45 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.446 1.091 . . . . 0.0 109.254 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.5 p -146.15 178.1 8.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.406 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 65.73 -157.27 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.33 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.596 ' O ' ' CG ' ' A' ' 6' ' ' GLU . 12.9 m 72.74 8.12 5.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 0.0 110.395 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.596 ' CG ' ' O ' ' A' ' 5' ' ' THR . 0.0 OUTLIER 88.87 -20.8 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.408 ' O ' ' N ' ' A' ' 10' ' ' ILE . 23.3 m-85 -67.23 -55.04 15.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.97 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.07 -40.01 21.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.457 ' CG ' ' CE2' ' A' ' 13' ' ' PHE . 10.1 ttm180 -66.34 -32.95 74.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 110.251 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.578 HD11 ' CD1' ' A' ' 47' ' ' PHE . 42.8 mt -68.19 -45.17 83.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.42 1.075 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.6 mt -54.9 -38.94 68.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.268 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.496 ' CD1' ' CD1' ' A' ' 16' ' ' ILE . 0.1 OUTLIER -64.06 -48.71 75.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.523 ' CD1' HG21 ' A' ' 40' ' ' VAL . 12.5 m-85 -63.77 -28.33 69.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -66.53 -59.54 3.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 110.304 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.485 ' HG3' ' N ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -51.84 -28.47 15.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.26 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.496 ' CD1' ' CD1' ' A' ' 12' ' ' LEU . 5.3 mt -71.9 -53.3 20.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.44 -58.93 4.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 110.329 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.423 ' HG3' ' O ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -53.77 -42.31 68.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 110.274 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 23' ' ' THR . 0.2 OUTLIER -63.11 -34.14 76.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.112 . . . . 0.0 109.319 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.535 ' HB3' ' CG ' ' A' ' 37' ' ' TRP . . . -66.34 -47.97 71.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.667 ' HG2' ' CZ2' ' A' ' 37' ' ' TRP . 2.8 mt-10 -58.91 -42.65 90.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.441 ' C ' ' ND2' ' A' ' 22' ' ' ASN . 1.0 OUTLIER -75.44 -36.14 60.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.334 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 19' ' ' ASP . 2.7 m -62.18 -25.56 67.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.451 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.464 ' O ' ' CD ' ' A' ' 28' ' ' PRO . 0.1 OUTLIER -54.5 -60.85 2.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 110.979 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.429 ' CE ' ' HA ' ' A' ' 22' ' ' ASN . 0.0 OUTLIER -63.48 -28.99 70.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.61 -38.22 73.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 110.009 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' A' ' 23' ' ' THR . 1.5 t30 -169.52 84.35 0.62 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.464 ' CD ' ' O ' ' A' ' 24' ' ' TYR . 18.4 Cg_endo -74.97 -0.72 10.3 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.494 1.787 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.498 ' O ' ' CG2' ' A' ' 70' ' ' ILE . 8.3 mt -91.92 -21.99 20.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.409 ' O ' ' HB2' ' A' ' 34' ' ' LEU . 0.9 OUTLIER -66.99 97.96 0.53 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.11 . . . . 0.0 109.324 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.95 -21.93 61.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -65.6 -52.49 51.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.409 ' CG ' HG23 ' A' ' 23' ' ' THR . 0.5 OUTLIER -69.42 -34.61 74.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.266 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.513 ' CD2' ' HG3' ' A' ' 63' ' ' LYS . 0.5 OUTLIER -66.69 -35.68 80.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 0.0 109.303 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.6 m -72.78 -39.03 67.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 110.396 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.2 ptt180 -70.46 -20.14 62.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.098 . . . . 0.0 110.324 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.667 ' CZ2' ' HG2' ' A' ' 21' ' ' GLU . 6.2 t90 -67.42 -27.08 66.76 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.612 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -86.26 -60.7 1.71 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -39.58 -41.75 1.78 Allowed Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.523 HG21 ' CD1' ' A' ' 13' ' ' PHE . 5.7 p -67.4 -50.71 59.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.51 0.771 . . . . 0.0 109.253 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.457 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 45.0 mt -52.15 -42.29 63.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 24.0 mt -65.49 -35.15 80.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -65.68 -57.48 7.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.509 ' HB3' ' CD2' ' A' ' 48' ' ' HIS . 21.5 mt -52.66 -29.71 27.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.427 ' HA ' ' HB2' ' A' ' 48' ' ' HIS . 0.3 OUTLIER -56.32 -16.94 6.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 109.974 -179.939 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -68.23 -7.04 27.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 110.263 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.642 ' CG ' ' O ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -157.83 21.09 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 110.985 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.587 ' O ' ' O ' ' A' ' 49' ' ' SER . 0.4 OUTLIER -108.69 46.24 0.98 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.59 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.587 ' O ' ' O ' ' A' ' 48' ' ' HIS . 66.9 m 41.12 -173.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.994 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.473 HG22 ' CD ' ' A' ' 54' ' ' LYS . 0.2 OUTLIER -83.06 -52.82 12.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.431 ' N ' HG21 ' A' ' 50' ' ' ILE . 91.7 p -51.28 -57.23 9.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.97 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.452 ' O ' ' CG ' ' A' ' 56' ' ' MET . 0.2 OUTLIER -62.16 -32.08 72.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' A' ' 49' ' ' SER . . . -66.53 -46.16 77.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.473 ' CD ' HG22 ' A' ' 50' ' ' ILE . 38.9 mtpt -62.49 -59.15 5.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.512 ' HG3' ' N ' ' A' ' 56' ' ' MET . 0.0 OUTLIER -53.56 -36.18 61.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.276 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.544 ' SD ' ' CG ' ' A' ' 48' ' ' HIS . 64.6 mtp -71.08 -37.05 72.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 8.8 mt -71.42 -51.83 30.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.4 ' HG2' ' CE2' ' A' ' 88' ' ' PHE . 3.4 mt-30 -45.19 -54.41 6.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.449 ' OE2' ' CD1' ' A' ' 41' ' ' LEU . 4.8 pt-20 -66.48 -36.39 82.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.425 ' N ' ' HG2' ' A' ' 59' ' ' GLU . . . -58.67 -27.96 65.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.488 HD13 ' CE1' ' A' ' 85' ' ' TYR . 1.4 mt -80.1 -52.3 14.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.296 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 68.0 p -50.11 -31.65 13.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.097 . . . . 0.0 110.401 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.555 ' HE2' ' CH2' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -72.29 -45.37 60.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.612 ' CE1' ' HA3' ' A' ' 38' ' ' GLY . 19.4 m-30 -56.4 -42.84 78.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.54 1.15 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -52.93 -54.68 31.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.283 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.42 ' HA ' ' CD1' ' A' ' 69' ' ' LEU . 0.4 OUTLIER -56.47 -37.05 69.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 110.326 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.79 -44.77 88.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 16.2 mt -59.33 -33.07 70.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.42 ' CD1' ' HA ' ' A' ' 66' ' ' GLU . 0.8 OUTLIER -63.54 -40.07 96.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.344 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.498 ' CG2' ' O ' ' A' ' 29' ' ' LEU . 5.8 mt -66.72 -44.45 89.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -152.82 114.01 2.76 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -4.5 15.49 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.443 1.759 . . . . 0.0 111.004 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 75' ' ' ASP . 20.1 mmtt -82.9 -6.37 59.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -66.11 75.33 0.09 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.3 OUTLIER -55.76 -29.01 58.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 179.922 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.417 ' HG3' ' CE3' ' A' ' 79' ' ' TRP . 34.2 tt0 -68.0 -51.5 46.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.314 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.22 -32.27 35.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.451 ' CG1' ' HB2' ' A' ' 111' ' ' GLN . 36.7 t -74.59 -52.89 18.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.557 ' CZ3' ' SG ' ' A' ' 80' ' ' CYS . 0.4 OUTLIER -59.11 -50.13 75.23 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.575 ' HB3' ' CZ ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -50.66 -51.2 51.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 108.313 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.562 HG21 ' CZ ' ' A' ' 108' ' ' PHE . 35.7 mt -51.88 -33.75 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.426 ' CA ' ' HB2' ' A' ' 105' ' ' ALA . . . -75.94 -46.51 13.49 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.464 1.102 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -62.52 -29.33 70.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 0.772 . . . . 0.0 109.313 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.92 -55.43 9.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.488 ' CE1' HD13 ' A' ' 61' ' ' ILE . 12.0 m-85 -57.84 -44.28 86.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 74.7 m -54.87 -48.52 72.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.432 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.5 m -66.1 -51.62 56.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 110.006 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.411 ' CE2' ' HB3' ' A' ' 54' ' ' LYS . 41.6 t80 -54.91 -38.55 67.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 111.008 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.584 ' HB3' ' CD2' ' A' ' 102' ' ' PHE . . . -56.12 -52.6 63.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.404 ' CZ ' ' HZ ' ' A' ' 102' ' ' PHE . 39.3 m-85 -54.01 -23.86 14.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.979 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.472 ' CD2' HG13 ' A' ' 50' ' ' ILE . 22.0 mt -88.5 -20.26 25.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -97.18 118.79 64.29 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 110.383 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.506 ' HA ' ' CE2' ' A' ' 140' ' ' TYR . 18.2 Cg_endo -75.08 -26.09 11.13 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.497 1.788 . . . . 0.0 110.968 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -58.83 87.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 93' ' ' PRO . 91.5 mt-10 -40.6 -46.93 2.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.449 ' CG2' ' N ' ' A' ' 97' ' ' GLU . 13.4 t -52.64 -53.17 50.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.384 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.449 ' N ' ' CG2' ' A' ' 96' ' ' THR . 4.8 mm-40 -70.65 -49.91 42.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.295 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -52.93 -54.48 34.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.33 -51.89 67.58 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -49.21 -49.18 44.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.632 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . 0.426 ' OD1' ' CD1' ' A' ' 85' ' ' TYR . 0.5 OUTLIER -67.03 -46.89 73.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.595 ' CE2' ' HB2' ' A' ' 136' ' ' HIS . 0.9 OUTLIER -55.24 -42.75 73.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.03 -22.01 59.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.99 -45.13 62.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.143 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.426 ' HB2' ' CA ' ' A' ' 82' ' ' GLY . . . -53.23 -33.95 55.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.475 ' OG1' ' CG2' ' A' ' 129' ' ' THR . 19.8 m -61.24 -55.63 29.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 110.413 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -50.84 -27.33 7.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 110.254 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.562 ' CZ ' HG21 ' A' ' 81' ' ' ILE . 16.4 m-85 -83.27 -48.39 10.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 110.955 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -55.2 -22.34 17.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.448 1.093 . . . . 0.0 111.013 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -74.32 -25.79 59.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.28 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.451 ' HB2' ' CG1' ' A' ' 78' ' ' VAL . 36.0 mt-30 -81.74 -41.52 21.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.331 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -57.69 -48.72 78.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.138 . . . . 0.0 109.3 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 117' ' ' PRO . 4.2 m -66.77 -39.57 83.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.15 -45.91 11.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -69.67 -38.37 77.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.347 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -159.58 89.16 1.97 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 110.297 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.457 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.2 Cg_endo -75.0 -3.52 14.05 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.513 1.796 . . . . 0.0 111.009 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -87.3 -12.07 47.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -65.16 111.08 2.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 72.0 p -57.46 -23.81 51.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.399 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.448 ' H ' ' CD2' ' A' ' 121' ' ' HIS . 3.9 m-70 -70.28 -58.61 3.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.564 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.408 ' N ' ' CD1' ' A' ' 122' ' ' TYR . 12.4 m-30 -57.91 -34.62 70.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.5 ' C ' ' CD2' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -59.31 -50.33 74.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.431 1.082 . . . . 0.0 109.299 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.409 ' N ' HD12 ' A' ' 123' ' ' LEU . 13.4 tptt -62.63 -43.14 99.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.99 -48.51 75.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.064 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 32.6 tp -70.79 -44.88 65.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.66 -47.09 70.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 110.331 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' MET . . . . . 0.406 ' CE ' HD12 ' A' ' 135' ' ' LEU . 2.2 mmm -67.62 -39.3 84.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 110.972 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.475 ' CG2' ' OG1' ' A' ' 106' ' ' THR . 0.3 OUTLIER -60.47 -19.63 57.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.403 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -47.08 -49.85 20.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.418 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 2.8 mtmt -101.89 42.93 1.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . 0.544 ' N ' ' CD ' ' A' ' 133' ' ' PRO . . . -59.64 -50.31 87.59 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . 0.544 ' CD ' ' N ' ' A' ' 132' ' ' ALA . 18.3 Cg_endo -74.99 -24.15 13.12 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.504 1.792 . . . . 0.0 111.027 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 42.3 tp60 -80.18 -47.24 14.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 110.314 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.589 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 16.8 mt -54.38 -37.93 65.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . 0.595 ' HB2' ' CE2' ' A' ' 102' ' ' PHE . 56.4 t-80 -67.12 -43.63 81.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.582 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . 0.549 ' O ' ' CB ' ' A' ' 141' ' ' LYS . . . -62.06 -53.32 57.14 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.494 ' CG ' ' HA ' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -69.05 -30.55 68.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.589 ' CB ' ' O ' ' A' ' 135' ' ' LEU . . . -58.44 -50.34 74.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . 0.506 ' CE2' ' HA ' ' A' ' 93' ' ' PRO . 6.9 m-85 -86.43 -40.93 14.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.964 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.549 ' CB ' ' O ' ' A' ' 137' ' ' ALA . 0.0 OUTLIER -58.07 -48.01 81.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.6 108.71 18.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 110.277 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 119.77 62.92 0.27 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.502 1.127 . . . . 0.0 111.023 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -174.2 -64.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 0.789 . . . . 0.0 109.293 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -165.33 92.07 0.11 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.545 1.153 . . . . 0.0 111.034 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -101.88 -162.31 26.79 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 2.3 t 53.6 99.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 0.74 . . . . 0.0 109.987 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 42.5 t60 -149.72 -61.95 0.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.609 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -162.51 123.07 2.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.567 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -161.13 105.37 1.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.567 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 57.2 m80 -152.65 -62.53 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 109.553 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 4.2 m80 -65.26 162.55 17.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.629 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 1.3 m80 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.618 -179.993 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -44.86 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.517 1.798 . . . . 0.0 111.027 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 1.1 tt 64.47 90.05 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 169.27 122.75 0.64 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.485 1.116 . . . . 0.0 110.964 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.82 -33.53 34.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 0.738 . . . . 0.0 109.973 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 57.62 172.58 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 111.004 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 63.59 91.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 68.5 p -132.98 -43.78 0.87 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.394 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.565 ' O ' ' CB ' ' A' ' 5' ' ' THR . 0.6 OUTLIER 53.96 172.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 110.295 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.565 ' CB ' ' O ' ' A' ' 4' ' ' GLU . 2.2 m 86.94 -34.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 110.373 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.517 ' CB ' ' O ' ' A' ' 5' ' ' THR . 0.4 OUTLIER 88.25 -39.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.279 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.503 ' CD2' HG21 ' A' ' 5' ' ' THR . 17.8 m-85 -53.06 -55.25 25.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -48.52 -36.94 16.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.4 ttm-85 -74.93 -31.74 61.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.34 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.516 HD11 ' CG ' ' A' ' 47' ' ' PHE . 42.5 mt -65.39 -41.33 90.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.4 mt -57.61 -44.77 85.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.474 ' HG ' ' N ' ' A' ' 13' ' ' PHE . 0.1 OUTLIER -57.97 -46.43 85.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.483 ' CD1' HG23 ' A' ' 40' ' ' VAL . 6.4 m-85 -64.0 -37.07 86.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 110.985 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -60.43 -57.26 13.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 1.085 . . . . 0.0 110.268 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.516 ' HG3' ' N ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -53.62 -27.81 29.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.289 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.516 ' N ' ' HG3' ' A' ' 15' ' ' GLN . 52.1 mt -71.4 -53.5 20.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.3 ttp180 -52.44 -51.71 57.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.321 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.43 ' NE2' ' OD1' ' A' ' 22' ' ' ASN . 2.6 tp60 -55.06 -54.77 38.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 110.326 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 23' ' ' THR . 0.1 OUTLIER -57.93 -37.18 73.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.53 ' HB1' ' CG ' ' A' ' 37' ' ' TRP . . . -56.5 -43.21 79.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.618 ' HG2' ' CZ2' ' A' ' 37' ' ' TRP . 3.0 mt-10 -66.51 -38.24 86.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.425 1.078 . . . . 0.0 110.292 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.43 ' OD1' ' NE2' ' A' ' 18' ' ' GLN . 1.1 m120 -73.72 -33.54 64.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 27' ' ' ASN . 2.2 m -63.29 -22.74 67.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.396 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.404 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -64.74 -61.67 2.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 111.007 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.6 -23.99 67.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.74 -40.36 29.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.138 . . . . 0.0 110.007 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 23' ' ' THR . 2.2 m-20 -168.11 89.41 0.67 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 0.35 9.0 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.499 1.789 . . . . 0.0 111.01 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.524 ' O ' ' CG2' ' A' ' 70' ' ' ILE . 18.8 mt -90.42 -21.45 21.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.411 ' O ' ' HB2' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -64.54 98.34 0.25 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.429 1.081 . . . . 0.0 109.302 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -74.66 -45.06 47.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.339 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -48.98 -50.46 35.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.568 1.168 . . . . 0.0 109.293 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.433 ' CB ' HG21 ' A' ' 23' ' ' THR . 0.7 OUTLIER -66.28 -46.17 77.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.477 ' CD2' ' O ' ' A' ' 63' ' ' LYS . 0.2 OUTLIER -52.8 -50.32 63.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.448 ' CG2' ' HG2' ' A' ' 76' ' ' GLU . 72.4 m -57.68 -35.82 71.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 110.38 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.482 ' HD3' ' CG2' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -70.31 -26.31 63.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.618 ' CZ2' ' HG2' ' A' ' 21' ' ' GLU . 5.9 t90 -65.44 -28.16 69.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 108.035 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.626 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -83.28 -60.1 2.06 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -42.02 -44.46 4.7 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.483 HG23 ' CD1' ' A' ' 13' ' ' PHE . 5.1 p -67.43 -38.97 81.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.475 HD11 ' CG ' ' A' ' 59' ' ' GLU . 14.8 mt -60.96 -42.64 98.66 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.259 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 17.7 mt -65.59 -36.95 85.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -65.79 -58.34 5.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.253 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 71.8 mt -60.61 -30.23 69.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.264 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -53.66 -37.81 63.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.004 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.456 ' HG2' ' N ' ' A' ' 47' ' ' PHE . 0.4 OUTLIER -68.05 -37.48 81.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.516 ' CG ' HD11 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -78.28 -22.64 47.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 111.027 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.452 ' O ' ' HB3' ' A' ' 49' ' ' SER . 0.4 OUTLIER -78.88 -93.5 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.502 1.126 . . . . 0.0 109.601 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.503 ' O ' ' N ' ' A' ' 53' ' ' ALA . 35.1 p 177.66 153.39 0.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.959 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.452 HG23 ' CD ' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -48.27 -46.84 13.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 109.347 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.431 ' N ' HG22 ' A' ' 50' ' ' ILE . 47.9 t -47.12 -57.64 4.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 109.982 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.416 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 24.1 m-20 -75.02 -45.07 44.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.503 ' N ' ' O ' ' A' ' 49' ' ' SER . . . -45.25 -36.11 3.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.452 ' CD ' HG23 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -65.47 -58.37 5.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.416 ' HG2' ' O ' ' A' ' 52' ' ' ASP . 6.6 pt20 -62.46 -36.09 81.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.312 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 82.8 mtp -67.6 -32.36 73.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.964 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.441 ' CG2' ' HB2' ' A' ' 88' ' ' PHE . 22.1 mt -71.84 -46.12 62.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -51.24 -51.23 55.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.302 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.475 ' CG ' HD11 ' A' ' 41' ' ' LEU . 2.4 pt-20 -66.69 -35.22 79.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 110.323 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.432 ' N ' ' HG2' ' A' ' 59' ' ' GLU . . . -59.72 -32.45 70.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.55 HD13 ' CD1' ' A' ' 85' ' ' TYR . 0.4 OUTLIER -69.87 -57.28 8.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.234 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 72.0 p -49.19 -35.57 17.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.396 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.477 ' O ' ' CD2' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -62.4 -42.55 99.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.948 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.626 ' CE1' ' HA3' ' A' ' 38' ' ' GLY . 21.3 m-85 -67.04 -40.43 87.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.974 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -50.71 -55.46 16.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.314 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.408 ' O ' ' HB2' ' A' ' 69' ' ' LEU . 4.9 tt0 -57.55 -35.27 70.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.327 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.422 ' HB2' ' HB3' ' A' ' 34' ' ' LEU . . . -66.2 -46.5 77.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.1 mt -57.34 -28.98 63.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.408 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 0.9 OUTLIER -68.61 -45.14 72.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.254 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.524 ' CG2' ' O ' ' A' ' 29' ' ' LEU . 5.0 mt -65.63 -43.05 94.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 109.25 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -144.11 110.06 5.07 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -19.36 17.92 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.494 1.786 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -82.78 3.35 29.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -67.92 77.41 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.1 -30.54 26.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.448 ' HG2' ' CG2' ' A' ' 35' ' ' THR . 72.9 tt0 -67.18 -52.76 37.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 110.364 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.16 -32.79 37.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.441 ' CG1' ' HB2' ' A' ' 111' ' ' GLN . 14.7 t -74.6 -53.59 16.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.501 ' CZ3' ' SG ' ' A' ' 80' ' ' CYS . 0.3 OUTLIER -58.2 -46.74 85.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 108.03 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 64' ' ' PHE . 0.5 OUTLIER -50.6 -54.17 24.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 108.282 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.599 ' CG2' ' CE2' ' A' ' 85' ' ' TYR . 68.9 mt -51.91 -39.49 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.485 ' CA ' ' HB2' ' A' ' 105' ' ' ALA . . . -68.78 -41.11 84.32 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.52 1.137 . . . . 0.0 111.043 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.472 ' OD1' ' CD1' ' A' ' 79' ' ' TRP . 3.1 m120 -64.46 -37.99 89.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 0.765 . . . . 0.0 109.347 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.81 -55.29 24.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.599 ' CE2' ' CG2' ' A' ' 81' ' ' ILE . 13.0 m-85 -58.45 -47.03 85.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.957 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 42.5 m -57.99 -46.76 84.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 110.395 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.412 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 2.0 m -66.92 -52.09 47.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.0 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.441 ' HB2' ' CG2' ' A' ' 57' ' ' ILE . 40.7 t80 -52.27 -35.18 49.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 111.03 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.574 ' HB3' ' CE2' ' A' ' 102' ' ' PHE . . . -58.51 -49.38 77.57 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.408 ' O ' ' OH ' ' A' ' 140' ' ' TYR . 38.3 m-85 -58.01 -21.51 45.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 0.0 111.013 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.478 ' O ' ' HD3' ' A' ' 93' ' ' PRO . 1.4 mt -95.82 -4.14 44.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.452 ' O ' ' NE2' ' A' ' 136' ' ' HIS . 1.2 m -98.32 106.38 35.29 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.382 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.508 ' HA ' ' CE2' ' A' ' 140' ' ' TYR . 18.5 Cg_endo -74.99 -13.15 21.51 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.437 1.756 . . . . 0.0 111.049 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.633 ' O ' ' CB ' ' A' ' 95' ' ' GLU . 0.2 OUTLIER -58.29 -50.08 74.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.095 . . . . 0.0 109.309 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.633 ' CB ' ' O ' ' A' ' 94' ' ' ASP . 3.3 mm-40 97.68 -56.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 110.274 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -57.7 -40.22 79.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 110.414 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -75.89 -35.62 59.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.289 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.5 ' HB2' ' CD2' ' A' ' 136' ' ' HIS . . . -68.39 -52.88 28.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 10.3 tttt -56.0 -51.65 67.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.522 ' CD2' ' C ' ' A' ' 100' ' ' HIS . 0.2 OUTLIER -52.79 -44.07 66.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.555 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -62.12 -52.65 63.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.574 ' CE2' ' HB3' ' A' ' 89' ' ' ALA . 7.8 m-85 -50.99 -44.77 60.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.74 -19.33 62.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.7 -47.52 16.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.524 ' CB ' ' CZ ' ' A' ' 109' ' ' PHE . . . -58.37 -24.46 59.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 3.1 m -61.15 -55.79 28.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.401 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.41 ' HG3' ' N ' ' A' ' 108' ' ' PHE . 1.0 OUTLIER -57.12 -23.31 46.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.279 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.501 ' CZ ' HG21 ' A' ' 81' ' ' ILE . 13.5 m-85 -82.6 -47.29 12.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.524 ' CZ ' ' CB ' ' A' ' 105' ' ' ALA . 20.0 m-30 -53.33 -32.06 47.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 111.042 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.409 ' NE2' ' HA ' ' A' ' 110' ' ' GLN . 1.4 tp60 -59.94 -30.2 68.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.248 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.441 ' HB2' ' CG1' ' A' ' 78' ' ' VAL . 56.5 mt-30 -81.55 -42.71 19.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.325 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.542 ' O ' ' CD2' ' A' ' 122' ' ' TYR . . . -61.98 -49.18 77.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.262 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.475 ' O ' ' N ' ' A' ' 117' ' ' PRO . 10.1 m -67.37 -33.55 63.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -44.99 -45.04 10.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.417 ' C ' ' HG2' ' A' ' 116' ' ' GLN . 61.3 mm-40 -75.08 -44.97 44.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.294 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.417 ' HG2' ' C ' ' A' ' 115' ' ' GLU . 1.4 mm-40 -139.16 83.26 18.08 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.258 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.475 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.4 Cg_endo -74.96 -14.56 21.19 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.507 1.793 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -92.59 -12.14 32.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -61.33 120.91 11.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 38.1 p -56.97 -30.44 64.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.376 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.429 ' CD2' ' H ' ' A' ' 121' ' ' HIS . 4.7 m-70 -70.27 -59.68 2.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.576 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.542 ' CD2' ' O ' ' A' ' 112' ' ' ALA . 10.6 m-30 -60.41 -23.33 64.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 111.03 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.566 ' C ' ' CD2' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -73.32 -45.8 53.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.1 . . . . 0.0 109.265 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.432 ' N ' HD11 ' A' ' 123' ' ' LEU . 12.1 tptt -58.5 -44.54 89.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.55 -43.34 89.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.008 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.437 ' O ' ' OG1' ' A' ' 129' ' ' THR . 45.0 tp -71.18 -40.36 71.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.274 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.99 -34.47 76.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.279 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' MET . . . . . 0.424 ' N ' ' O ' ' A' ' 124' ' ' LYS . 0.6 OUTLIER -54.66 -32.41 59.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' A' ' 126' ' ' LEU . 20.8 p -63.49 -34.04 76.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.359 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 129' ' ' THR . . . -39.75 -46.5 1.91 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.168 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -123.63 46.22 2.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . 0.539 ' N ' ' CD ' ' A' ' 133' ' ' PRO . . . -64.82 -50.41 63.72 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . 0.539 ' CD ' ' N ' ' A' ' 132' ' ' ALA . 18.3 Cg_endo -74.97 -25.58 11.78 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.475 1.776 . . . . 0.0 110.987 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . 0.451 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 8.1 mm-40 -80.52 -51.01 9.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 110.276 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.547 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 37.5 mt -48.43 -42.3 31.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . 0.577 ' CE1' ' HA ' ' A' ' 95' ' ' GLU . 58.9 t-80 -67.07 -45.06 78.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.637 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . 0.523 ' O ' ' CB ' ' A' ' 141' ' ' LYS . . . -61.79 -53.13 60.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.483 ' CG ' ' HA ' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -68.45 -27.77 66.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.243 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.547 ' CB ' ' O ' ' A' ' 135' ' ' LEU . . . -59.02 -53.15 61.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . 0.508 ' CE2' ' HA ' ' A' ' 93' ' ' PRO . 10.5 m-85 -85.37 -41.39 15.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.977 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.523 ' CB ' ' O ' ' A' ' 137' ' ' ALA . 2.6 tmmm? -57.95 -48.07 81.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . 0.428 ' CB ' ' O ' ' A' ' 138' ' ' GLU . 2.2 tp60 -83.44 124.8 31.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.422 1.076 . . . . 0.0 110.331 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 159.46 -137.36 5.08 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.49 1.118 . . . . 0.0 110.962 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 65.73 171.77 0.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 0.737 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -70.87 131.0 20.62 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.546 1.154 . . . . 0.0 111.055 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 98.55 -81.47 0.6 Allowed Glycine 0 CA--C 1.53 1.025 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.59 137.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 0.784 . . . . 0.0 109.994 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -53.47 145.82 13.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.585 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -78.99 113.86 17.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.605 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.34 171.59 1.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.609 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -68.64 155.25 40.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.637 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 47.5 p-80 -88.87 157.32 18.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.589 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 8.2 t-160 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.62 -179.997 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -53.31 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.534 1.807 . . . . 0.0 111.019 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 3.0 mp 70.07 -68.25 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 81.35 54.83 3.4 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.84 -31.36 31.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 0.755 . . . . 0.0 110.001 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.75 137.95 57.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -167.66 -66.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.429 HG21 ' N ' ' A' ' 4' ' ' GLU . 4.8 t -102.56 -33.63 9.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.419 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.429 ' N ' HG21 ' A' ' 3' ' ' THR . 0.7 OUTLIER 50.73 23.94 1.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.315 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.521 ' O ' ' CB ' ' A' ' 6' ' ' GLU . 60.9 m -87.81 16.1 6.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 110.363 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.521 ' CB ' ' O ' ' A' ' 5' ' ' THR . 1.3 pt-20 88.15 -36.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.278 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.441 ' N ' ' HG2' ' A' ' 6' ' ' GLU . 21.2 m-85 -58.24 -49.52 76.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.53 -37.89 63.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.454 ' CG ' ' CE2' ' A' ' 13' ' ' PHE . 8.6 ttm180 -67.4 -34.92 78.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.344 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.581 HG21 ' CE1' ' A' ' 47' ' ' PHE . 1.7 mt -66.49 -42.18 89.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.0 mt -53.72 -38.83 64.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.46 ' HG ' ' N ' ' A' ' 13' ' ' PHE . 0.1 OUTLIER -68.67 -46.04 70.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.561 ' CE2' ' HB3' ' A' ' 43' ' ' GLU . 7.7 m-85 -63.87 -29.57 70.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -64.02 -53.96 41.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.508 ' HG3' ' N ' ' A' ' 16' ' ' ILE . 0.9 OUTLIER -56.78 -31.28 64.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.508 ' N ' ' HG3' ' A' ' 15' ' ' GLN . 41.5 mt -71.66 -45.38 67.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -52.79 -53.87 42.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.268 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.495 ' HG3' ' N ' ' A' ' 19' ' ' ASP . 7.8 pt20 -63.27 -36.94 85.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.326 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.495 ' N ' ' HG3' ' A' ' 18' ' ' GLN . 0.5 OUTLIER -68.46 -41.44 80.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.468 ' CB ' ' HB2' ' A' ' 37' ' ' TRP . . . -73.68 -57.53 3.92 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.127 . . . . 0.0 109.279 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.561 ' HG3' ' CZ2' ' A' ' 37' ' ' TRP . 2.8 tt0 -50.87 -51.63 49.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 110.321 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.428 ' CB ' ' O ' ' A' ' 18' ' ' GLN . 28.6 t30 -61.9 -46.04 91.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.468 ' CB ' ' O ' ' A' ' 19' ' ' ASP . 1.8 m -55.01 -28.11 49.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 110.341 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.456 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 10.9 t80 -49.77 -60.72 2.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.32 -26.91 68.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.44 -31.56 68.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.994 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.469 ' O ' ' CG ' ' A' ' 30' ' ' ASP . 2.7 m-80 -169.66 94.47 0.51 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 109.336 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 1.72 7.45 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.531 1.806 . . . . 0.0 110.969 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.455 ' O ' ' CG2' ' A' ' 70' ' ' ILE . 11.7 mt -101.88 6.68 41.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.526 ' O ' ' CB ' ' A' ' 34' ' ' LEU . 50.2 p-10 -87.28 98.01 11.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.23 -31.15 63.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.329 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.43 -55.35 16.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.103 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.444 ' CB ' HG22 ' A' ' 23' ' ' THR . 1.1 m120 -68.48 -34.15 75.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.526 ' CB ' ' O ' ' A' ' 30' ' ' ASP . 7.4 tp -67.08 -42.93 83.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 41.1 m -68.84 -42.45 77.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 110.43 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.442 ' CZ ' ' CB ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -68.28 -25.11 65.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.561 ' CZ2' ' HG3' ' A' ' 21' ' ' GLU . 12.6 t90 -67.19 -27.14 67.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.132 . . . . 0.0 107.993 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.591 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -85.53 -54.51 2.79 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.559 1.162 . . . . 0.0 110.983 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -43.58 -41.62 5.55 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.54 HG23 ' CD1' ' A' ' 13' ' ' PHE . 0.7 OUTLIER -67.38 -48.72 76.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.528 0.781 . . . . 0.0 109.229 -179.936 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.484 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 21.4 mt -48.44 -45.2 36.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.471 HD22 ' CB ' ' A' ' 60' ' ' ALA . 14.1 mt -65.52 -37.1 85.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.561 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 12.4 mm-40 -63.42 -57.52 10.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.58 ' HB3' ' CD2' ' A' ' 48' ' ' HIS . 11.3 mt -55.15 -34.56 63.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.424 ' HA ' ' HB2' ' A' ' 48' ' ' HIS . 3.7 m -59.6 -12.71 7.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.033 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -68.08 -14.13 62.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.645 ' CG ' ' O ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -158.2 22.15 0.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.97 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.58 ' CD2' ' HB3' ' A' ' 44' ' ' LEU . 0.2 OUTLIER -96.64 5.22 51.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.65 179.93 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.483 ' CB ' ' O ' ' A' ' 48' ' ' HIS . 0.7 OUTLIER 84.02 128.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.001 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.481 HG13 ' CD2' ' A' ' 91' ' ' LEU . 0.5 OUTLIER -47.3 -48.04 9.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.42 ' N ' HG21 ' A' ' 50' ' ' ILE . 47.9 t -44.8 -56.09 4.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.977 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -71.87 -45.13 62.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.506 ' O ' ' CD1' ' A' ' 57' ' ' ILE . . . -44.8 -35.03 2.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.334 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.7 mtpt -64.59 -58.06 7.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.365 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -63.37 -35.32 80.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.243 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 89.2 mtp -67.51 -34.27 76.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 111.019 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.506 ' CD1' ' O ' ' A' ' 53' ' ' ALA . 19.2 mt -72.82 -47.53 49.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -47.26 -54.45 10.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.335 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.472 ' CG ' HD12 ' A' ' 41' ' ' LEU . 5.5 pt-20 -65.18 -35.34 80.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 110.263 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.485 ' O ' ' CD2' ' A' ' 64' ' ' PHE . . . -59.7 -28.97 67.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -78.09 -57.36 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 72.3 p -49.68 -28.38 5.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 110.416 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.509 ' NZ ' ' CH2' ' A' ' 37' ' ' TRP . 0.1 OUTLIER -69.35 -48.65 60.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 0.0 109.262 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.591 ' CE1' ' HA3' ' A' ' 38' ' ' GLY . 20.9 m-85 -60.92 -37.88 83.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.959 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.07 -56.06 12.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 110.317 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -66.27 -35.13 79.61 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.473 1.108 . . . . 0.0 110.322 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.477 ' CB ' ' HG ' ' A' ' 34' ' ' LEU . . . -63.01 -38.54 91.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.0 mt -65.26 -29.61 70.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.88 -33.46 74.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.455 ' CG2' ' O ' ' A' ' 29' ' ' LEU . 5.6 mt -75.78 -39.57 38.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.466 ' OD2' ' N ' ' A' ' 74' ' ' LYS . 31.2 t70 -145.21 107.36 4.5 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -26.16 11.17 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.492 1.785 . . . . 0.0 110.979 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.84 7.17 13.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.466 ' N ' ' OD2' ' A' ' 71' ' ' ASP . 4.5 tppt? -73.1 78.42 1.23 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.33 -24.92 8.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.432 ' HG2' ' CE3' ' A' ' 79' ' ' TRP . 4.0 tt0 -69.85 -53.98 15.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.314 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.46 -33.05 42.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.473 ' CG1' ' HB2' ' A' ' 111' ' ' GLN . 24.7 t -74.73 -53.31 16.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.432 ' CE3' ' HG2' ' A' ' 76' ' ' GLU . 0.4 OUTLIER -57.99 -47.33 83.31 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.589 ' HB3' ' CZ ' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -50.1 -53.97 23.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 108.298 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.564 HG22 ' CE2' ' A' ' 108' ' ' PHE . 66.3 mt -51.95 -40.22 27.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.468 ' CA ' ' HB1' ' A' ' 105' ' ' ALA . . . -71.22 -43.38 55.73 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.462 1.101 . . . . 0.0 110.986 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -64.55 -33.16 75.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 0.77 . . . . 0.0 109.299 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.86 -54.76 12.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.47 ' CD1' ' ND2' ' A' ' 101' ' ' ASN . 4.8 m-85 -56.19 -47.39 78.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.503 HG23 ' CE1' ' A' ' 102' ' ' PHE . 40.9 m -54.66 -46.14 73.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.428 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 47.7 t -66.95 -51.3 56.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.994 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.47 ' HB2' ' CG2' ' A' ' 57' ' ' ILE . 35.9 t80 -53.89 -31.69 50.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.28 -45.91 89.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.478 ' O ' ' CE1' ' A' ' 140' ' ' TYR . 32.8 m-85 -60.49 -21.41 62.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.997 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.481 ' CD2' HG13 ' A' ' 50' ' ' ILE . 0.8 OUTLIER -95.55 -4.74 44.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.25 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -97.5 109.06 48.67 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.393 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.516 ' HA ' ' CE2' ' A' ' 140' ' ' TYR . 18.4 Cg_endo -75.05 48.23 1.96 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.476 1.777 . . . . 0.0 110.979 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.444 ' O ' ' CB ' ' A' ' 98' ' ' ALA . 3.2 m-20 -152.34 121.08 6.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -64.37 -45.77 86.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.113 . . . . 0.0 110.3 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.464 ' CG2' ' N ' ' A' ' 97' ' ' GLU . 6.9 t -51.64 -50.52 60.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.427 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.464 ' N ' ' CG2' ' A' ' 96' ' ' THR . 3.4 mm-40 -75.98 -50.21 15.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.428 1.08 . . . . 0.0 110.314 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.444 ' CB ' ' O ' ' A' ' 94' ' ' ASP . . . -52.78 -53.38 49.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 53.4 tttp -59.47 -53.19 61.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.553 ' CD2' ' C ' ' A' ' 100' ' ' HIS . 0.2 OUTLIER -48.87 -43.65 39.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.584 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . 0.47 ' ND2' ' CD1' ' A' ' 85' ' ' TYR . 1.2 m120 -63.77 -54.41 35.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.57 ' CD1' ' HB2' ' A' ' 132' ' ' ALA . 4.0 m-85 -51.1 -49.0 61.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -64.45 -22.09 66.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.58 -47.59 26.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.468 ' HB1' ' CA ' ' A' ' 82' ' ' GLY . . . -62.24 -23.8 66.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.44 ' HA ' ' CD2' ' A' ' 109' ' ' PHE . 2.3 m -64.31 -54.58 30.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 110.429 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.411 ' HG3' ' N ' ' A' ' 108' ' ' PHE . 0.5 OUTLIER -54.75 -23.63 18.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.17 . . . . 0.0 110.329 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.564 ' CE2' HG22 ' A' ' 81' ' ' ILE . 12.5 m-85 -82.72 -46.18 13.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.443 ' CZ ' ' HB1' ' A' ' 105' ' ' ALA . 21.8 m-30 -53.67 -37.03 62.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 111.023 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.413 ' NE2' ' HA ' ' A' ' 110' ' ' GLN . 11.0 tp60 -56.72 -29.16 62.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.473 ' HB2' ' CG1' ' A' ' 78' ' ' VAL . 61.5 mt-30 -80.99 -42.91 20.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 110.326 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.65 -51.67 68.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.322 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.468 ' O ' ' N ' ' A' ' 117' ' ' PRO . 5.2 m -64.88 -38.99 84.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -45.4 -47.97 13.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -68.29 -37.23 80.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 110.293 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.43 ' O ' ' CG ' ' A' ' 116' ' ' GLN . 1.5 tt0 -161.73 90.33 1.46 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.137 . . . . 0.0 110.296 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.468 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.1 Cg_endo -75.03 -3.09 13.41 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.5 1.789 . . . . 0.0 110.993 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -86.02 -8.3 58.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -71.54 118.43 14.35 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.566 1.166 . . . . 0.0 109.282 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 62.1 p -55.49 -50.8 68.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.377 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.429 ' H ' ' CD2' ' A' ' 121' ' ' HIS . 12.3 m-70 -49.63 -59.33 3.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.593 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.405 ' HB3' ' CG1' ' A' ' 113' ' ' VAL . 10.4 m-30 -51.83 -34.27 39.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.547 ' C ' ' CD2' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -65.93 -52.09 52.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.419 ' N ' HD13 ' A' ' 123' ' ' LEU . 1.5 tptp -57.65 -40.45 79.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.43 -39.3 92.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.96 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.437 HD12 ' CB ' ' A' ' 109' ' ' PHE . 10.9 tp -73.41 -44.79 57.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.54 -33.07 74.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.246 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' MET . . . . . 0.403 ' N ' ' O ' ' A' ' 124' ' ' LYS . 21.8 mmm -57.49 -29.35 64.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 126' ' ' LEU . 14.0 p -68.54 -29.96 68.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 110.377 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -42.31 -48.54 5.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.412 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 0.7 OUTLIER -114.24 48.48 1.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . 0.57 ' HB2' ' CD1' ' A' ' 102' ' ' PHE . . . -63.66 -52.86 55.58 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.262 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . 0.49 ' CD ' ' N ' ' A' ' 132' ' ' ALA . 18.3 Cg_endo -75.04 -23.87 13.31 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.506 1.793 . . . . 0.0 110.986 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . 0.461 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 6.3 tp-100 -80.47 -50.68 9.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.556 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 59.0 mt -51.58 -40.57 60.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.268 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -68.02 -44.58 76.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.617 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . 0.521 ' O ' ' CB ' ' A' ' 141' ' ' LYS . . . -61.79 -52.44 64.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.258 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.492 ' CG ' ' HA ' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -68.92 -27.03 65.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.556 ' CB ' ' O ' ' A' ' 135' ' ' LEU . . . -63.94 -50.65 67.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . 0.516 ' CE2' ' HA ' ' A' ' 93' ' ' PRO . 6.4 m-85 -84.17 -43.22 15.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.974 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.521 ' CB ' ' O ' ' A' ' 137' ' ' ALA . 1.3 ttpt -57.34 -48.11 79.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.69 127.26 34.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 172.36 -115.12 0.55 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.478 1.111 . . . . 0.0 110.984 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.4 tt -68.48 -65.17 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 0.769 . . . . 0.0 109.32 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -70.01 -116.66 0.04 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.471 1.107 . . . . 0.0 110.995 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 96.72 102.87 2.08 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 2.2 m -162.16 81.93 0.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 0.751 . . . . 0.0 109.991 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -108.82 129.72 55.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.576 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 10.7 m170 -42.76 111.23 0.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.584 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -160.85 166.82 27.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.605 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -43.45 162.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.602 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 27.3 m-70 -72.58 129.08 37.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.628 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 33.1 m170 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.608 -179.979 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 170.23 20.86 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.493 1.786 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -166.96 66.41 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -175.56 -67.05 0.05 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.477 1.111 . . . . 0.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 54.6 p -73.89 -36.35 64.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 0.793 . . . . 0.0 109.981 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER 63.44 79.86 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 111.04 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.96 168.83 12.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 56.64 171.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 110.424 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.512 ' O ' ' CB ' ' A' ' 5' ' ' THR . 0.3 OUTLIER 70.68 -165.57 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.327 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.524 ' O ' ' CB ' ' A' ' 6' ' ' GLU . 2.0 m 82.93 21.39 0.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.4 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.524 ' CB ' ' O ' ' A' ' 5' ' ' THR . 2.1 pt-20 88.4 -33.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 110.322 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.438 ' N ' ' HG2' ' A' ' 6' ' ' GLU . 17.7 m-30 -54.78 -54.34 43.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 111.034 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.75 -39.45 24.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.5 ttm180 -72.37 -36.71 68.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 110.295 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.469 HG22 ' CD2' ' A' ' 44' ' ' LEU . 16.1 mt -62.77 -33.85 62.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.4 mt -63.67 -41.11 98.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.479 ' CD1' ' CD1' ' A' ' 16' ' ' ILE . 0.2 OUTLIER -61.38 -47.96 83.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.517 ' CD1' HG22 ' A' ' 40' ' ' VAL . 13.8 m-85 -63.81 -25.38 68.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.972 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.426 ' CG ' ' O ' ' A' ' 10' ' ' ILE . 3.0 mm-40 -68.0 -55.94 10.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.237 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.476 ' HG3' ' N ' ' A' ' 16' ' ' ILE . 3.8 pt20 -55.99 -29.41 60.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.328 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.479 ' CD1' ' CD1' ' A' ' 12' ' ' LEU . 12.7 mt -71.45 -51.04 36.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 109.345 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -51.36 -58.49 6.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.261 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.43 ' HG3' ' N ' ' A' ' 19' ' ' ASP . 18.1 pt20 -50.77 -46.32 59.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.322 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.43 ' N ' ' HG3' ' A' ' 18' ' ' GLN . 0.1 OUTLIER -62.89 -28.47 70.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.557 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . . . -70.98 -41.91 70.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.659 ' HG2' ' CZ2' ' A' ' 37' ' ' TRP . 2.9 mt-10 -66.46 -40.46 89.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 110.285 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.468 ' HA ' ' CE ' ' A' ' 25' ' ' LYS . 1.0 OUTLIER -75.52 -36.71 60.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.344 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.428 ' CB ' ' O ' ' A' ' 19' ' ' ASP . 1.3 m -60.41 -26.23 66.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.412 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.452 ' O ' ' CD ' ' A' ' 28' ' ' PRO . 0.0 OUTLIER -54.58 -60.92 2.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.994 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.468 ' CE ' ' HA ' ' A' ' 22' ' ' ASN . 0.0 OUTLIER -64.09 -26.76 68.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.5 t -71.82 -39.5 69.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.988 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -169.57 84.53 0.62 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.452 ' CD ' ' O ' ' A' ' 24' ' ' TYR . 18.3 Cg_endo -74.98 -0.87 10.48 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.44 1.758 . . . . 0.0 111.028 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.488 ' O ' ' CG2' ' A' ' 70' ' ' ILE . 9.8 mt -91.08 -23.62 20.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -64.58 99.44 0.31 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.416 ' HB2' ' CA ' ' A' ' 67' ' ' ALA . . . -74.01 -21.76 59.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -69.81 -47.5 62.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.266 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.407 ' CG ' HG22 ' A' ' 23' ' ' THR . 0.2 OUTLIER -70.94 -40.06 72.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.411 ' CD2' ' O ' ' A' ' 63' ' ' LYS . 0.2 OUTLIER -59.17 -50.21 74.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.095 . . . . 0.0 109.283 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 40.3 m -58.74 -35.12 72.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.408 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.46 -23.93 62.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 110.298 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.659 ' CZ2' ' HG2' ' A' ' 21' ' ' GLU . 6.1 t90 -67.02 -27.47 67.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 0.0 107.991 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.615 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -84.79 -58.21 2.17 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -38.89 -44.98 2.04 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.517 HG22 ' CD1' ' A' ' 13' ' ' PHE . 4.7 p -67.38 -48.79 76.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.515 0.773 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.486 HD13 ' CG ' ' A' ' 59' ' ' GLU . 12.0 mt -49.69 -44.14 47.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 17.2 mt -64.27 -37.88 89.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.515 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 15.2 mm-40 -63.03 -51.62 66.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.349 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.469 ' CD2' HG22 ' A' ' 10' ' ' ILE . 13.9 mt -62.06 -34.08 75.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.9 -21.57 64.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.037 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.684 ' HB2' ' CE1' ' A' ' 47' ' ' PHE . 36.3 mt-30 -67.97 -3.43 9.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 110.365 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.684 ' CE1' ' HB2' ' A' ' 46' ' ' GLN . 0.1 OUTLIER -157.05 60.89 0.51 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.14 . . . . 0.0 110.989 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -157.03 140.61 15.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.585 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.3 t -40.7 136.5 1.37 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.136 . . . . 0.0 110.005 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.47 HG13 ' CD2' ' A' ' 91' ' ' LEU . 1.0 OUTLIER -48.04 -41.83 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.427 ' N ' HG23 ' A' ' 50' ' ' ILE . 22.0 t -52.21 -47.71 65.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 109.994 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.36 -26.61 38.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.85 -53.29 57.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.113 . . . . 0.0 109.247 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.428 ' CD ' HG21 ' A' ' 50' ' ' ILE . 23.9 mtpt -55.87 -53.28 58.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -54.81 -42.93 72.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 110.315 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 8.8 mtp -65.45 -36.58 84.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 111.026 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 18.3 mt -72.61 -51.42 28.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -45.49 -54.37 7.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.486 ' CG ' HD13 ' A' ' 41' ' ' LEU . 3.1 pt-20 -65.12 -35.34 80.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 110.328 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.413 ' N ' ' HG2' ' A' ' 59' ' ' GLU . . . -59.52 -28.87 67.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.476 ' CD1' ' HB3' ' A' ' 84' ' ' ALA . 0.4 OUTLIER -76.37 -56.19 8.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 56.8 p -50.21 -35.33 26.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 110.394 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.411 ' O ' ' CD2' ' A' ' 34' ' ' LEU . 0.1 OUTLIER -60.39 -51.97 67.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.234 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.615 ' CE1' ' HA3' ' A' ' 38' ' ' GLY . 21.5 m-85 -56.96 -41.24 77.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 111.039 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.79 -55.67 10.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 110.35 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -56.46 -38.8 72.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.327 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.416 ' CA ' ' HB2' ' A' ' 31' ' ' ALA . . . -64.3 -43.75 93.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 13.8 mt -60.75 -29.19 69.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.33 -34.97 75.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.488 ' CG2' ' O ' ' A' ' 29' ' ' LEU . 5.9 mt -71.44 -44.34 71.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -149.08 113.61 3.6 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -6.31 17.89 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.475 1.776 . . . . 0.0 111.005 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 75' ' ' ASP . 5.6 mmtp -87.24 -6.98 58.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.473 ' HA ' ' CE ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -65.89 74.77 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.9 OUTLIER -51.81 -34.7 41.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.438 ' HG3' ' CE3' ' A' ' 79' ' ' TRP . 24.2 tt0 -59.21 -52.44 65.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.56 -32.33 40.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.303 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.454 ' CG1' ' HB2' ' A' ' 111' ' ' GLN . 25.4 t -74.53 -52.97 18.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.536 ' CZ3' ' SG ' ' A' ' 80' ' ' CYS . 0.4 OUTLIER -59.25 -48.77 80.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 108.017 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.576 ' HB3' ' CZ ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -50.37 -53.5 28.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 108.267 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.526 HG22 ' CZ ' ' A' ' 108' ' ' PHE . 55.1 mt -51.85 -30.87 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.47 ' HA3' ' CE1' ' A' ' 109' ' ' PHE . . . -80.06 -42.17 11.22 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -64.45 -31.73 73.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 0.769 . . . . 0.0 109.331 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.476 ' HB3' ' CD1' ' A' ' 61' ' ' ILE . . . -69.88 -55.71 9.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.512 ' CD2' ' O ' ' A' ' 81' ' ' ILE . 7.9 m-85 -54.17 -41.13 68.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.583 1.177 . . . . 0.0 110.967 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 17.5 m -54.7 -50.82 67.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.425 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.2 t -64.07 -51.82 62.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.003 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -51.1 -41.83 60.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 111.014 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.572 ' HB2' ' CD2' ' A' ' 102' ' ' PHE . . . -56.09 -52.62 63.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -55.0 -18.0 4.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.47 ' CD2' HG13 ' A' ' 50' ' ' ILE . 33.6 mt -93.89 -22.35 18.67 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -96.9 116.55 66.11 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 110.426 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.443 ' O ' ' N ' ' A' ' 95' ' ' GLU . 18.3 Cg_endo -75.03 -24.52 12.68 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.557 1.819 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -58.98 86.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 93' ' ' PRO . 49.7 mt-10 -39.88 -47.25 2.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.09 . . . . 0.0 110.309 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.4 m -52.61 -51.29 60.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.39 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -72.54 -48.93 36.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.572 1.17 . . . . 0.0 110.331 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -53.19 -53.81 45.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.41 -43.07 97.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.128 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.448 ' CD2' ' C ' ' A' ' 100' ' ' HIS . 1.3 t60 -59.7 -43.46 94.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.156 . . . . 0.0 109.574 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -72.52 -47.6 47.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.259 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.59 ' CE2' ' HB2' ' A' ' 136' ' ' HIS . 1.6 m-85 -52.25 -50.27 62.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 111.021 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.81 -19.82 65.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.45 ' O ' ' CG ' ' A' ' 107' ' ' GLN . 0.0 OUTLIER -68.57 -45.03 73.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.465 ' HB2' ' CA ' ' A' ' 82' ' ' GLY . . . -59.72 -34.77 73.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 4.3 m -58.33 -56.57 20.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 110.349 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.45 ' CG ' ' O ' ' A' ' 104' ' ' LEU . 0.8 OUTLIER -55.07 -24.2 24.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.275 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.526 ' CZ ' HG22 ' A' ' 81' ' ' ILE . 4.5 m-85 -84.42 -49.46 8.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.488 ' HB3' ' CD2' ' A' ' 126' ' ' LEU . 21.4 m-85 -54.6 -32.23 58.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.128 . . . . 0.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.412 ' HA ' ' NE2' ' A' ' 110' ' ' GLN . 4.0 tp60 -60.11 -28.99 68.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.454 ' HB2' ' CG1' ' A' ' 78' ' ' VAL . 37.7 mt-30 -81.42 -37.65 27.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -57.19 -52.86 63.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 117' ' ' PRO . 4.4 m -63.94 -34.53 68.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -44.37 -45.43 8.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.476 ' C ' ' HG2' ' A' ' 116' ' ' GLN . 29.5 mm-40 -75.03 -44.25 48.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 110.332 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.476 ' HG2' ' C ' ' A' ' 115' ' ' GLU . 1.3 mm-40 -138.72 83.83 19.04 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 110.34 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.457 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.2 Cg_endo -74.99 -11.76 21.5 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.464 1.77 . . . . 0.0 110.986 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -92.91 -12.42 30.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . 0.412 ' HB3' ' ND1' ' A' ' 121' ' ' HIS . 15.6 m-20 -71.96 115.71 11.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.498 ' O ' ' N ' ' A' ' 123' ' ' LEU . 1.5 t -54.93 -57.75 10.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 0.0 110.416 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.566 ' ND1' ' N ' ' A' ' 121' ' ' HIS . 0.0 OUTLIER -45.86 -35.99 4.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.112 . . . . 0.0 109.592 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.4 ' HB2' ' O ' ' A' ' 119' ' ' ASN . 4.1 m-30 -81.24 -25.6 36.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 111.026 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.56 ' C ' ' CD2' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -81.42 -45.99 15.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.469 ' N ' ' CD1' ' A' ' 123' ' ' LEU . 5.3 tptt -49.89 -39.14 38.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.68 -41.91 70.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.997 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.488 ' CD2' ' HB3' ' A' ' 109' ' ' PHE . 3.0 mm? -66.67 -43.65 83.96 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -67.9 -42.65 80.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.255 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.38 -59.81 4.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 110.97 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -56.58 -22.23 32.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.395 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -44.06 -53.88 5.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.412 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 3.3 mttt -96.71 41.99 1.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . 0.581 ' N ' ' CD ' ' A' ' 133' ' ' PRO . . . -58.49 -48.26 97.25 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . 0.581 ' CD ' ' N ' ' A' ' 132' ' ' ALA . 18.2 Cg_endo -75.04 -24.55 12.66 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.455 1.766 . . . . 0.0 111.002 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . 0.444 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 18.4 tp60 -80.58 -47.42 14.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.311 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.612 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 9.0 mt -55.98 -41.65 75.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . 0.59 ' HB2' ' CE2' ' A' ' 102' ' ' PHE . 59.4 t-80 -66.5 -42.56 87.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.604 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . 0.537 ' O ' ' CB ' ' A' ' 141' ' ' LYS . . . -62.09 -52.92 61.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.502 ' O ' ' CG ' ' A' ' 142' ' ' GLN . 0.0 OUTLIER -69.43 -36.25 76.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.612 ' CB ' ' O ' ' A' ' 135' ' ' LEU . . . -56.93 -48.16 78.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . 0.569 ' CE1' ' CD2' ' A' ' 136' ' ' HIS . 5.1 m-85 -83.99 -43.06 15.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.981 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.537 ' CB ' ' O ' ' A' ' 137' ' ' ALA . 3.9 tmtt? -58.54 -48.03 82.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.161 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . 0.502 ' CG ' ' O ' ' A' ' 138' ' ' GLU . 0.9 OUTLIER -72.0 140.49 49.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 110.259 -179.93 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -61.95 -135.43 0.01 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.478 1.111 . . . . 0.0 111.003 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -165.53 147.13 7.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 0.757 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 143.32 -90.34 0.17 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.491 1.12 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -93.27 -88.02 1.59 Allowed Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 6.9 m 59.49 101.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 0.743 . . . . 0.0 110.02 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 6.7 t-160 -161.34 101.12 1.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.569 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 59.1 m80 -79.09 176.01 10.06 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.459 1.099 . . . . 0.0 109.591 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -172.19 123.72 0.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.641 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 59.2 161.02 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.633 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 13.9 p-80 -93.32 -54.79 3.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 0.0 109.549 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 10.6 t60 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.641 -179.954 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -173.55 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.57 1.826 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -160.81 129.67 4.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 0.0 109.281 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -107.16 165.52 13.21 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.488 1.117 . . . . 0.0 111.022 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 78.3 p -78.2 -30.78 49.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 0.78 . . . . 0.0 110.049 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 ptp -161.95 174.91 12.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 54.95 46.21 24.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 16.6 p -132.39 173.64 11.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.412 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 6' ' ' GLU . 0.6 OUTLIER 73.55 -163.66 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.326 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.423 ' HB ' ' O ' ' A' ' 4' ' ' GLU . 96.8 m 68.29 -59.59 0.44 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.373 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.568 ' HB2' ' CD1' ' A' ' 47' ' ' PHE . 1.6 pt-20 -156.71 -43.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 110.349 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -45.55 -55.17 6.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.158 . . . . 0.0 110.998 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -48.0 -43.28 29.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.433 ' HB2' ' NH1' ' A' ' 9' ' ' ARG . 10.5 ttm105 -73.14 -34.27 65.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 0.0 110.314 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.455 HG22 ' CD2' ' A' ' 44' ' ' LEU . 96.5 mt -63.56 -37.7 80.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.9 mt -57.34 -33.35 67.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.563 ' CD1' ' CD1' ' A' ' 16' ' ' ILE . 0.1 OUTLIER -70.22 -50.47 39.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.465 ' N ' ' HG ' ' A' ' 12' ' ' LEU . 18.3 m-85 -63.88 -30.93 71.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 0.0 110.966 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -61.85 -60.27 3.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 110.299 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.448 ' CG ' ' O ' ' A' ' 12' ' ' LEU . 10.3 pt20 -49.72 -35.3 21.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 110.315 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.563 ' CD1' ' CD1' ' A' ' 12' ' ' LEU . 20.7 mt -71.35 -47.8 57.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.561 1.163 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.1 ttt180 -52.05 -46.7 65.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 110.278 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.442 ' HG3' ' N ' ' A' ' 19' ' ' ASP . 15.2 pt20 -67.46 -42.05 83.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.452 ' O ' ' CB ' ' A' ' 23' ' ' THR . 0.1 OUTLIER -65.64 -39.29 91.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.162 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.58 -54.77 7.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.259 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.555 ' HG3' ' CZ2' ' A' ' 37' ' ' TRP . 8.3 tt0 -54.86 -47.67 73.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.7 t30 -64.67 -47.69 77.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.538 ' CG2' ' CG ' ' A' ' 33' ' ' ASN . 2.5 m -54.02 -24.43 16.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 110.391 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.443 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 8.6 t80 -52.84 -60.13 3.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.963 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.78 -27.17 69.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.4 t -70.6 -36.21 73.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.165 . . . . 0.0 110.027 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -169.36 89.76 0.58 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -2.55 12.68 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.493 1.786 . . . . 0.0 110.986 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.463 ' O ' ' CG2' ' A' ' 70' ' ' ILE . 8.1 mt -91.42 -10.68 40.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -73.66 99.83 3.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.467 1.105 . . . . 0.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.18 -21.9 63.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.364 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -72.22 -55.41 7.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.538 ' CG ' ' CG2' ' A' ' 23' ' ' THR . 24.0 t-20 -70.8 -32.08 69.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.25 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.471 ' HG ' ' CB ' ' A' ' 67' ' ' ALA . 0.5 OUTLIER -65.27 -55.07 20.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 109.267 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.1 m -59.8 -33.45 71.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.389 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.423 ' HD3' ' CG2' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -70.38 -44.57 67.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.315 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.555 ' CZ2' ' HG3' ' A' ' 21' ' ' GLU . 13.7 t90 -51.63 -27.67 12.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 108.006 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.426 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -83.88 -56.58 2.57 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.509 1.13 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -40.49 -45.58 3.43 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.446 ' CG1' ' N ' ' A' ' 41' ' ' LEU . 0.9 OUTLIER -67.31 -46.52 83.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.471 0.748 . . . . 0.0 109.296 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.458 HD13 ' CG ' ' A' ' 59' ' ' GLU . 10.0 mt -49.31 -44.94 44.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.322 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 17.6 mt -62.83 -38.42 90.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.166 . . . . 0.0 109.291 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -65.72 -56.46 11.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.335 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.455 ' CD2' HG22 ' A' ' 10' ' ' ILE . 11.8 mt -61.71 -25.5 67.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.32 -36.09 75.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 110.005 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.486 ' CG ' ' N ' ' A' ' 47' ' ' PHE . 1.3 pt20 -67.93 -44.97 75.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.568 ' CD1' ' HB2' ' A' ' 6' ' ' GLU . 74.8 m-85 -78.02 -20.5 52.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.982 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.444 ' N ' ' O ' ' A' ' 44' ' ' LEU . 20.0 m-70 -92.92 137.87 31.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.168 . . . . 0.0 109.617 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.515 ' O ' ' N ' ' A' ' 53' ' ' ALA . 25.8 p -40.81 154.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.993 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.498 HG21 ' N ' ' A' ' 51' ' ' SER . 1.0 OUTLIER -53.01 -50.02 46.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.498 ' N ' HG21 ' A' ' 50' ' ' ILE . 5.7 t -46.31 -46.56 18.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.992 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.469 ' O ' ' CG ' ' A' ' 56' ' ' MET . 0.4 OUTLIER -82.14 -25.37 34.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 109.273 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.515 ' N ' ' O ' ' A' ' 49' ' ' SER . . . -67.77 -56.4 9.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.466 ' CD ' HG22 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -58.22 -48.98 78.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.431 ' NE2' ' OD1' ' A' ' 52' ' ' ASP . 1.5 pt20 -61.47 -33.42 73.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.24 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.469 ' CG ' ' O ' ' A' ' 52' ' ' ASP . 36.1 mtp -70.59 -30.46 67.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 111.012 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.406 ' CG2' ' HB3' ' A' ' 84' ' ' ALA . 36.3 mt -72.79 -47.14 50.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -46.06 -54.38 8.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 110.312 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.487 ' HA ' ' CG2' ' A' ' 62' ' ' THR . 5.1 pt-20 -66.04 -38.33 88.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.317 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.16 -49.47 77.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.113 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.506 HD12 ' CD1' ' A' ' 85' ' ' TYR . 0.1 OUTLIER -53.24 -62.27 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.487 ' CG2' ' HA ' ' A' ' 59' ' ' GLU . 1.8 t -51.84 -28.52 16.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.391 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.486 ' HE3' ' CH2' ' A' ' 37' ' ' TRP . 0.6 OUTLIER -65.92 -36.89 84.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.613 ' CZ ' ' SG ' ' A' ' 80' ' ' CYS . 21.5 m-85 -71.21 -39.51 71.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -48.27 -55.53 10.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 110.289 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.88 -44.97 96.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.091 . . . . 0.0 110.266 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.471 ' CB ' ' HG ' ' A' ' 34' ' ' LEU . . . -57.87 -33.75 69.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.2 mt -70.02 -30.59 67.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.34 -29.62 68.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.463 ' CG2' ' O ' ' A' ' 29' ' ' LEU . 4.3 mt -78.96 -41.14 23.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.088 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -147.05 103.54 3.83 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -16.24 20.3 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.528 1.804 . . . . 0.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt -82.67 -0.9 49.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.59 81.13 2.0 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.463 ' HB3' ' CG ' ' A' ' 115' ' ' GLU . 0.3 OUTLIER -54.07 -26.13 25.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.259 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.416 ' HG3' ' CE3' ' A' ' 79' ' ' TRP . 2.2 tp10 -65.53 -52.44 52.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.329 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.5 -32.83 42.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.338 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.465 ' CG1' ' HB2' ' A' ' 111' ' ' GLN . 37.0 t -74.65 -53.39 16.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 109.286 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.416 ' CE3' ' HG3' ' A' ' 76' ' ' GLU . 0.4 OUTLIER -57.83 -44.34 86.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 107.985 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.613 ' SG ' ' CZ ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -50.28 -53.33 29.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 108.318 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.545 HD12 ' CE1' ' A' ' 108' ' ' PHE . 86.2 mt -51.93 -51.65 27.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.574 ' HA3' ' CE1' ' A' ' 109' ' ' PHE . . . -61.16 -42.3 99.74 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.485 1.116 . . . . 0.0 111.028 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -64.0 -36.22 83.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 0.774 . . . . 0.0 109.272 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.46 ' CB ' HD13 ' A' ' 61' ' ' ILE . . . -69.67 -54.63 12.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.11 . . . . 0.0 109.298 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.62 ' CE2' HD12 ' A' ' 104' ' ' LEU . 3.8 m-85 -56.05 -39.54 72.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 54.9 m -60.6 -49.31 78.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 110.418 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.2 m -66.62 -49.28 66.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.965 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -52.66 -32.92 44.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 111.041 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.402 ' HB3' ' CE2' ' A' ' 102' ' ' PHE . . . -63.39 -49.59 73.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -56.19 -21.19 21.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.403 ' CD1' ' HB1' ' A' ' 53' ' ' ALA . 12.6 mt -89.27 -23.71 22.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -94.65 119.09 66.68 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.386 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.46 ' HA ' ' CE2' ' A' ' 140' ' ' TYR . 18.4 Cg_endo -74.99 -28.02 9.55 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.525 1.803 . . . . 0.0 111.037 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.95 93.11 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -43.86 -47.2 8.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.3 m -52.1 -49.93 62.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.351 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -72.72 -48.28 40.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.125 . . . . 0.0 110.331 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.11 -53.55 51.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.353 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.4 -42.18 95.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.52 ' CD2' ' C ' ' A' ' 100' ' ' HIS . 0.2 OUTLIER -57.45 -46.1 84.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.626 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ASN . . . . . 0.414 ' O ' ' N ' ' A' ' 105' ' ' ALA . 10.3 m120 -70.26 -46.76 63.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.579 ' CE2' ' HB2' ' A' ' 136' ' ' HIS . 1.1 m-85 -51.3 -54.26 27.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.39 -35.41 73.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.62 HD12 ' CE2' ' A' ' 85' ' ' TYR . 1.5 tm? -66.12 -22.16 66.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.35 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 101' ' ' ASN . . . -82.3 -25.07 34.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.8 m -67.71 -50.64 56.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 110.366 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -46.59 -30.66 2.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.331 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.545 ' CE1' HD12 ' A' ' 81' ' ' ILE . 11.2 m-85 -79.41 -48.3 14.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.112 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.576 ' CD2' HG21 ' A' ' 129' ' ' THR . 22.2 m-85 -54.37 -27.09 33.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.563 1.165 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.69 -28.73 68.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.281 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.465 ' HB2' ' CG1' ' A' ' 78' ' ' VAL . 35.2 mt-30 -82.43 -35.91 27.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.4 -49.76 76.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.476 ' O ' ' N ' ' A' ' 117' ' ' PRO . 7.1 m -66.37 -36.8 78.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -45.19 -48.29 12.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.463 ' CG ' ' HB3' ' A' ' 75' ' ' ASP . 20.2 mm-40 -70.04 -42.31 73.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.251 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.549 ' HG3' ' CD2' ' A' ' 122' ' ' TYR . 7.6 pt20 -151.77 88.44 4.23 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 110.313 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.476 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.3 Cg_endo -75.0 -2.07 12.06 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.498 1.788 . . . . 0.0 111.01 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -91.97 -12.34 33.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . 0.458 ' ND2' ' NE2' ' A' ' 116' ' ' GLN . 2.8 t-20 -67.23 118.67 10.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.439 ' O ' HD13 ' A' ' 123' ' ' LEU . 44.4 p -54.97 -48.91 72.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 110.396 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.431 ' CD2' ' H ' ' A' ' 121' ' ' HIS . 11.4 m-70 -49.26 -50.43 38.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.615 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.549 ' CD2' ' HG3' ' A' ' 116' ' ' GLN . 9.6 m-30 -67.62 -30.62 70.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 110.961 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.586 ' C ' ' CD2' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -71.49 -53.26 14.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.464 ' N ' ' CD1' ' A' ' 123' ' ' LEU . 3.1 tptt -59.01 -45.93 89.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.257 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.474 ' O ' ' HG3' ' A' ' 128' ' ' MET . 0.5 OUTLIER -55.39 -45.58 76.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.028 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.47 ' O ' ' OG1' ' A' ' 129' ' ' THR . 14.5 tp -74.27 -29.35 61.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.234 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 123' ' ' LEU . 3.1 tp10 -68.78 -57.47 5.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 110.324 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' MET . . . . . 0.494 ' SD ' ' N ' ' A' ' 129' ' ' THR . 3.6 ppp? -55.71 -37.61 68.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 111.049 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.576 HG21 ' CD2' ' A' ' 109' ' ' PHE . 0.2 OUTLIER -53.2 -34.31 56.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.405 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -43.64 -35.69 1.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 23.6 mtmt -114.42 44.92 1.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . 0.639 ' N ' ' CD ' ' A' ' 133' ' ' PRO . . . -63.28 -44.44 83.08 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . 0.639 ' CD ' ' N ' ' A' ' 132' ' ' ALA . 18.3 Cg_endo -75.01 -29.69 7.95 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.483 1.78 . . . . 0.0 111.002 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . 0.465 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 53.6 mm-40 -80.86 -47.24 14.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 110.3 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.557 ' O ' ' CB ' ' A' ' 139' ' ' ALA . 48.8 mt -51.13 -40.86 59.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' HIS . . . . . 0.579 ' HB2' ' CE2' ' A' ' 102' ' ' PHE . 60.2 t-80 -68.07 -44.51 76.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.593 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . 0.541 ' O ' ' CB ' ' A' ' 141' ' ' LYS . . . -61.72 -52.58 63.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 109.308 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.501 ' O ' ' CB ' ' A' ' 142' ' ' GLN . 0.1 OUTLIER -68.56 -26.89 65.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 0.0 110.304 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.557 ' CB ' ' O ' ' A' ' 135' ' ' LEU . . . -66.44 -51.6 55.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.151 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . 0.46 ' CE2' ' HA ' ' A' ' 93' ' ' PRO . 5.8 m-85 -81.69 -42.37 20.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.951 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.541 ' CB ' ' O ' ' A' ' 137' ' ' ALA . 0.3 OUTLIER -61.16 -48.07 83.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.157 . . . . 0.0 109.307 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . 0.501 ' CB ' ' O ' ' A' ' 138' ' ' GLU . 1.2 tm0? -85.67 131.34 34.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.305 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -40.82 140.93 1.03 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 2.8 tp 63.01 124.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 0.781 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 150.99 -60.5 0.41 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -136.25 -63.79 0.06 OUTLIER Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.04 165.63 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 0.779 . . . . 0.0 109.971 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 31.9 t-80 63.59 136.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.616 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -166.64 67.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 109.57 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.04 158.15 36.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.569 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -85.13 -63.87 1.25 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.571 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -173.57 134.66 0.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.577 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 12.3 p-80 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.625 179.965 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.6 ttm180 . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.31 -0.255 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.724 HG23 ' CD2' ' A' ' 44' ' ' LEU . 30.0 mt -66.6 -39.64 84.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.277 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.8 mt -61.38 -42.72 99.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.574 HD12 ' CD1' ' A' ' 16' ' ' ILE . 0.1 OUTLIER -53.99 -53.21 56.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.607 ' HB3' HG22 ' A' ' 40' ' ' VAL . 26.5 m-85 -63.91 -34.67 78.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 111.028 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -58.1 -59.9 4.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.273 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.463 ' HG3' ' N ' ' A' ' 16' ' ' ILE . 3.2 pt20 -50.56 -33.19 20.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 110.34 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.574 ' CD1' HD12 ' A' ' 12' ' ' LEU . 25.4 mt -71.34 -51.8 31.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.155 . . . . 0.0 109.313 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -51.23 -49.79 60.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.414 1.071 . . . . 0.0 110.274 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.435 ' O ' ' CB ' ' A' ' 22' ' ' ASN . 13.0 pt20 -64.24 -42.88 96.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 110.277 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.468 ' O ' ' CB ' ' A' ' 23' ' ' THR . 0.6 OUTLIER -64.53 -40.02 94.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.905 ' HB1' ' HB2' ' A' ' 37' ' ' TRP . . . -73.48 -57.51 3.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 109.345 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.565 ' HG3' ' CZ2' ' A' ' 37' ' ' TRP . 14.5 tt0 -52.88 -49.83 65.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.275 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.435 ' CB ' ' O ' ' A' ' 18' ' ' GLN . 16.1 t30 -62.73 -40.83 98.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.809 HG21 ' CG ' ' A' ' 33' ' ' ASN . 1.7 m -61.87 -24.79 67.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 110.361 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.571 ' HE1' HD21 ' A' ' 34' ' ' LEU . 7.9 t80 -51.95 -60.1 3.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.961 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.46 -28.4 69.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.64 -30.6 67.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.956 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.408 ' N ' ' O ' ' A' ' 23' ' ' THR . 1.9 t30 -169.46 90.39 0.56 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -1.91 11.84 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.507 1.793 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.898 ' O ' HG21 ' A' ' 70' ' ' ILE . 6.6 mt -89.01 -28.32 20.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -64.26 98.75 0.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.352 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.848 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . . . -71.98 -25.84 62.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 -63.41 -51.33 66.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.809 ' CG ' HG21 ' A' ' 23' ' ' THR . 1.0 OUTLIER -69.55 -32.82 71.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.283 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.885 HD22 ' O ' ' A' ' 63' ' ' LYS . 0.3 OUTLIER -66.93 -39.52 87.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 24.1 m -72.41 -50.46 26.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.399 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.61 ' HD2' ' HB2' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -60.62 -24.32 65.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.294 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.905 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . 14.4 t90 -67.63 -28.18 67.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 107.998 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.604 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -84.47 -55.03 2.81 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.488 1.118 . . . . 0.0 111.008 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -40.23 -44.75 3.03 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.607 HG22 ' HB3' ' A' ' 13' ' ' PHE . 1.3 p -67.46 -47.3 81.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 0.776 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.454 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 13.8 mt -48.36 -44.44 34.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.5 mt -65.48 -40.49 93.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -65.7 -57.23 8.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 110.327 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.724 ' CD2' HG23 ' A' ' 10' ' ' ILE . 5.9 mt -59.81 -29.07 67.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.3 m -61.93 -27.52 68.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.977 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -67.74 -44.34 77.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 110.263 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.618 ' HB3' HD11 ' A' ' 10' ' ' ILE . 52.2 m-85 -79.37 -32.56 43.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 40.5 m-70 -78.8 143.31 36.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.602 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 53' ' ' ALA . 0.4 OUTLIER -44.34 150.32 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 110.009 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.952 ' CG1' HD22 ' A' ' 91' ' ' LEU . 0.1 OUTLIER -51.33 -50.88 26.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.485 ' HA ' ' CE ' ' A' ' 54' ' ' LYS . 0.4 OUTLIER -44.82 -51.13 9.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.972 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.401 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 17.1 m-20 -76.01 -24.95 55.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.632 ' HB3' ' HA ' ' A' ' 50' ' ' ILE . . . -69.23 -42.4 75.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.275 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.517 ' CE ' HG23 ' A' ' 50' ' ' ILE . 5.1 mtmp? -62.71 -57.37 11.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.47 ' HG3' ' N ' ' A' ' 56' ' ' MET . 0.0 OUTLIER -56.06 -33.41 64.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.47 ' N ' ' HG3' ' A' ' 55' ' ' GLN . 16.1 mtp -70.62 -33.79 71.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.958 HG21 ' HB2' ' A' ' 88' ' ' PHE . 44.0 mt -72.75 -51.11 29.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -45.74 -54.14 8.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -65.92 -34.53 78.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 110.267 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.56 -29.4 67.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.328 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.494 HG12 ' CE1' ' A' ' 85' ' ' TYR . 0.4 OUTLIER -75.52 -59.36 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.919 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.47 ' N ' HG22 ' A' ' 61' ' ' ILE . 20.6 p -49.61 -31.13 10.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.466 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.885 ' O ' HD22 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -66.05 -46.06 79.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.341 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.604 ' CE1' ' HA3' ' A' ' 38' ' ' GLY . 23.1 m-85 -61.14 -39.34 89.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.989 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -48.74 -55.37 11.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.33 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.453 ' HA ' HD12 ' A' ' 69' ' ' LEU . 1.0 OUTLIER -58.86 -38.48 78.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.324 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.69 ' HB2' ' HB3' ' A' ' 34' ' ' LEU . . . -64.05 -40.98 97.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.78 HD21 HG23 ' A' ' 78' ' ' VAL . 9.4 mt -63.11 -28.84 70.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.453 HD12 ' HA ' ' A' ' 66' ' ' GLU . 0.6 OUTLIER -69.44 -38.73 77.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.898 HG21 ' O ' ' A' ' 29' ' ' LEU . 5.0 mt -72.79 -41.91 61.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.267 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -143.54 104.37 5.01 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -17.76 19.3 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.449 1.763 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.88 0.01 46.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.095 . . . . 0.0 109.342 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.91 77.51 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.281 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.11 -26.38 11.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.258 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.457 ' HG3' ' CE3' ' A' ' 79' ' ' TRP . 0.8 OUTLIER -70.08 -52.3 24.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.295 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.36 -32.64 39.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 109.323 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.911 HG11 ' HB2' ' A' ' 111' ' ' GLN . 20.5 t -74.56 -52.81 18.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.457 ' CE3' ' HG3' ' A' ' 76' ' ' GLU . 0.4 OUTLIER -59.19 -46.85 87.32 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.579 ' HB3' ' CZ ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -50.29 -53.1 31.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 108.315 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.526 HG21 ' CZ ' ' A' ' 108' ' ' PHE . 56.7 mt -51.93 -38.92 24.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.483 ' HA3' ' CE1' ' A' ' 109' ' ' PHE . . . -72.99 -42.87 43.0 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.47 1.106 . . . . 0.0 111.017 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -63.78 -29.51 70.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 0.761 . . . . 0.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.594 ' HB1' HG23 ' A' ' 57' ' ' ILE . . . -69.63 -54.99 11.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.13 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.494 ' CE1' HG12 ' A' ' 61' ' ' ILE . 21.0 m-30 -56.23 -46.67 79.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 33.8 m -55.38 -46.24 76.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 110.45 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 34.0 t -67.17 -51.42 53.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.017 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.958 ' HB2' HG21 ' A' ' 57' ' ' ILE . 44.2 t80 -55.35 -34.36 64.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 111.007 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.596 ' HB1' ' CE2' ' A' ' 102' ' ' PHE . . . -59.78 -51.58 69.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.409 ' O ' ' CE1' ' A' ' 140' ' ' TYR . 40.7 m-85 -55.07 -23.97 22.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 111.04 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.952 HD22 ' CG1' ' A' ' 50' ' ' ILE . 21.2 mt -90.73 -19.61 23.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.406 ' O ' ' NE2' ' A' ' 136' ' ' HIS . 0.9 OUTLIER -95.84 119.22 65.22 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.402 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.528 ' HA ' ' CE2' ' A' ' 140' ' ' TYR . 18.2 Cg_endo -75.06 -27.18 10.14 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.508 1.794 . . . . 0.0 110.984 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 95' ' ' GLU . 0.1 OUTLIER -59.48 85.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 93' ' ' PRO . 56.5 mt-10 -38.14 -47.31 1.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.2 m -53.27 -57.69 9.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.436 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -63.4 -48.8 76.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 110.291 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.43 -53.4 54.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 55.4 mttt -60.31 -51.26 70.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -49.32 -38.47 27.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.598 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -72.65 -52.22 16.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.803 ' HB3' ' HB1' ' A' ' 132' ' ' ALA . 8.4 m-85 -51.11 -42.21 60.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.09 -20.63 60.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.431 HD22 ' HE2' ' A' ' 108' ' ' PHE . 0.3 OUTLIER -75.98 -53.2 8.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.351 179.933 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.761 ' HB1' ' CZ ' ' A' ' 109' ' ' PHE . . . -51.39 -27.13 9.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.408 ' HA ' ' CD2' ' A' ' 109' ' ' PHE . 1.0 OUTLIER -64.73 -54.98 23.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.427 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -52.15 -28.1 16.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.629 ' HD1' HG13 ' A' ' 78' ' ' VAL . 15.5 m-85 -81.87 -44.72 16.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.955 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.761 ' CZ ' ' HB1' ' A' ' 105' ' ' ALA . 23.4 m-30 -54.09 -38.03 64.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 111.02 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -57.95 -26.52 62.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.333 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.911 ' HB2' HG11 ' A' ' 78' ' ' VAL . 17.6 mt-30 -81.09 -44.09 18.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.281 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.15 -53.59 56.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.253 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.734 HG12 ' HB3' ' A' ' 122' ' ' TYR . 15.2 m -62.42 -35.47 69.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.25 -52.52 9.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.342 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -63.07 -44.06 96.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.418 ' O ' ' CG ' ' A' ' 116' ' ' GLN . 1.6 tt0 -156.03 91.46 2.67 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.472 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.2 Cg_endo -74.98 -4.53 15.55 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.484 1.781 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -86.26 0.56 53.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.268 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -75.48 117.54 17.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 81.4 p -57.05 -36.12 70.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.422 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 6.0 m80 -64.03 -59.37 4.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.609 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.734 ' HB3' HG12 ' A' ' 113' ' ' VAL . 10.5 m-30 -54.32 -32.64 57.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.998 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.916 ' O ' HD22 ' A' ' 123' ' ' LEU . 0.0 OUTLIER -63.0 -49.72 73.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.713 ' N ' HD13 ' A' ' 123' ' ' LEU . 3.3 tptt -61.99 -43.07 99.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.47 -39.92 81.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.967 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.467 ' O ' HG23 ' A' ' 129' ' ' THR . 5.7 tp -73.23 -56.06 5.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -54.1 -31.42 51.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.241 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 19.7 mmm -58.56 -32.14 68.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.951 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.578 ' HA ' ' HB2' ' A' ' 132' ' ' ALA . 17.8 p -68.24 -30.33 69.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 110.386 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -42.11 -40.62 2.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.87 46.12 2.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.803 ' HB1' ' HB3' ' A' ' 102' ' ' PHE . . . -63.8 -50.07 72.78 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 133' ' ' PRO . . . . . 0.721 ' HD3' ' HB3' ' A' ' 132' ' ' ALA . 18.3 Cg_endo -75.0 -25.09 12.2 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.488 1.783 . . . . 0.0 111.019 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' GLN . . . . . 0.469 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 30.7 mm-40 -80.37 -49.95 10.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.684 ' O ' ' HB2' ' A' ' 139' ' ' ALA . 20.7 mt -49.92 -41.25 45.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 136' ' ' HIS . . . . . 0.55 ' CD2' ' CE1' ' A' ' 140' ' ' TYR . 51.9 t-80 -68.33 -44.45 75.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.66 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.525 ' O ' ' CB ' ' A' ' 141' ' ' LYS . . . -61.87 -52.3 64.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.469 ' CG ' ' O ' ' A' ' 134' ' ' GLN . 0.0 OUTLIER -68.52 -27.69 66.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.582 1.176 . . . . 0.0 110.274 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.684 ' HB2' ' O ' ' A' ' 135' ' ' LEU . . . -66.57 -50.39 63.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 140' ' ' TYR . . . . . 0.55 ' CE1' ' CD2' ' A' ' 136' ' ' HIS . 5.5 m-85 -81.52 -32.59 32.27 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.479 1.112 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 141' ' ' LYS . . . . . 0.525 ' CB ' ' O ' ' A' ' 137' ' ' ALA . 0.2 OUTLIER -67.14 -46.9 72.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.283 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.709 HG23 ' CD2' ' A' ' 44' ' ' LEU . 21.7 mt -65.73 -40.59 88.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.513 HD23 ' N ' ' A' ' 11' ' ' LEU . 4.7 mt -59.05 -43.16 91.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.877 HD12 HD12 ' A' ' 16' ' ' ILE . 0.2 OUTLIER -57.71 -49.88 75.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.646 ' HD1' HG23 ' A' ' 40' ' ' VAL . 14.5 m-85 -64.03 -27.02 68.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.967 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -67.55 -59.86 3.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.256 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.477 ' HG3' ' N ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -51.78 -28.07 14.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.088 . . . . 0.0 110.308 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.877 HD12 HD12 ' A' ' 12' ' ' LEU . 8.2 mt -71.8 -52.94 22.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.447 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 11.6 ttp180 -49.16 -59.33 3.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 110.339 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.424 ' HG3' ' O ' ' A' ' 15' ' ' GLN . 0.3 OUTLIER -53.5 -39.84 64.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.276 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.469 ' O ' ' CB ' ' A' ' 23' ' ' THR . 0.2 OUTLIER -64.98 -31.73 73.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.27 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.774 ' HB1' ' CG ' ' A' ' 37' ' ' TRP . . . -67.11 -46.0 75.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.65 ' HG2' ' CZ2' ' A' ' 37' ' ' TRP . 1.9 mt-10 -62.55 -41.06 98.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.285 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -75.63 -40.47 56.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.266 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.532 HG21 ' CG ' ' A' ' 33' ' ' ASN . 2.7 m -59.92 -23.08 63.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.391 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.446 ' O ' ' CD ' ' A' ' 28' ' ' PRO . 0.1 OUTLIER -55.68 -60.59 3.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 111.036 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.59 -29.15 70.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.6 t -70.74 -39.69 73.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.987 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.407 ' N ' ' O ' ' A' ' 23' ' ' THR . 0.7 OUTLIER -169.24 86.12 0.62 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.446 ' CD ' ' O ' ' A' ' 24' ' ' TYR . 18.2 Cg_endo -75.07 0.61 8.73 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.489 1.784 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.812 ' O ' HG21 ' A' ' 70' ' ' ILE . 15.5 mt -97.21 -10.83 25.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.255 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.491 ' O ' ' CB ' ' A' ' 34' ' ' LEU . 0.8 OUTLIER -68.48 99.55 0.98 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.671 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . . . -70.25 -33.95 72.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -64.03 -55.87 19.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.532 ' CG ' HG21 ' A' ' 23' ' ' THR . 0.3 OUTLIER -67.68 -35.21 78.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 109.319 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.913 HD21 ' HB3' ' A' ' 66' ' ' GLU . 0.3 OUTLIER -64.65 -54.78 26.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.5 m -57.73 -45.67 85.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.392 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.62 -27.06 57.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.347 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.774 ' CG ' ' HB1' ' A' ' 20' ' ' ALA . 5.6 t90 -59.96 -26.65 66.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 108.017 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.585 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -85.16 -61.26 1.75 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.579 1.175 . . . . 0.0 110.982 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -37.53 -44.23 1.22 Allowed Glycine 0 CA--C 1.529 0.953 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.646 HG23 ' HD1' ' A' ' 13' ' ' PHE . 4.8 p -67.5 -50.92 57.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.467 0.745 . . . . 0.0 109.263 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.55 HD13 ' CG ' ' A' ' 59' ' ' GLU . 38.4 mt -49.13 -43.47 41.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.571 HD13 ' OD1' ' A' ' 83' ' ' ASN . 25.8 mt -63.93 -36.94 85.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -65.68 -59.2 4.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.272 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.709 ' CD2' HG23 ' A' ' 10' ' ' ILE . 16.4 mt -62.08 -25.74 67.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.77 -42.71 68.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.031 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -58.22 -36.47 73.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.707 ' CE2' ' CE1' ' A' ' 48' ' ' HIS . 0.0 OUTLIER -80.47 -33.1 36.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.994 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.707 ' CE1' ' CE2' ' A' ' 47' ' ' PHE . 3.2 m80 -80.42 137.05 36.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.621 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.9 m -47.43 154.33 0.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.028 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.942 ' CG1' HD22 ' A' ' 91' ' ' LEU . 0.2 OUTLIER -51.78 -47.54 39.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 28.3 t -44.82 -56.32 4.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.997 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.0 -39.14 66.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.562 ' HB3' ' HA ' ' A' ' 50' ' ' ILE . . . -46.65 -54.26 9.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.113 . . . . 0.0 109.245 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.06 -58.17 6.08 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -54.09 -42.93 69.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 86.2 mtp -63.26 -32.28 73.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.966 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.943 HG21 ' HB2' ' A' ' 88' ' ' PHE . 18.9 mt -72.76 -49.28 41.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 109.323 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.523 ' O ' HG23 ' A' ' 62' ' ' THR . 5.3 mt-30 -48.21 -53.9 15.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.36 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.55 ' CG ' HD13 ' A' ' 41' ' ' LEU . 3.4 pt-20 -63.12 -35.56 80.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 110.265 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.4 ' O ' ' CD2' ' A' ' 64' ' ' PHE . . . -59.65 -28.88 67.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.25 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.566 HG12 ' CE1' ' A' ' 85' ' ' TYR . 0.7 OUTLIER -78.05 -55.37 10.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.523 HG23 ' O ' ' A' ' 58' ' ' GLN . 50.6 p -50.56 -27.82 7.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.405 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.441 ' HG3' ' CD1' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -71.9 -47.92 49.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.585 ' CE1' ' HA3' ' A' ' 38' ' ' GLY . 22.8 m-85 -58.55 -43.54 89.34 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 111.023 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -48.96 -55.22 12.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 110.316 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.913 ' HB3' HD21 ' A' ' 34' ' ' LEU . 2.9 tp10 -60.39 -45.68 92.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.314 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.863 ' HB2' ' HG ' ' A' ' 34' ' ' LEU . . . -55.52 -44.79 76.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.588 HD21 HG23 ' A' ' 78' ' ' VAL . 6.5 mt -64.1 -33.21 75.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.75 -27.41 69.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.812 HG21 ' O ' ' A' ' 29' ' ' LEU . 4.4 mt -80.05 -39.8 19.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -155.4 114.58 2.28 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -5.0 16.22 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.539 1.81 . . . . 0.0 110.992 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 75' ' ' ASP . 0.9 OUTLIER -82.51 -6.94 59.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.2 tptp -66.93 73.27 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 109.356 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' A' ' 75' ' ' ASP . 0.7 OUTLIER -52.16 -34.11 43.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.427 ' HG3' ' CE3' ' A' ' 79' ' ' TRP . 40.0 tt0 -64.11 -49.24 72.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.306 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.52 -32.31 39.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.963 HG11 ' HB2' ' A' ' 111' ' ' GLN . 28.5 t -74.49 -52.63 19.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.427 ' CE3' ' HG3' ' A' ' 76' ' ' GLU . 0.5 OUTLIER -59.11 -48.24 82.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 108.01 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.578 ' HB3' ' CZ ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -50.74 -51.92 45.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 108.316 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.572 HG21 ' CZ ' ' A' ' 108' ' ' PHE . 41.5 mt -51.97 -45.17 40.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.353 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -66.62 -41.21 94.11 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.571 ' OD1' HD13 ' A' ' 42' ' ' LEU . 16.6 t-20 -64.4 -37.46 87.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 0.738 . . . . 0.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.56 ' HB1' HG23 ' A' ' 57' ' ' ILE . . . -62.6 -55.18 29.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.566 ' CE1' HG12 ' A' ' 61' ' ' ILE . 21.3 m-30 -57.18 -42.34 80.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.168 . . . . 0.0 110.994 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.681 HG23 ' CE1' ' A' ' 102' ' ' PHE . 41.7 m -59.26 -51.93 67.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 110.445 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.0 m -61.63 -50.6 71.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.967 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.943 ' HB2' HG21 ' A' ' 57' ' ' ILE . 41.0 t80 -55.31 -30.98 61.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 111.029 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 86' ' ' THR . . . -64.08 -48.91 74.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.44 ' O ' ' CE1' ' A' ' 140' ' ' TYR . 35.0 m-85 -54.74 -25.99 31.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.942 HD22 ' CG1' ' A' ' 50' ' ' ILE . 7.7 mt -89.25 -18.75 26.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.236 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.2 m -93.92 118.64 67.31 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.37 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.558 ' HA ' ' CE2' ' A' ' 140' ' ' TYR . 18.2 Cg_endo -75.01 -27.46 9.97 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.513 1.796 . . . . 0.0 111.009 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 95' ' ' GLU . 13.8 m-20 -59.36 85.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 93' ' ' PRO . 43.1 mt-10 -38.81 -47.68 1.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.337 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.505 HG23 ' N ' ' A' ' 97' ' ' GLU . 14.0 t -52.86 -53.48 48.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 110.391 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.505 ' N ' HG23 ' A' ' 96' ' ' THR . 1.8 mt-10 -66.96 -49.6 64.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.253 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -53.95 -53.16 56.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.44 -49.82 76.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.2 -43.54 61.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.617 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -64.09 -54.02 40.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.897 ' HB3' ' HB1' ' A' ' 132' ' ' ALA . 5.4 m-85 -51.65 -41.85 61.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.1 . . . . 0.0 110.981 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -73.01 -19.61 61.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.485 HD23 ' HG2' ' A' ' 107' ' ' GLN . 0.0 OUTLIER -78.69 -47.51 16.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.939 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.692 ' HB1' ' CZ ' ' A' ' 109' ' ' PHE . . . -59.09 -23.96 62.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.454 ' HA ' ' CD2' ' A' ' 109' ' ' PHE . 2.2 m -61.67 -55.19 33.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.388 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.485 ' HG2' HD23 ' A' ' 104' ' ' LEU . 0.0 OUTLIER -55.35 -23.9 26.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 110.305 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.758 ' HD1' HG13 ' A' ' 78' ' ' VAL . 8.3 m-85 -83.01 -44.93 14.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.164 . . . . 0.0 110.964 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.692 ' CZ ' ' HB1' ' A' ' 105' ' ' ALA . 21.0 m-30 -54.08 -30.09 47.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 110.996 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.93 -35.27 76.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.142 . . . . 0.0 110.327 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.963 ' HB2' HG11 ' A' ' 78' ' ' VAL . 33.9 mt-30 -77.0 -37.51 54.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 110.325 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.493 ' O ' ' CD2' ' A' ' 122' ' ' TYR . . . -62.61 -53.16 58.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.873 HG12 ' HB3' ' A' ' 122' ' ' TYR . 5.0 m -69.79 -36.16 68.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.402 ' OD1' ' OE2' ' A' ' 115' ' ' GLU . 0.0 OUTLIER -44.62 -44.41 8.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.407 ' O ' ' OE1' ' A' ' 116' ' ' GLN . 60.7 mm-40 -75.1 -43.64 51.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 110.312 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.407 ' OE1' ' O ' ' A' ' 115' ' ' GLU . 13.6 mm100 -142.51 83.84 11.6 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.296 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.478 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.5 Cg_endo -74.96 -2.72 12.91 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.514 1.797 . . . . 0.0 111.046 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -97.42 -12.06 23.16 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -65.49 127.63 32.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 53.1 p -57.11 -54.26 48.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 110.381 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 7.2 m80 -50.57 -58.61 5.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.623 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.873 ' HB3' HG12 ' A' ' 113' ' ' VAL . 9.6 m-30 -55.68 -25.58 40.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 111.087 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.872 ' O ' HD22 ' A' ' 123' ' ' LEU . 0.0 OUTLIER -75.43 -51.72 12.41 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.76 ' N ' HD13 ' A' ' 123' ' ' LEU . 0.0 OUTLIER -60.89 -45.05 96.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.87 -36.18 72.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.036 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 45.9 tp -73.21 -44.96 58.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -67.52 -33.8 75.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 110.323 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' MET . . . . . 0.413 ' N ' ' O ' ' A' ' 124' ' ' LYS . 0.0 OUTLIER -50.3 -30.42 11.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.606 ' HA ' ' HB2' ' A' ' 132' ' ' ALA . 29.9 p -67.91 -29.6 68.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.408 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -48.51 -37.08 16.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 10.4 mttm -124.32 42.63 3.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.897 ' HB1' ' HB3' ' A' ' 102' ' ' PHE . . . -63.16 -54.35 46.29 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 133' ' ' PRO . . . . . 0.855 ' HD3' ' HB3' ' A' ' 132' ' ' ALA . 18.4 Cg_endo -74.96 -22.72 14.59 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.515 1.797 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' GLN . . . . . 0.47 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 5.4 tp-100 -80.26 -51.74 8.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.331 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.698 ' O ' ' HB2' ' A' ' 139' ' ' ALA . 45.1 mt -48.93 -41.44 33.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 136' ' ' HIS . . . . . 0.482 ' CD2' ' CE1' ' A' ' 140' ' ' TYR . 43.9 t-80 -68.72 -44.48 73.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.592 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.524 ' O ' ' CB ' ' A' ' 141' ' ' LYS . . . -61.9 -52.09 65.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.47 ' CG ' ' O ' ' A' ' 134' ' ' GLN . 0.0 OUTLIER -68.69 -27.38 65.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.318 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.698 ' HB2' ' O ' ' A' ' 135' ' ' LEU . . . -65.9 -50.07 65.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 140' ' ' TYR . . . . . 0.558 ' CE2' ' HA ' ' A' ' 93' ' ' PRO . 5.6 m-85 -82.77 -32.29 27.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.957 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 141' ' ' LYS . . . . . 0.524 ' CB ' ' O ' ' A' ' 137' ' ' ALA . 0.0 OUTLIER -68.16 -48.1 66.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.284 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.487 ' HG2' ' CE2' ' A' ' 13' ' ' PHE . 13.7 ttm105 . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.675 HG23 ' CD2' ' A' ' 44' ' ' LEU . 40.5 mt -59.83 -42.46 89.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.406 ' N ' HD23 ' A' ' 11' ' ' LEU . 7.4 mt -53.62 -33.03 53.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.879 HD12 HD12 ' A' ' 16' ' ' ILE . 0.2 OUTLIER -72.84 -47.65 44.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.614 ' HD1' HG23 ' A' ' 40' ' ' VAL . 11.1 m-85 -63.88 -38.16 90.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.961 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.514 ' HG2' HD21 ' A' ' 44' ' ' LEU . 4.3 mm-40 -56.94 -60.14 4.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.458 ' CG ' ' O ' ' A' ' 12' ' ' LEU . 9.3 pt20 -50.44 -32.7 18.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 110.321 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.879 HD12 HD12 ' A' ' 12' ' ' LEU . 19.5 mt -71.37 -53.43 21.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.517 ' O ' ' CB ' ' A' ' 21' ' ' GLU . 9.6 ttp180 -56.32 -37.94 70.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.34 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.407 ' HB2' HH21 ' A' ' 17' ' ' ARG . 12.7 tp60 -67.62 -48.81 65.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 110.292 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.502 ' O ' ' CB ' ' A' ' 23' ' ' THR . 0.5 OUTLIER -67.44 -43.3 81.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.798 ' HB1' ' HB2' ' A' ' 37' ' ' TRP . . . -66.85 -51.48 55.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.556 ' HG3' ' CZ2' ' A' ' 37' ' ' TRP . 17.9 tt0 -61.05 -41.52 96.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.313 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -75.5 -26.01 57.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.502 ' CB ' ' O ' ' A' ' 19' ' ' ASP . 1.1 m -66.19 -24.59 66.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.377 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -52.72 -60.46 3.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.948 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.17 -27.9 69.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.06 -38.24 72.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.005 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 23' ' ' THR . 0.4 OUTLIER -169.38 91.8 0.56 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 109.336 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 0.6 8.69 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.512 1.796 . . . . 0.0 110.982 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.87 ' O ' HG21 ' A' ' 70' ' ' ILE . 7.8 mt -88.53 -30.28 19.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.16 99.13 0.25 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.343 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.821 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . . . -72.81 -37.71 67.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -50.88 -54.77 21.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.427 ' CG ' HG21 ' A' ' 23' ' ' THR . 0.8 OUTLIER -66.18 -37.11 84.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.705 ' HB3' ' HB2' ' A' ' 67' ' ' ALA . 0.5 OUTLIER -57.76 -56.21 24.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.458 ' OG1' ' HB2' ' A' ' 77' ' ' ALA . 1.7 m -58.83 -36.91 75.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.374 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.47 -27.24 64.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.798 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . 13.0 t90 -67.54 -26.95 66.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 107.96 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.576 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -83.53 -58.06 2.35 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.547 1.154 . . . . 0.0 110.975 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 38' ' ' GLY . . . -37.69 -45.73 1.51 Allowed Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.614 HG23 ' HD1' ' A' ' 13' ' ' PHE . 0.8 OUTLIER -67.32 -46.83 82.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 0.748 . . . . 0.0 109.297 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.548 HD11 ' OE2' ' A' ' 59' ' ' GLU . 12.5 mt -48.74 -44.3 38.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 14.0 mt -65.5 -38.2 89.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.4 ' HA ' ' OE1' ' A' ' 43' ' ' GLU . 5.1 mm-40 -65.86 -58.51 5.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.262 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.675 ' CD2' HG23 ' A' ' 10' ' ' ILE . 3.3 mt -61.86 -26.43 68.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.6 m -58.46 -36.16 73.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.0 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.46 ' HG2' ' N ' ' A' ' 47' ' ' PHE . 4.7 pt20 -67.95 -37.0 81.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.33 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.46 ' N ' ' HG2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -80.65 -19.33 45.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.978 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -78.78 -92.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.582 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.1 t 172.04 148.83 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.967 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.947 ' CG1' HD22 ' A' ' 91' ' ' LEU . 0.1 OUTLIER -45.57 -50.37 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.526 ' HA ' ' CE ' ' A' ' 54' ' ' LYS . 41.1 t -43.45 -56.33 3.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.992 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -77.47 -43.57 31.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.636 ' HB3' ' HA ' ' A' ' 50' ' ' ILE . . . -45.43 -51.32 11.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.526 ' CE ' ' HA ' ' A' ' 51' ' ' SER . 6.0 mtmp? -48.75 -46.08 40.62 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 109.236 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -73.79 -50.62 19.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 110.284 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 98.2 mtp -53.63 -29.73 39.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 111.02 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.865 HG21 ' HB2' ' A' ' 88' ' ' PHE . 20.3 mt -72.73 -50.75 31.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.548 ' O ' HG23 ' A' ' 62' ' ' THR . 6.3 mt-30 -45.45 -54.82 6.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.149 . . . . 0.0 110.272 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.548 ' OE2' HD11 ' A' ' 41' ' ' LEU . 3.9 pt-20 -64.79 -36.53 84.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 110.276 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.426 ' O ' ' CD2' ' A' ' 64' ' ' PHE . . . -59.53 -28.74 67.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.417 HG22 ' N ' ' A' ' 62' ' ' THR . 0.6 OUTLIER -81.13 -56.26 6.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.288 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.548 HG23 ' O ' ' A' ' 58' ' ' GLN . 70.3 p -49.78 -25.94 3.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.414 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.671 ' O ' HD22 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -73.78 -48.77 29.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.576 ' CE1' ' HA3' ' A' ' 38' ' ' GLY . 22.4 m-85 -56.52 -44.22 80.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -50.78 -55.42 16.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.311 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.451 ' HA ' HD12 ' A' ' 69' ' ' LEU . 1.5 tp10 -56.43 -36.77 69.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.577 1.173 . . . . 0.0 110.301 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.726 ' HA ' HD12 ' A' ' 70' ' ' ILE . . . -64.81 -46.51 81.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.813 HD21 HG23 ' A' ' 78' ' ' VAL . 16.3 mt -57.48 -32.86 67.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.451 HD12 ' HA ' ' A' ' 66' ' ' GLU . 0.7 OUTLIER -64.69 -33.73 76.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.137 . . . . 0.0 109.341 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.87 HG21 ' O ' ' A' ' 29' ' ' LEU . 6.3 mt -74.78 -44.08 46.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -151.8 112.29 2.93 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.128 . . . . 0.0 109.297 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -7.43 19.11 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.485 1.782 . . . . 0.0 110.984 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 75' ' ' ASP . 1.3 mttt -82.81 -7.21 59.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.407 ' HB3' ' HB3' ' A' ' 77' ' ' ALA . 2.3 tptt -65.72 74.9 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.4 OUTLIER -51.9 -28.48 16.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.254 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.509 ' HG3' ' CE3' ' A' ' 79' ' ' TRP . 25.4 tt0 -68.7 -51.24 43.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.449 1.093 . . . . 0.0 110.301 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.458 ' HB2' ' OG1' ' A' ' 35' ' ' THR . . . -52.26 -32.28 36.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.333 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.965 HG11 ' HB2' ' A' ' 111' ' ' GLN . 19.1 t -74.68 -52.71 18.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.509 ' CE3' ' HG3' ' A' ' 76' ' ' GLU . 0.4 OUTLIER -59.26 -46.08 89.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 108.022 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.561 ' HB3' ' CZ ' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -50.06 -52.63 32.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 108.306 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.697 HG21 ' CZ ' ' A' ' 108' ' ' PHE . 66.8 mt -51.99 -37.21 21.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.486 ' HA3' ' CE1' ' A' ' 109' ' ' PHE . . . -72.57 -43.02 45.82 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.524 1.14 . . . . 0.0 110.992 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -64.43 -34.45 78.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 0.775 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.496 ' HB1' HG23 ' A' ' 57' ' ' ILE . . . -69.83 -54.56 13.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.508 ' CE2' HD13 ' A' ' 104' ' ' LEU . 4.5 m-85 -57.89 -46.55 84.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.977 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.476 HG23 ' CE1' ' A' ' 102' ' ' PHE . 53.1 m -55.83 -46.84 78.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 110.368 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 39.2 m -66.7 -51.62 53.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 110.018 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.865 ' HB2' HG21 ' A' ' 57' ' ' ILE . 30.6 t80 -53.74 -34.01 57.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.58 -50.39 73.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -56.09 -25.25 44.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.947 HD22 ' CG1' ' A' ' 50' ' ' ILE . 0.6 OUTLIER -92.16 16.99 10.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.323 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.477 HG22 ' HB2' ' A' ' 98' ' ' ALA . 0.9 OUTLIER -133.88 118.17 14.22 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.398 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.502 ' HA ' ' CE2' ' A' ' 140' ' ' TYR . 18.3 Cg_endo -75.02 -24.96 12.28 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.479 1.778 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.87 85.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 93' ' ' PRO . 92.4 mt-10 -39.16 -47.61 1.62 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.291 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.487 HG23 ' N ' ' A' ' 97' ' ' GLU . 15.2 t -52.81 -52.83 55.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 110.402 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.487 ' N ' HG23 ' A' ' 96' ' ' THR . 3.4 mt-10 -68.49 -49.03 62.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.289 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.477 ' HB2' HG22 ' A' ' 92' ' ' THR . . . -53.75 -52.98 58.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.248 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.1 tttm -60.26 -51.88 67.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -49.52 -43.65 45.72 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.098 . . . . 0.0 109.652 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -62.95 -56.63 15.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.848 ' HB3' ' HB1' ' A' ' 132' ' ' ALA . 8.6 m-85 -50.98 -41.46 59.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 111.01 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -72.53 -20.5 61.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.508 HD13 ' CE2' ' A' ' 85' ' ' TYR . 0.0 OUTLIER -77.13 -48.32 18.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.682 ' HB1' ' CZ ' ' A' ' 109' ' ' PHE . . . -59.97 -24.33 64.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.7 m -63.22 -54.79 31.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.137 . . . . 0.0 110.447 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.427 ' HG2' HD23 ' A' ' 104' ' ' LEU . 0.7 OUTLIER -56.87 -23.01 41.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.246 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.697 ' CZ ' HG21 ' A' ' 81' ' ' ILE . 13.7 m-85 -82.24 -47.93 11.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.682 ' CZ ' ' HB1' ' A' ' 105' ' ' ALA . 21.2 m-85 -53.83 -37.04 63.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 0.0 110.991 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -56.04 -29.6 60.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.29 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.965 ' HB2' HG11 ' A' ' 78' ' ' VAL . 38.2 mt-30 -80.79 -43.19 20.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 110.307 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.69 -44.34 97.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.769 HG12 ' HB3' ' A' ' 122' ' ' TYR . 5.7 m -71.63 -37.64 64.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.81 -49.09 15.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.341 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -64.71 -40.94 96.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 110.246 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -160.06 90.69 1.78 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 110.304 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.465 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.0 Cg_endo -75.07 -3.53 14.05 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.512 1.796 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -88.44 -2.55 58.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -74.1 116.82 15.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 66.5 p -58.2 -23.79 56.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 110.383 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 3.0 m80 -71.61 -59.13 2.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.589 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.769 ' HB3' HG12 ' A' ' 113' ' ' VAL . 7.2 m-30 -60.88 -35.17 75.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 111.017 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.92 ' O ' HD22 ' A' ' 123' ' ' LEU . 0.0 OUTLIER -55.48 -46.03 76.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.784 ' N ' HD13 ' A' ' 123' ' ' LEU . 1.7 tptm -63.36 -41.08 98.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' SER . . . . . 0.528 ' O ' HG23 ' A' ' 129' ' ' THR . 0.6 OUTLIER -58.63 -40.34 83.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.962 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 16.6 tp -72.59 -42.89 64.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.258 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.81 -32.91 74.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.32 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 31.1 mmm -58.72 -32.8 69.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.683 ' HA ' ' HB2' ' A' ' 132' ' ' ALA . 15.8 p -68.62 -33.71 74.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.385 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -42.06 -39.86 2.08 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -125.29 44.87 2.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.848 ' HB1' ' HB3' ' A' ' 102' ' ' PHE . . . -64.24 -51.14 63.77 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 133' ' ' PRO . . . . . 0.753 ' HD3' ' HB3' ' A' ' 132' ' ' ALA . 18.4 Cg_endo -75.01 -25.06 12.2 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.457 1.767 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' GLN . . . . . 0.44 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 64.2 mm-40 -80.27 -50.78 9.73 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 110.292 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.708 ' O ' ' HB2' ' A' ' 139' ' ' ALA . 40.5 mt -48.98 -39.16 25.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 136' ' ' HIS . . . . . 0.638 ' CD2' ' CE1' ' A' ' 140' ' ' TYR . 48.3 t-80 -70.24 -44.74 67.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.569 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.522 ' O ' ' CB ' ' A' ' 141' ' ' LYS . . . -61.77 -51.77 66.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.466 ' CG ' ' HA ' ' A' ' 135' ' ' LEU . 0.1 OUTLIER -68.44 -27.58 66.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.292 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.708 ' HB2' ' O ' ' A' ' 135' ' ' LEU . . . -66.61 -50.3 63.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 140' ' ' TYR . . . . . 0.638 ' CE1' ' CD2' ' A' ' 136' ' ' HIS . 5.2 m-85 -81.5 -35.5 30.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 110.962 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 141' ' ' LYS . . . . . 0.522 ' CB ' ' O ' ' A' ' 137' ' ' ALA . 0.1 OUTLIER -62.29 -47.63 83.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.288 -179.978 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.457 ' CG ' ' CE2' ' A' ' 13' ' ' PHE . 9.9 ttm180 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.628 HG23 ' CD2' ' A' ' 44' ' ' LEU . 72.4 mt -59.09 -44.71 92.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 0.0 109.339 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.51 HD23 ' N ' ' A' ' 11' ' ' LEU . 5.2 mt -55.24 -40.33 70.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.579 ' CD1' HD11 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -61.85 -49.15 77.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.51 ' HD1' HG23 ' A' ' 40' ' ' VAL . 11.3 m-85 -63.79 -26.81 68.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -66.24 -53.26 39.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 110.292 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.523 ' HG3' ' N ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -57.75 -29.81 65.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.266 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.579 HD11 ' CD1' ' A' ' 12' ' ' LEU . 55.9 mt -71.63 -50.76 37.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.0 ttm180 -50.67 -47.17 58.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.268 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.436 ' HG3' ' N ' ' A' ' 19' ' ' ASP . 19.0 pt20 -67.25 -43.86 80.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.329 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.46 ' O ' ' CB ' ' A' ' 23' ' ' THR . 0.2 OUTLIER -64.62 -40.39 95.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.952 ' HB1' ' HB2' ' A' ' 37' ' ' TRP . . . -73.52 -51.46 16.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.578 ' HG3' ' CZ2' ' A' ' 37' ' ' TRP . 16.1 tt0 -58.94 -45.59 90.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 110.347 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 21.0 t30 -66.0 -52.15 51.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.266 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.46 ' CB ' ' O ' ' A' ' 19' ' ' ASP . 16.3 m -53.58 -23.84 12.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.4 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.429 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 6.0 t80 -52.46 -56.93 11.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.69 -32.36 70.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.352 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.48 -21.28 62.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.029 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 23' ' ' THR . 1.8 m120 -169.66 82.58 0.63 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -1.75 11.63 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.52 1.8 . . . . 0.0 111.036 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.721 ' O ' HG21 ' A' ' 70' ' ' ILE . 9.3 mt -100.47 8.43 43.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -90.49 98.74 11.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.692 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . . . -69.7 -24.3 63.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.243 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -72.97 -49.71 27.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.425 ' OD1' ' HA ' ' A' ' 20' ' ' ALA . 7.8 t-20 -64.35 -38.02 89.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.796 ' HB3' ' HB2' ' A' ' 67' ' ' ALA . 0.7 OUTLIER -64.01 -48.69 75.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.411 HG21 ' HB3' ' A' ' 76' ' ' GLU . 62.4 m -60.35 -39.37 86.91 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.51 1.131 . . . . 0.0 110.415 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.3 ttm180 -70.48 -47.2 61.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.301 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.952 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . 14.3 t90 -50.08 -27.12 5.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 107.993 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.579 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -84.9 -58.2 2.16 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.515 1.135 . . . . 0.0 110.994 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -40.22 -43.95 2.82 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.51 HG23 ' HD1' ' A' ' 13' ' ' PHE . 1.0 OUTLIER -67.37 -48.1 78.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.498 0.763 . . . . 0.0 109.341 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.488 HD22 ' SD ' ' A' ' 56' ' ' MET . 14.0 mt -48.22 -42.84 31.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.6 mt -65.53 -37.94 88.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -65.69 -58.89 4.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.276 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.628 ' CD2' HG23 ' A' ' 10' ' ' ILE . 7.6 mt -61.99 -25.37 67.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.89 -37.59 85.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.981 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.464 ' HG2' ' N ' ' A' ' 47' ' ' PHE . 5.2 pt20 -62.18 -37.06 83.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 110.32 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.723 ' CZ ' ' CE1' ' A' ' 48' ' ' HIS . 0.0 OUTLIER -80.73 -31.11 36.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.723 ' CE1' ' CZ ' ' A' ' 47' ' ' PHE . 14.0 m-70 -79.57 148.81 31.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.579 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 53' ' ' ALA . 49.1 m -51.37 158.71 0.8 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 110.04 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.903 ' CG1' HD22 ' A' ' 91' ' ' LEU . 0.2 OUTLIER -53.54 -48.67 58.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.277 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.8 -56.39 10.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 110.004 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.497 ' O ' ' CG ' ' A' ' 56' ' ' MET . 21.6 m-20 -69.1 -24.87 64.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.499 ' HB3' ' HA ' ' A' ' 50' ' ' ILE . . . -67.25 -48.7 66.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.484 ' CD ' HG23 ' A' ' 50' ' ' ILE . 0.3 OUTLIER -59.32 -58.71 7.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.264 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.42 ' HG2' ' O ' ' A' ' 52' ' ' ASP . 1.9 pt20 -53.9 -39.74 66.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 110.327 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.497 ' CG ' ' O ' ' A' ' 52' ' ' ASP . 8.0 mmm -70.49 -33.17 70.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 111.0 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.859 HG21 ' HB2' ' A' ' 88' ' ' PHE . 19.3 mt -72.97 -46.85 50.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.422 ' O ' HG23 ' A' ' 62' ' ' THR . 1.9 mt-30 -49.31 -54.95 14.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 110.322 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.541 ' HG3' ' HZ1' ' A' ' 63' ' ' LYS . 4.3 pt-20 -62.38 -34.73 77.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.274 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.453 ' N ' ' HG2' ' A' ' 59' ' ' GLU . . . -59.73 -30.01 68.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.346 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -79.56 -54.31 11.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.244 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.422 HG23 ' O ' ' A' ' 58' ' ' GLN . 72.2 p -49.93 -30.75 10.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 110.379 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.735 ' O ' HD22 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -69.46 -49.17 57.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.579 ' CE1' ' HA3' ' A' ' 38' ' ' GLY . 22.4 m-85 -56.17 -42.44 77.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -49.36 -55.3 13.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.108 . . . . 0.0 110.297 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.526 ' HA ' HD12 ' A' ' 69' ' ' LEU . 2.7 tp10 -60.2 -34.02 73.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 110.3 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.796 ' HB2' ' HB3' ' A' ' 34' ' ' LEU . . . -64.81 -44.77 88.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.556 HD21 HG23 ' A' ' 78' ' ' VAL . 12.7 mt -59.72 -28.77 67.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.526 HD12 ' HA ' ' A' ' 66' ' ' GLU . 0.8 OUTLIER -70.07 -33.98 72.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.721 HG21 ' O ' ' A' ' 29' ' ' LEU . 6.0 mt -74.5 -45.38 45.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -145.95 111.32 4.45 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -13.69 21.45 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.482 1.78 . . . . 0.0 110.994 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.5 ptmt -82.77 1.25 39.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.0 tptp -73.44 70.86 1.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.405 ' CG ' ' CB ' ' A' ' 115' ' ' GLU . 0.5 OUTLIER -51.59 -31.91 26.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 109.276 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.468 ' HG3' ' CE3' ' A' ' 79' ' ' TRP . 3.7 tp10 -62.97 -47.69 82.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.269 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.4 -33.02 58.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.967 HG11 ' HB2' ' A' ' 111' ' ' GLN . 41.5 t -74.63 -53.23 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.468 ' CE3' ' HG3' ' A' ' 76' ' ' GLU . 0.8 OUTLIER -58.54 -50.96 71.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 108.02 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.542 ' HG ' ' HZ ' ' A' ' 64' ' ' PHE . 0.5 OUTLIER -50.62 -50.47 54.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 108.318 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.842 HG21 ' CZ ' ' A' ' 108' ' ' PHE . 29.7 mt -51.93 -38.57 23.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -71.6 -38.52 61.49 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -64.63 -35.12 79.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 0.734 . . . . 0.0 109.305 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.57 ' HB1' HG23 ' A' ' 57' ' ' ILE . . . -68.61 -55.45 11.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.35 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.429 ' HB2' ' HB2' ' A' ' 105' ' ' ALA . 8.6 m-85 -55.89 -40.2 72.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 111.023 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 49.5 m -61.44 -52.25 65.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 110.4 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 32.7 t -60.75 -52.0 66.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.969 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.859 ' HB2' HG21 ' A' ' 57' ' ' ILE . 53.9 t80 -52.5 -34.19 48.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 111.008 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.492 ' HB2' ' HB3' ' A' ' 101' ' ' ASN . . . -63.97 -50.24 69.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.401 ' O ' ' OH ' ' A' ' 140' ' ' TYR . 30.7 m-85 -56.39 -17.62 8.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.903 HD22 ' CG1' ' A' ' 50' ' ' ILE . 34.1 mt -95.83 -19.07 19.89 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.496 1.122 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.435 HG22 ' HB2' ' A' ' 98' ' ' ALA . 0.9 OUTLIER -97.22 116.14 65.9 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.351 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.44 ' O ' ' N ' ' A' ' 95' ' ' GLU . 18.3 Cg_endo -74.97 -24.83 12.49 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.516 1.798 . . . . 0.0 110.977 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -59.06 86.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.275 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 93' ' ' PRO . 43.0 mt-10 -40.95 -47.53 3.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.312 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.429 ' CG2' ' N ' ' A' ' 97' ' ' GLU . 1.8 t -53.09 -46.53 68.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.374 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.429 ' N ' ' CG2' ' A' ' 96' ' ' THR . 5.5 mm-40 -75.87 -50.07 16.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.435 ' HB2' HG22 ' A' ' 92' ' ' THR . . . -54.27 -54.03 45.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.25 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.6 ttpt -53.22 -47.05 69.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -58.98 -45.66 90.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.597 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ASN . . . . . 0.492 ' HB3' ' HB2' ' A' ' 89' ' ' ALA . 1.4 t30 -61.03 -53.98 50.51 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.895 ' CD1' ' HB1' ' A' ' 132' ' ' ALA . 8.8 m-85 -50.71 -42.54 57.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.099 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.79 -20.95 59.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 104' ' ' LEU . 0.0 OUTLIER -73.52 -51.55 16.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.252 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.429 ' HB2' ' HB2' ' A' ' 85' ' ' TYR . . . -59.65 -24.82 64.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.337 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.6 m -64.97 -54.74 25.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.415 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.414 ' CG ' ' O ' ' A' ' 104' ' ' LEU . 1.2 pt20 -53.79 -23.43 12.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.842 ' CZ ' HG21 ' A' ' 81' ' ' ILE . 4.9 m-85 -82.48 -47.95 11.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 111.037 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.779 ' CD2' HG21 ' A' ' 129' ' ' THR . 13.1 m-85 -54.11 -25.58 22.73 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -67.21 -30.66 70.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 110.268 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.967 ' HB2' HG11 ' A' ' 78' ' ' VAL . 33.3 mt-30 -81.26 -35.11 31.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.328 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.2 -50.35 72.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.895 HG12 ' HB3' ' A' ' 122' ' ' TYR . 3.9 m -70.51 -39.86 76.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -45.15 -48.93 12.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.405 ' CB ' ' CG ' ' A' ' 75' ' ' ASP . 3.9 mm-40 -63.65 -44.29 94.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.442 ' O ' ' CG ' ' A' ' 116' ' ' GLN . 2.1 tt0 -156.16 89.24 2.81 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.293 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.463 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.3 Cg_endo -74.96 -3.63 14.21 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.54 1.81 . . . . 0.0 111.016 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -86.75 2.13 49.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 109.336 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -81.94 117.76 22.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 44.7 p -58.16 -29.75 65.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 110.414 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 3.4 m80 -66.91 -59.72 3.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.572 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.895 ' HB3' HG12 ' A' ' 113' ' ' VAL . 13.9 m-30 -55.86 -33.85 64.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 111.012 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.955 ' O ' HD22 ' A' ' 123' ' ' LEU . 0.0 OUTLIER -60.34 -48.05 83.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.69 ' N ' HD13 ' A' ' 123' ' ' LEU . 1.8 tptp -59.37 -39.26 82.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.341 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' SER . . . . . 0.567 ' O ' HG23 ' A' ' 129' ' ' THR . 0.6 OUTLIER -55.49 -44.13 76.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.012 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.417 ' O ' ' OG1' ' A' ' 129' ' ' THR . 1.9 tp -70.89 -34.02 71.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -67.96 -44.77 75.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.32 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.06 -42.68 93.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 111.004 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.779 HG21 ' CD2' ' A' ' 109' ' ' PHE . 2.6 p -55.85 -28.66 57.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.401 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -44.79 -52.01 8.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.642 ' O ' HD12 ' A' ' 135' ' ' LEU . 12.7 mttt -107.04 45.32 0.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.895 ' HB1' ' CD1' ' A' ' 102' ' ' PHE . . . -63.79 -49.92 73.59 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 133' ' ' PRO . . . . . 0.714 ' HD3' ' HB3' ' A' ' 132' ' ' ALA . 18.2 Cg_endo -75.03 -26.52 10.79 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.48 1.779 . . . . 0.0 110.991 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 61.6 mm-40 -79.69 -49.76 11.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.238 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.642 HD12 ' O ' ' A' ' 131' ' ' LYS . 6.7 mt -48.3 -42.16 30.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 136' ' ' HIS . . . . . 0.616 ' CD2' ' CE1' ' A' ' 140' ' ' TYR . 18.9 t-80 -67.57 -43.5 80.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.66 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.407 ' O ' ' HB3' ' A' ' 141' ' ' LYS . . . -61.86 -52.44 64.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.458 ' CG ' ' HA ' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -68.66 -32.72 72.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.313 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.636 ' HB2' ' O ' ' A' ' 135' ' ' LEU . . . -63.61 -39.39 94.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.34 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 140' ' ' TYR . . . . . 0.616 ' CE1' ' CD2' ' A' ' 136' ' ' HIS . 4.2 m-85 -88.25 -37.18 16.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 111.031 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 141' ' ' LYS . . . . . 0.407 ' HB3' ' O ' ' A' ' 137' ' ' ALA . 2.9 tttp -65.77 -48.34 72.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 109.261 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.325 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.44 ' CG ' ' CE2' ' A' ' 13' ' ' PHE . 7.2 ttm180 . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.738 HD13 ' CG ' ' A' ' 47' ' ' PHE . 5.5 mt -62.42 -47.0 95.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.357 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.505 HD23 ' N ' ' A' ' 11' ' ' LEU . 4.2 mt -54.16 -31.54 52.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.591 ' CD1' HD11 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -74.45 -43.1 57.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.762 ' O ' HG21 ' A' ' 40' ' ' VAL . 5.4 m-85 -63.88 -33.85 76.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 110.978 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.578 ' HG2' HD21 ' A' ' 44' ' ' LEU . 14.1 mm-40 -62.11 -52.84 62.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.314 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.46 ' HG3' ' N ' ' A' ' 16' ' ' ILE . 1.0 OUTLIER -57.57 -29.26 64.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.297 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.591 HD11 ' CD1' ' A' ' 12' ' ' LEU . 37.5 mt -71.32 -53.03 22.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.5 ' O ' ' CB ' ' A' ' 21' ' ' GLU . 0.1 OUTLIER -55.89 -38.8 70.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -67.23 -47.44 70.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.89 -43.24 75.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.803 ' HB1' ' HB2' ' A' ' 37' ' ' TRP . . . -66.95 -57.5 6.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.566 ' HG3' ' CZ2' ' A' ' 37' ' ' TRP . 14.3 tt0 -50.96 -37.47 44.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.291 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.405 ' HA ' ' HD3' ' A' ' 25' ' ' LYS . 37.4 t30 -75.47 -43.82 47.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.436 1.085 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.555 HG22 ' OD2' ' A' ' 30' ' ' ASP . 20.8 m -53.64 -23.0 9.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.38 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -52.7 -61.58 2.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.972 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.405 ' HD3' ' HA ' ' A' ' 22' ' ' ASN . 0.0 OUTLIER -60.43 -29.71 69.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.62 -24.32 62.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.046 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.492 ' C ' ' H ' ' A' ' 29' ' ' LEU . 7.0 t-20 -169.6 84.56 0.61 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 23.28 0.4 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.508 1.794 . . . . 0.0 111.007 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.751 ' O ' HG21 ' A' ' 70' ' ' ILE . 8.7 mt -132.35 8.19 4.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.555 ' OD2' HG22 ' A' ' 23' ' ' THR . 17.6 p30 -90.74 99.44 12.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.344 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.784 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . . . -69.15 -30.71 69.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.338 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -61.44 -49.65 75.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.445 ' O ' ' N ' ' A' ' 37' ' ' TRP . 26.5 t30 -68.28 -47.08 68.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.143 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.678 HD22 ' O ' ' A' ' 63' ' ' LYS . 0.5 OUTLIER -51.07 -51.31 54.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 54.4 m -59.32 -41.29 88.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.359 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.53 -33.17 70.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.304 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.803 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . 13.9 t90 -67.46 -27.25 66.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 108.014 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.483 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -84.17 -55.7 2.71 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.485 1.116 . . . . 0.0 111.004 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -38.87 -46.14 2.23 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.762 HG21 ' O ' ' A' ' 13' ' ' PHE . 3.5 p -67.4 -47.5 80.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.484 0.755 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.442 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 12.6 mt -48.37 -43.9 34.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.11 . . . . 0.0 109.282 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 17.1 mt -64.25 -38.32 90.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.524 ' HG3' ' CZ ' ' A' ' 13' ' ' PHE . 38.0 mm-40 -65.78 -60.67 2.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.578 HD21 ' HG2' ' A' ' 14' ' ' GLU . 6.7 mt -62.2 -24.83 67.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.86 -44.15 70.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.978 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.476 ' CG ' ' N ' ' A' ' 47' ' ' PHE . 3.1 pt20 -67.69 -45.15 75.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.738 ' CG ' HD13 ' A' ' 10' ' ' ILE . 26.0 t80 -63.62 -22.47 66.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.994 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 46.2 m-70 -97.46 144.53 27.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.617 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -42.5 155.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.018 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.864 ' CG1' HD22 ' A' ' 91' ' ' LEU . 0.1 OUTLIER -54.67 -48.67 71.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 109.298 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.6 t -44.67 -56.46 4.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.995 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.8 -37.42 70.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.544 ' HB3' ' HA ' ' A' ' 50' ' ' ILE . . . -47.91 -54.48 12.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.438 ' CD ' HG23 ' A' ' 50' ' ' ILE . 18.7 mtpt -57.73 -50.78 72.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 52.7 mm-40 -55.17 -41.62 72.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.137 . . . . 0.0 110.332 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.434 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 60.3 mtp -70.44 -31.98 69.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.959 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.927 HG21 ' HB2' ' A' ' 88' ' ' PHE . 11.6 mt -73.03 -52.64 21.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -46.69 -54.66 9.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.31 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.531 ' HA ' ' CG2' ' A' ' 62' ' ' THR . 8.6 pt-20 -60.63 -37.66 82.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.458 ' N ' ' HG3' ' A' ' 59' ' ' GLU . . . -60.54 -39.92 89.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.557 HG22 ' N ' ' A' ' 62' ' ' THR . 0.3 OUTLIER -62.7 -63.04 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.557 ' N ' HG22 ' A' ' 61' ' ' ILE . 1.4 t -48.97 -25.77 2.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 110.393 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.678 ' O ' HD22 ' A' ' 34' ' ' LEU . 11.2 mttm -70.62 -51.63 26.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.551 ' CZ ' ' HB3' ' A' ' 80' ' ' CYS . 22.6 m-85 -56.32 -33.6 65.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 111.01 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -57.73 -55.46 34.61 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.128 . . . . 0.0 110.304 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.434 ' HA ' HD12 ' A' ' 69' ' ' LEU . 1.7 tt0 -56.21 -38.55 71.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 110.277 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.821 ' HA ' HD12 ' A' ' 70' ' ' ILE . . . -61.92 -43.87 97.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.735 HD21 HG23 ' A' ' 78' ' ' VAL . 28.0 mt -60.39 -31.29 70.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.434 HD12 ' HA ' ' A' ' 66' ' ' GLU . 0.8 OUTLIER -68.87 -31.46 70.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 109.287 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.821 HD12 ' HA ' ' A' ' 67' ' ' ALA . 5.9 mt -76.07 -41.62 38.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -154.73 114.28 2.4 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.135 . . . . 0.0 109.264 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -5.79 17.24 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.504 1.792 . . . . 0.0 111.021 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 75' ' ' ASP . 7.3 mmtm -82.73 -7.02 59.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.82 69.63 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.3 OUTLIER -51.97 -33.34 37.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.502 ' HG3' ' CE3' ' A' ' 79' ' ' TRP . 41.5 tt0 -65.19 -46.1 82.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.254 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.31 -32.44 56.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.326 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.978 HG11 ' HB2' ' A' ' 111' ' ' GLN . 29.0 t -74.53 -53.71 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.502 ' CE3' ' HG3' ' A' ' 76' ' ' GLU . 0.6 OUTLIER -58.17 -44.29 87.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 108.029 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.551 ' HB3' ' CZ ' ' A' ' 64' ' ' PHE . 0.7 OUTLIER -50.42 -51.76 43.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 108.284 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.803 HG21 ' CZ ' ' A' ' 108' ' ' PHE . 74.3 mt -52.04 -48.51 41.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -61.88 -43.21 99.51 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.455 1.097 . . . . 0.0 110.947 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -63.27 -40.61 97.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 0.771 . . . . 0.0 109.357 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.643 ' HB1' HG23 ' A' ' 57' ' ' ILE . . . -66.52 -52.55 44.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 109.33 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.76 ' CE2' HD11 ' A' ' 104' ' ' LEU . 3.1 m-85 -56.82 -43.4 81.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.402 ' O ' ' HB3' ' A' ' 89' ' ' ALA . 18.1 m -58.01 -54.04 51.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.376 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 38.8 m -59.07 -51.19 71.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.972 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.927 ' HB2' HG21 ' A' ' 57' ' ' ILE . 27.3 t80 -54.39 -33.28 58.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.564 1.165 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.714 ' HB2' ' HB3' ' A' ' 101' ' ' ASN . . . -64.01 -45.88 86.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.419 ' CE2' ' CZ ' ' A' ' 102' ' ' PHE . 37.0 m-85 -61.83 -17.66 57.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 110.992 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.864 HD22 ' CG1' ' A' ' 50' ' ' ILE . 36.9 mt -93.96 -18.77 21.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.476 HG22 ' HB2' ' A' ' 98' ' ' ALA . 0.8 OUTLIER -95.07 120.66 63.95 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 110.417 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.627 ' HA ' ' CE2' ' A' ' 140' ' ' TYR . 18.6 Cg_endo -74.92 -27.61 10.02 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.534 1.807 . . . . 0.0 111.071 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.93 93.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -43.06 -47.51 5.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.6 m -52.61 -56.58 14.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.117 . . . . 0.0 110.425 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -65.83 -48.8 70.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 110.267 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.652 ' CB ' ' CE1' ' A' ' 136' ' ' HIS . . . -53.25 -52.95 57.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.91 -55.98 27.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.171 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.503 ' O ' ' CB ' ' A' ' 104' ' ' LEU . 0.2 OUTLIER -49.03 -40.7 32.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.563 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ASN . . . . . 0.714 ' HB3' ' HB2' ' A' ' 89' ' ' ALA . 0.8 OUTLIER -64.17 -53.89 42.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 109.292 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.913 ' HB3' ' HB1' ' A' ' 132' ' ' ALA . 11.3 m-85 -56.5 -44.47 80.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 110.972 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -74.77 -24.84 58.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.875 HD22 ' O ' ' A' ' 104' ' ' LEU . 0.4 OUTLIER -76.93 -38.28 53.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.82 -23.13 66.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.332 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.5 m -65.09 -53.53 44.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.38 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.438 ' CG ' ' O ' ' A' ' 104' ' ' LEU . 1.0 OUTLIER -49.67 -25.71 3.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.278 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.803 ' CZ ' HG21 ' A' ' 81' ' ' ILE . 4.9 m-85 -82.65 -48.11 11.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 110.981 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.655 ' HD2' HG21 ' A' ' 129' ' ' THR . 14.7 m-85 -54.73 -33.08 60.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 111.031 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -60.68 -29.03 69.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 0.0 110.306 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.978 ' HB2' HG11 ' A' ' 78' ' ' VAL . 28.0 mt-30 -80.49 -40.57 25.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.283 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -52.93 -51.92 59.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.258 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.819 HG12 ' HB3' ' A' ' 122' ' ' TYR . 6.2 m -68.53 -36.19 73.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -46.3 -51.01 15.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.268 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -65.25 -39.93 93.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 110.317 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.465 ' NE2' ' OD1' ' A' ' 119' ' ' ASN . 2.3 tt0 -160.28 92.14 1.67 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.334 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.457 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.4 Cg_endo -74.95 -4.25 15.12 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.509 1.794 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -87.72 5.5 39.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ASN . . . . . 0.465 ' OD1' ' NE2' ' A' ' 116' ' ' GLN . 1.0 OUTLIER -83.8 120.31 25.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 70.3 p -55.96 -50.95 69.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.419 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 8.7 m80 -49.95 -58.0 6.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.649 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.819 ' HB3' HG12 ' A' ' 113' ' ' VAL . 10.1 m-30 -53.8 -37.2 63.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 1.001 ' O ' HD22 ' A' ' 123' ' ' LEU . 0.0 OUTLIER -60.35 -44.82 95.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.658 ' N ' HD13 ' A' ' 123' ' ' LEU . 0.1 OUTLIER -63.76 -39.36 94.09 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.491 1.119 . . . . 0.0 109.25 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 125' ' ' SER . . . . . 0.924 ' O ' HG23 ' A' ' 129' ' ' THR . 1.1 m -55.66 -46.67 77.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.989 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 3.0 tp -69.19 -34.61 75.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.347 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.469 ' O ' ' HB3' ' A' ' 130' ' ' ALA . 4.4 tp10 -68.08 -41.94 81.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 110.33 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 12.3 mmm -62.62 -48.91 77.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.924 HG23 ' O ' ' A' ' 125' ' ' SER . 81.5 p -53.64 -24.91 15.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 110.414 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 127' ' ' GLU . . . -43.85 -40.74 4.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.442 ' O ' ' CG ' ' A' ' 135' ' ' LEU . 0.8 OUTLIER -122.4 47.84 1.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.312 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.913 ' HB1' ' HB3' ' A' ' 102' ' ' PHE . . . -64.78 -48.41 72.91 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 133' ' ' PRO . . . . . 0.651 ' HD3' ' HB3' ' A' ' 132' ' ' ALA . 18.1 Cg_endo -75.04 -28.04 9.45 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.5 1.79 . . . . 0.0 110.969 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 134' ' ' GLN . . . . . 0.439 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 2.9 mt-30 -80.26 -45.74 17.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.255 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.741 ' O ' ' HB2' ' A' ' 139' ' ' ALA . 24.5 mt -54.37 -38.65 66.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 136' ' ' HIS . . . . . 0.652 ' CE1' ' CB ' ' A' ' 98' ' ' ALA . 35.9 t-80 -67.9 -44.36 77.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.138 . . . . 0.0 109.563 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.523 ' O ' ' CB ' ' A' ' 141' ' ' LYS . . . -61.85 -53.05 61.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.477 ' CG ' ' HA ' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -68.72 -27.33 65.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.287 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.741 ' HB2' ' O ' ' A' ' 135' ' ' LEU . . . -60.56 -49.83 75.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 140' ' ' TYR . . . . . 0.627 ' CE2' ' HA ' ' A' ' 93' ' ' PRO . 6.3 m-85 -88.37 -42.78 11.97 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.118 . . . . 0.0 110.976 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 141' ' ' LYS . . . . . 0.523 ' CB ' ' O ' ' A' ' 137' ' ' ALA . 11.4 ttpt -55.66 -47.95 75.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 179.995 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.513 ' CG ' ' CE2' ' A' ' 13' ' ' PHE . 9.2 ttm180 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.516 HD11 ' HB2' ' A' ' 47' ' ' PHE . 52.2 mt -57.55 -48.29 83.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.434 HD23 ' N ' ' A' ' 11' ' ' LEU . 6.9 mt -55.21 -41.54 72.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.345 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.725 ' CD1' HD11 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -57.99 -50.61 72.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.686 ' HA ' HD12 ' A' ' 16' ' ' ILE . 12.5 m-85 -63.94 -37.94 89.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -53.0 -53.0 56.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.457 ' CG ' ' O ' ' A' ' 12' ' ' LEU . 1.1 pt20 -62.38 -28.13 69.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 110.29 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.725 HD11 ' CD1' ' A' ' 12' ' ' LEU . 70.6 mt -71.37 -49.47 47.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.57 1.169 . . . . 0.0 109.272 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.5 ttp180 -60.92 -34.04 74.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.343 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -69.04 -54.44 15.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.289 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 23' ' ' THR . 0.1 OUTLIER -69.23 -29.65 67.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 16' ' ' ILE . . . -73.63 -45.81 50.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.586 ' HG3' ' CZ2' ' A' ' 37' ' ' TRP . 16.3 tt0 -66.64 -44.7 81.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.476 ' OD1' ' O ' ' A' ' 19' ' ' ASP . 0.2 OUTLIER -67.83 -36.72 80.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.653 HG22 ' ND2' ' A' ' 33' ' ' ASN . 1.4 m -60.84 -24.7 66.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.393 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.408 ' CD1' ' HZ3' ' A' ' 37' ' ' TRP . 6.8 t80 -51.37 -60.3 3.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.19 -26.97 68.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.1 -26.24 60.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.992 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -169.38 85.29 0.62 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 -11.23 21.31 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.521 1.801 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.873 ' O ' HG21 ' A' ' 70' ' ' ILE . 11.5 mt -88.87 -22.06 23.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -64.75 99.53 0.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.271 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.793 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . . . -70.07 -27.41 64.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -64.56 -52.16 59.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.573 1.17 . . . . 0.0 109.259 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.653 ' ND2' HG22 ' A' ' 23' ' ' THR . 0.8 OUTLIER -65.3 -40.2 93.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 1.011 HD22 ' O ' ' A' ' 63' ' ' LYS . 0.3 OUTLIER -59.4 -52.48 65.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.468 ' CG2' ' HG2' ' A' ' 76' ' ' GLU . 82.0 m -59.62 -37.88 79.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.396 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.34 -32.32 69.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 110.33 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.672 ' CZ2' ' NZ ' ' A' ' 63' ' ' LYS . 12.3 t90 -65.91 -27.48 68.23 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.452 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -84.68 -54.12 3.02 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.509 1.131 . . . . 0.0 111.034 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -40.46 -44.66 3.2 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.582 HG22 ' HB3' ' A' ' 13' ' ' PHE . 0.6 OUTLIER -67.4 -47.89 79.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 0.777 . . . . 0.0 109.264 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.474 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 14.1 mt -48.32 -43.82 33.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 15.9 mt -65.44 -36.74 84.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.355 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.47 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 19.4 mm-40 -65.11 -59.23 4.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.463 HD21 ' HB2' ' A' ' 13' ' ' PHE . 75.7 mt -61.97 -25.63 67.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.47 -36.89 74.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.008 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.467 ' HG2' ' N ' ' A' ' 47' ' ' PHE . 3.0 pt20 -66.46 -34.34 77.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 110.263 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.516 ' HB2' HD11 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -80.48 -36.32 33.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 111.082 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -78.81 135.95 37.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.584 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 46.0 m -41.0 148.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.001 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.981 ' CG1' HD22 ' A' ' 91' ' ' LEU . 1.0 OUTLIER -48.99 -43.96 15.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.304 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.9 t -46.65 -56.42 6.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.993 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.69 -36.39 62.74 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.626 ' HB3' ' HA ' ' A' ' 50' ' ' ILE . . . -49.1 -54.46 16.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.438 ' HD3' HG23 ' A' ' 50' ' ' ILE . 23.4 mtpt -51.73 -53.01 44.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -55.14 -46.11 75.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.286 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 93.3 mtp -62.02 -32.33 72.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 111.006 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.732 HG21 ' HB2' ' A' ' 88' ' ' PHE . 34.9 mt -72.76 -52.28 23.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -45.75 -51.1 13.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.248 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.452 ' HG2' ' N ' ' A' ' 60' ' ' ALA . 3.1 pt-20 -66.44 -37.58 85.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 110.296 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.452 ' N ' ' HG2' ' A' ' 59' ' ' GLU . . . -59.39 -28.32 66.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.626 HD12 ' O ' ' A' ' 57' ' ' ILE . 0.7 OUTLIER -69.89 -44.91 78.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.413 HG23 ' H ' ' A' ' 62' ' ' THR . 27.9 p -60.74 -32.48 71.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.394 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 1.011 ' O ' HD22 ' A' ' 34' ' ' LEU . 10.4 mmtp -60.79 -52.61 64.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.509 ' CZ ' ' HB3' ' A' ' 80' ' ' CYS . 9.6 m-85 -62.5 -36.4 82.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 110.977 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -48.64 -55.12 12.15 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.486 1.116 . . . . 0.0 110.318 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.449 ' HB3' ' CD1' ' A' ' 34' ' ' LEU . 23.8 tp10 -66.53 -43.3 85.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 0.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.629 ' HB2' ' HB3' ' A' ' 34' ' ' LEU . . . -54.31 -45.42 72.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.12 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.666 HD21 HG23 ' A' ' 78' ' ' VAL . 6.9 mt -64.45 -28.36 69.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.9 -31.41 68.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.873 HG21 ' O ' ' A' ' 29' ' ' LEU . 4.6 mt -78.75 -42.7 25.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -143.94 110.05 5.13 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -18.06 19.18 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.5 1.79 . . . . 0.0 111.04 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.18 2.59 34.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.464 ' HB3' ' HB3' ' A' ' 77' ' ' ALA . 1.2 tptp -69.62 79.54 0.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.27 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.87 -32.53 32.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.498 ' HG3' ' CE3' ' A' ' 79' ' ' TRP . 17.9 tt0 -66.5 -51.73 53.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.315 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.464 ' HB3' ' HB3' ' A' ' 74' ' ' LYS . . . -52.59 -32.84 43.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.927 HG11 ' HB2' ' A' ' 111' ' ' GLN . 16.9 t -74.69 -53.55 16.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.092 . . . . 0.0 109.257 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.498 ' CE3' ' HG3' ' A' ' 76' ' ' GLU . 0.4 OUTLIER -57.86 -46.32 84.99 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.509 ' HB3' ' CZ ' ' A' ' 64' ' ' PHE . 0.5 OUTLIER -50.41 -55.27 16.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 108.287 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.658 ' CD1' HD12 ' A' ' 68' ' ' LEU . 72.5 mt -52.04 -41.13 31.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -68.75 -44.65 69.07 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.451 1.094 . . . . 0.0 110.97 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -63.66 -32.0 73.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 0.739 . . . . 0.0 109.263 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.412 ' HB1' HG23 ' A' ' 57' ' ' ILE . . . -67.97 -55.16 13.72 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.453 ' CD1' ' OD1' ' A' ' 101' ' ' ASN . 10.8 m-85 -59.29 -48.57 81.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.994 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 96.1 m -54.69 -47.09 74.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 110.432 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.2 t -67.01 -50.98 60.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.996 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.732 ' HB2' HG21 ' A' ' 57' ' ' ILE . 40.4 t80 -54.09 -34.69 60.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.622 ' HB1' ' HB1' ' A' ' 98' ' ' ALA . . . -58.96 -48.91 79.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -57.89 -23.19 52.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 111.03 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.981 HD22 ' CG1' ' A' ' 50' ' ' ILE . 5.3 mt -94.63 -3.02 50.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.249 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.578 HG21 ' HB2' ' A' ' 97' ' ' GLU . 1.5 m -98.5 105.89 32.74 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 110.441 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.59 ' HA ' ' CE2' ' A' ' 140' ' ' TYR . 18.3 Cg_endo -74.96 -13.44 21.5 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.492 1.785 . . . . 0.0 111.011 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.631 ' O ' ' CB ' ' A' ' 95' ' ' GLU . 0.1 OUTLIER -58.69 -49.65 76.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.1 . . . . 0.0 109.267 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.631 ' CB ' ' O ' ' A' ' 94' ' ' ASP . 2.0 mm-40 97.42 -55.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.299 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.37 -38.92 78.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.413 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.578 ' HB2' HG21 ' A' ' 92' ' ' THR . 6.3 mt-10 -75.86 -35.18 59.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.336 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.622 ' HB1' ' HB1' ' A' ' 89' ' ' ALA . . . -69.94 -52.53 23.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.54 -49.88 73.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -56.13 -44.11 78.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.594 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ASN . . . . . 0.453 ' OD1' ' CD1' ' A' ' 85' ' ' TYR . 11.0 m-20 -66.54 -47.81 71.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.143 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.553 ' HB3' ' HB1' ' A' ' 132' ' ' ALA . 2.0 m-85 -51.08 -45.52 61.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -73.6 -20.18 60.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.482 HD23 ' HG2' ' A' ' 107' ' ' GLN . 0.1 OUTLIER -76.03 -46.05 31.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.731 ' HB1' ' CZ ' ' A' ' 109' ' ' PHE . . . -61.54 -24.57 66.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.511 ' HA ' ' CD2' ' A' ' 109' ' ' PHE . 2.6 m -63.63 -55.07 26.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.406 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.482 ' HG2' HD23 ' A' ' 104' ' ' LEU . 1.7 pt20 -54.97 -23.92 21.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 110.311 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.8 ' HD1' HG13 ' A' ' 78' ' ' VAL . 15.0 m-85 -82.93 -44.02 15.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 110.989 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.731 ' CZ ' ' HB1' ' A' ' 105' ' ' ALA . 19.1 m-30 -54.5 -32.72 58.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 111.062 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.87 -30.4 70.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.297 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.927 ' HB2' HG11 ' A' ' 78' ' ' VAL . 39.5 mt-30 -81.22 -41.16 22.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.098 . . . . 0.0 110.315 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.5 ' O ' ' CD2' ' A' ' 122' ' ' TYR . . . -61.66 -52.8 62.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.252 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.722 HG12 ' HB3' ' A' ' 122' ' ' TYR . 4.1 m -63.64 -35.48 72.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.42 -45.92 9.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -75.1 -44.17 48.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.342 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -139.2 83.51 17.71 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.477 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.4 Cg_endo -74.94 -9.25 20.77 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.513 1.796 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -96.73 -11.87 24.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -68.36 116.29 8.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.479 ' HA ' HD12 ' A' ' 123' ' ' LEU . 2.0 t -52.81 -39.8 62.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.414 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -58.44 -45.57 88.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.54 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.722 ' HB3' HG12 ' A' ' 113' ' ' VAL . 12.0 m-30 -77.52 -24.09 50.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 111.014 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.973 HD13 ' N ' ' A' ' 124' ' ' LYS . 0.0 OUTLIER -77.43 -50.41 12.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 109.268 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.973 ' N ' HD13 ' A' ' 123' ' ' LEU . 0.1 OUTLIER -59.32 -43.78 92.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.54 -42.29 87.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.969 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.561 ' O ' HG23 ' A' ' 129' ' ' THR . 13.6 tp -72.9 -56.36 5.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -55.23 -29.53 58.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 110.272 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' MET . . . . . 0.402 ' N ' ' O ' ' A' ' 124' ' ' LYS . 8.8 mmm -59.16 -31.81 69.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.561 HG23 ' O ' ' A' ' 126' ' ' LEU . 28.0 p -62.99 -28.53 70.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.342 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 129' ' ' THR . . . -39.62 -43.24 1.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.266 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.41 ' O ' ' CB ' ' A' ' 135' ' ' LEU . 0.7 OUTLIER -122.03 48.14 1.77 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 109.336 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.702 ' HB3' ' HD3' ' A' ' 133' ' ' PRO . . . -65.1 -49.58 65.84 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 133' ' ' PRO . . . . . 0.702 ' HD3' ' HB3' ' A' ' 132' ' ' ALA . 18.3 Cg_endo -74.97 -26.67 10.76 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.5 1.789 . . . . 0.0 110.964 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 134' ' ' GLN . . . . . 0.458 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 64.6 mm-40 -80.47 -48.32 12.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.302 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.732 ' O ' ' HB2' ' A' ' 139' ' ' ALA . 35.5 mt -51.63 -41.07 61.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 136' ' ' HIS . . . . . 0.546 ' CE1' ' HA ' ' A' ' 95' ' ' GLU . 60.0 t-80 -66.85 -44.91 79.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.088 . . . . 0.0 109.56 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.528 ' O ' ' CB ' ' A' ' 141' ' ' LYS . . . -61.88 -53.0 61.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.138 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.473 ' CG ' ' HA ' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -68.96 -26.97 65.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.264 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.732 ' HB2' ' O ' ' A' ' 135' ' ' LEU . . . -58.95 -51.33 70.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 140' ' ' TYR . . . . . 0.59 ' CE2' ' HA ' ' A' ' 93' ' ' PRO . 7.5 m-85 -88.3 -41.98 12.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 111.044 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 141' ' ' LYS . . . . . 0.528 ' CB ' ' O ' ' A' ' 137' ' ' ALA . 8.3 ttpp -55.4 -47.23 76.21 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.459 1.1 . . . . 0.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 110.288 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.3 ttm180 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.464 HG23 HD22 ' A' ' 44' ' ' LEU . 30.3 mt -61.81 -38.46 80.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.439 HD23 ' N ' ' A' ' 11' ' ' LEU . 6.6 mt -57.95 -41.69 83.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.336 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.924 HD12 HD12 ' A' ' 16' ' ' ILE . 0.2 OUTLIER -59.53 -50.54 73.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.347 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.769 ' HD1' HG23 ' A' ' 40' ' ' VAL . 15.3 m-85 -63.73 -35.58 81.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.127 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -61.18 -57.69 11.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.163 . . . . 0.0 110.273 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.444 ' CG ' ' O ' ' A' ' 12' ' ' LEU . 7.2 pt20 -52.68 -31.63 38.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.327 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.924 HD12 HD12 ' A' ' 12' ' ' LEU . 5.2 mt -71.26 -50.59 40.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.446 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.4 OUTLIER -52.45 -56.29 16.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 110.279 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.43 ' HG3' ' N ' ' A' ' 19' ' ' ASP . 5.4 pt20 -53.81 -45.11 70.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.287 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.43 ' N ' ' HG3' ' A' ' 18' ' ' GLN . 0.3 OUTLIER -62.34 -38.52 89.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.779 ' HB1' ' CG ' ' A' ' 37' ' ' TRP . . . -56.99 -45.78 82.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.651 ' HG2' ' CZ2' ' A' ' 37' ' ' TRP . 3.2 mt-10 -62.0 -41.86 98.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.12 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.455 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 1.1 m120 -69.29 -47.85 63.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.544 HG21 ' CG ' ' A' ' 33' ' ' ASN . 4.3 m -60.56 -21.41 62.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.441 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.402 ' O ' ' N ' ' A' ' 28' ' ' PRO . 5.5 t80 -65.46 -62.3 1.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.955 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 22' ' ' ASN . 0.4 OUTLIER -64.14 -24.34 67.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.08 -25.38 29.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.017 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' A' ' 23' ' ' THR . 14.8 m120 -169.61 82.55 0.63 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.402 ' N ' ' O ' ' A' ' 24' ' ' TYR . 18.4 Cg_endo -74.98 -13.03 21.57 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.464 1.77 . . . . 0.0 111.033 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.817 ' O ' HG21 ' A' ' 70' ' ' ILE . 11.3 mt -82.47 -18.32 42.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.24 99.48 0.39 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.807 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . . . -74.03 -22.26 59.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.102 . . . . 0.0 109.282 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -69.23 -55.01 11.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.16 . . . . 0.0 109.319 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.544 ' CG ' HG21 ' A' ' 23' ' ' THR . 1.7 t30 -69.62 -34.96 74.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.969 ' HG ' ' HB2' ' A' ' 67' ' ' ALA . 1.3 tp -66.89 -41.14 87.7 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.41 ' CB ' ' O ' ' A' ' 31' ' ' ALA . 4.7 m -69.0 -53.58 19.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.377 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.434 ' CD ' HG23 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -57.87 -19.11 26.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 110.274 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.779 ' CG ' ' HB1' ' A' ' 20' ' ' ALA . 6.9 t90 -67.48 -27.53 67.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 107.995 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.599 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -82.57 -56.53 2.78 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.485 1.116 . . . . 0.0 110.964 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -42.44 -45.71 5.45 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.769 HG23 ' HD1' ' A' ' 13' ' ' PHE . 5.5 p -67.36 -37.61 79.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.492 0.76 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 38' ' ' GLY . 10.1 mt -60.94 -41.49 96.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.309 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.1 mt -65.51 -35.94 82.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -65.19 -58.14 6.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.271 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.464 HD22 HG23 ' A' ' 10' ' ' ILE . 88.0 mt -61.84 -25.11 67.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.45 -36.45 71.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.997 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.444 ' HG2' ' N ' ' A' ' 47' ' ' PHE . 4.4 pt20 -66.66 -35.06 79.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.133 . . . . 0.0 110.347 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.617 ' CZ ' ' CE1' ' A' ' 48' ' ' HIS . 0.0 OUTLIER -80.46 -35.05 35.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 111.035 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.617 ' CE1' ' CZ ' ' A' ' 47' ' ' PHE . 1.8 m170 -80.37 141.52 35.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.594 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 59.6 m -48.62 160.58 0.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.97 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.567 ' HA ' ' HB3' ' A' ' 53' ' ' ALA . 0.2 OUTLIER -57.54 -48.62 82.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 56.0 p -44.36 -52.35 7.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 110.021 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -75.85 -38.33 58.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.567 ' HB3' ' HA ' ' A' ' 50' ' ' ILE . . . -47.2 -54.57 10.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.496 ' CD ' HG23 ' A' ' 50' ' ' ILE . 0.4 OUTLIER -52.6 -58.28 7.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.32 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 58.7 mm-40 -52.78 -41.97 64.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.291 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 87.7 mtp -66.82 -34.33 77.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 111.008 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.946 HG21 ' HB2' ' A' ' 88' ' ' PHE . 32.4 mt -72.48 -45.73 58.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.519 ' O ' HG23 ' A' ' 62' ' ' THR . 5.2 mt-30 -49.32 -54.37 17.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.347 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.422 ' HG2' ' N ' ' A' ' 60' ' ' ALA . 4.7 pt-20 -65.07 -34.19 77.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.336 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.422 ' N ' ' HG2' ' A' ' 59' ' ' GLU . . . -59.54 -31.55 69.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.509 HG12 ' CE1' ' A' ' 85' ' ' TYR . 0.5 OUTLIER -76.31 -58.01 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.519 HG23 ' O ' ' A' ' 58' ' ' GLN . 58.8 p -50.06 -25.4 3.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.407 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.475 ' HG3' ' CD1' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -71.34 -50.87 27.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.326 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.602 ' CZ ' ' SG ' ' A' ' 80' ' ' CYS . 23.5 m-85 -57.89 -43.31 85.99 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.58 -56.42 8.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 110.265 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.714 ' HB3' HD21 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -59.93 -38.03 81.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 110.308 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.969 ' HB2' ' HG ' ' A' ' 34' ' ' LEU . . . -65.85 -39.39 90.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.704 HD21 HG23 ' A' ' 78' ' ' VAL . 7.3 mt -63.81 -28.69 70.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.464 HD12 ' HA ' ' A' ' 66' ' ' GLU . 0.6 OUTLIER -68.06 -33.57 74.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.939 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.817 HG21 ' O ' ' A' ' 29' ' ' LEU . 5.0 mt -73.35 -43.49 56.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -146.79 105.88 3.96 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.339 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -13.01 21.66 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.468 1.773 . . . . 0.0 111.017 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.0 ptmt -84.09 0.61 47.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.39 80.21 1.89 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.423 ' N ' ' OD1' ' A' ' 75' ' ' ASP . 0.3 OUTLIER -54.29 -23.62 15.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.324 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 52.3 tt0 -69.47 -52.75 23.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.09 . . . . 0.0 110.269 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.34 -31.86 35.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.938 HG11 ' HB2' ' A' ' 111' ' ' GLN . 24.4 t -74.65 -52.92 18.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.26 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -59.08 -46.54 88.03 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.602 ' SG ' ' CZ ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -50.54 -52.88 34.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 108.362 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.617 ' CG2' ' CE2' ' A' ' 85' ' ' TYR . 58.9 mt -51.99 -41.76 32.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.429 ' HA3' ' CE1' ' A' ' 109' ' ' PHE . . . -67.51 -41.41 90.34 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.502 1.126 . . . . 0.0 110.984 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -64.5 -35.76 81.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 0.759 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.488 ' HB1' HG23 ' A' ' 57' ' ' ILE . . . -65.43 -55.62 16.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.617 ' CE2' ' CG2' ' A' ' 81' ' ' ILE . 16.0 m-85 -58.14 -43.41 87.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 111.006 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 73.8 m -55.4 -47.62 75.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.417 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.407 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 36.5 m -66.95 -52.49 42.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 110.011 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.946 ' HB2' HG21 ' A' ' 57' ' ' ILE . 37.5 t80 -52.28 -32.32 36.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 111.032 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.429 ' HB1' ' CE2' ' A' ' 102' ' ' PHE . . . -64.07 -48.59 75.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.244 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -57.69 -17.23 13.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.505 HD22 ' CG1' ' A' ' 50' ' ' ILE . 7.0 mt -95.9 -21.22 18.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -96.89 117.58 65.73 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.358 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -27.04 10.33 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.473 1.775 . . . . 0.0 110.963 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.424 ' OD1' ' HB ' ' A' ' 96' ' ' THR . 10.4 t70 -58.93 93.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -46.02 -45.93 16.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 110.332 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.424 ' HB ' ' OD1' ' A' ' 94' ' ' ASP . 0.9 OUTLIER -51.55 -51.41 55.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.547 1.154 . . . . 0.0 110.4 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -73.87 -49.88 22.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.323 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -52.34 -53.83 39.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.339 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -51.15 70.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -49.3 -39.85 32.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.616 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -69.96 -54.32 13.83 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.904 ' CD1' ' HB1' ' A' ' 132' ' ' ALA . 6.1 m-85 -51.82 -39.74 59.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.7 -19.72 60.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.552 HD23 ' HG2' ' A' ' 107' ' ' GLN . 0.2 OUTLIER -75.64 -48.58 21.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 109.273 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.955 ' HB1' ' CZ ' ' A' ' 109' ' ' PHE . . . -56.35 -28.03 57.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 16.0 m -60.44 -56.57 19.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 110.396 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.552 ' HG2' HD23 ' A' ' 104' ' ' LEU . 0.3 OUTLIER -57.26 -22.81 44.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.746 ' HD1' HG13 ' A' ' 78' ' ' VAL . 7.0 m-85 -83.23 -48.95 9.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 110.999 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.955 ' CZ ' ' HB1' ' A' ' 105' ' ' ALA . 20.6 m-85 -53.84 -32.38 52.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.969 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.1 -28.0 68.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.938 ' HB2' HG11 ' A' ' 78' ' ' VAL . 35.5 mt-30 -81.44 -43.06 19.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.589 1.18 . . . . 0.0 110.333 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -54.55 -55.37 29.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.294 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.711 HG12 ' HB3' ' A' ' 122' ' ' TYR . 16.7 m -63.27 -34.37 66.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -45.65 -52.05 11.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -63.36 -42.37 98.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 110.26 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.439 ' O ' ' CG ' ' A' ' 116' ' ' GLN . 3.1 tt0 -157.8 91.55 2.25 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.147 . . . . 0.0 110.351 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.475 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.3 Cg_endo -74.97 -3.86 14.55 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.505 1.792 . . . . 0.0 111.034 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -89.36 8.05 32.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -86.7 121.57 29.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 61.5 p -57.94 -50.98 71.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.117 . . . . 0.0 110.398 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 8.7 m80 -49.85 -52.6 31.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.639 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.711 ' HB3' HG12 ' A' ' 113' ' ' VAL . 10.2 m-30 -60.64 -34.88 74.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.901 HD13 ' N ' ' A' ' 124' ' ' LYS . 0.0 OUTLIER -60.41 -53.74 54.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.358 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.901 ' N ' HD13 ' A' ' 123' ' ' LEU . 0.0 OUTLIER -55.02 -42.53 72.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.33 -37.21 72.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.03 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.4 ' O ' ' OG1' ' A' ' 129' ' ' THR . 11.1 tp -73.35 -41.97 62.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.27 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.06 -32.74 73.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.263 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.87 -28.54 64.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.968 ' HA ' ' HB2' ' A' ' 132' ' ' ALA . 18.0 p -68.54 -38.18 80.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.415 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 129' ' ' THR . . . -39.4 -39.91 0.74 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.402 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 16.3 mttt -131.15 38.24 3.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.968 ' HB2' ' HA ' ' A' ' 129' ' ' THR . . . -60.84 -52.35 73.02 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 133' ' ' PRO . . . . . 0.776 ' HD3' ' HB3' ' A' ' 132' ' ' ALA . 18.3 Cg_endo -74.97 -21.55 15.8 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.465 1.771 . . . . 0.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' GLN . . . . . 0.435 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 49.8 mm-40 -80.27 -47.24 14.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.282 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.654 ' O ' ' HB2' ' A' ' 139' ' ' ALA . 8.0 mt -48.27 -42.62 31.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 136' ' ' HIS . . . . . 0.549 ' NE2' ' CZ ' ' A' ' 140' ' ' TYR . 6.7 t-80 -67.35 -44.62 78.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.169 . . . . 0.0 109.576 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.423 ' O ' ' HB3' ' A' ' 141' ' ' LYS . . . -61.86 -52.74 62.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.508 ' O ' ' CB ' ' A' ' 142' ' ' GLN . 0.0 OUTLIER -68.12 -26.65 65.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.287 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.654 ' HB2' ' O ' ' A' ' 135' ' ' LEU . . . -72.13 -35.58 69.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 140' ' ' TYR . . . . . 0.549 ' CZ ' ' NE2' ' A' ' 136' ' ' HIS . 3.7 m-85 -88.29 -43.82 11.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 111.016 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 141' ' ' LYS . . . . . 0.439 ' HG2' ' N ' ' A' ' 142' ' ' GLN . 0.0 OUTLIER -66.29 -43.73 85.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 142' ' ' GLN . . . . . 0.508 ' CB ' ' O ' ' A' ' 138' ' ' GLU . 8.4 tm0? . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.355 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.499 ' CG ' ' CE2' ' A' ' 13' ' ' PHE . 10.6 ttm180 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.757 HG23 ' CD2' ' A' ' 44' ' ' LEU . 68.3 mt -66.89 -44.58 88.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.7 mt -56.61 -40.37 75.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.431 1.082 . . . . 0.0 109.268 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.755 ' CD1' HD11 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -61.42 -49.16 77.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.337 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.686 ' HA ' HD12 ' A' ' 16' ' ' ILE . 12.2 m-85 -64.01 -36.68 84.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.943 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -56.48 -52.22 65.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 110.311 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.446 ' HG3' ' N ' ' A' ' 16' ' ' ILE . 3.6 pt20 -62.0 -27.57 68.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.755 HD11 ' CD1' ' A' ' 12' ' ' LEU . 69.6 mt -71.19 -53.31 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.259 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.484 ' O ' ' CB ' ' A' ' 21' ' ' GLU . 4.6 ttt180 -53.71 -39.69 65.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.292 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -66.41 -48.27 70.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.305 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.501 ' O ' ' CB ' ' A' ' 23' ' ' THR . 0.4 OUTLIER -66.57 -44.8 81.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.899 ' HB1' ' HB2' ' A' ' 37' ' ' TRP . . . -65.99 -55.57 16.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.574 ' HG3' ' CZ2' ' A' ' 37' ' ' TRP . 30.2 tt0 -54.18 -46.51 72.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.321 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 23.2 t30 -68.61 -45.56 71.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.544 HG21 ' CG ' ' A' ' 33' ' ' ASN . 2.8 m -54.09 -27.42 32.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.402 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -48.97 -59.79 3.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 111.002 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.7 -25.85 68.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.37 -42.35 68.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.968 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -159.03 91.13 1.98 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 0.85 8.43 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.509 1.794 . . . . 0.0 110.996 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.809 ' O ' HG21 ' A' ' 70' ' ' ILE . 10.2 mt -94.7 -21.04 19.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.48 ' O ' ' CB ' ' A' ' 34' ' ' LEU . 0.9 OUTLIER -64.64 99.33 0.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 109.302 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.686 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . . . -70.31 -33.93 72.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -63.78 -55.52 22.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.298 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.544 ' CG ' HG21 ' A' ' 23' ' ' THR . 0.2 OUTLIER -67.96 -36.06 79.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.991 ' HG ' ' HB2' ' A' ' 67' ' ' ALA . 1.1 tp -64.22 -46.24 84.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.2 m -67.32 -43.62 81.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.38 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -59.92 -31.35 69.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.314 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.899 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . 14.7 t90 -63.22 -26.73 68.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 107.996 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.579 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -86.44 -55.24 2.5 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.48 1.112 . . . . 0.0 110.976 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -43.72 -41.6 5.75 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.538 HG23 ' CD1' ' A' ' 13' ' ' PHE . 1.8 p -67.36 -48.22 78.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 0.765 . . . . 0.0 109.345 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.559 HD12 ' NZ ' ' A' ' 63' ' ' LYS . 25.3 mt -48.29 -43.51 32.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 17.6 mt -65.58 -39.39 91.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.364 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.551 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 12.1 mm-40 -60.6 -58.17 9.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.3 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.757 ' CD2' HG23 ' A' ' 10' ' ' ILE . 30.2 mt -61.53 -24.12 66.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.406 ' HA ' ' SD ' ' A' ' 56' ' ' MET . 2.7 t -53.29 -28.05 26.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.018 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -67.9 -40.16 83.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.329 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.606 ' CZ ' ' CE1' ' A' ' 48' ' ' HIS . 0.0 OUTLIER -80.69 -31.82 36.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 111.003 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.606 ' CE1' ' CZ ' ' A' ' 47' ' ' PHE . 5.1 m-70 -78.75 145.22 34.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.595 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 36.6 m -54.79 161.77 1.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.956 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.894 ' CG1' HD22 ' A' ' 91' ' ' LEU . 0.8 OUTLIER -61.71 -46.92 95.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.7 p -47.68 -56.46 7.23 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.475 1.11 . . . . 0.0 109.973 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.43 -40.01 77.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.629 ' C ' HD12 ' A' ' 57' ' ' ILE . . . -46.37 -53.72 10.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.597 ' HB3' ' CE2' ' A' ' 88' ' ' PHE . 5.5 mtpt -59.51 -36.51 76.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -67.27 -56.36 10.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.29 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.452 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 24.3 ptm -64.43 -28.01 69.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.816 HG21 ' HB2' ' A' ' 88' ' ' PHE . 27.2 mt -68.36 -40.57 82.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.422 ' CG ' ' O ' ' A' ' 54' ' ' LYS . 2.0 mt-30 -55.38 -55.14 35.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.291 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.687 ' HG3' ' HZ1' ' A' ' 63' ' ' LYS . 2.3 pt-20 -59.59 -33.93 72.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 110.315 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.569 ' N ' ' HG2' ' A' ' 59' ' ' GLU . . . -61.53 -30.86 70.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.555 HD12 ' O ' ' A' ' 57' ' ' ILE . 0.5 OUTLIER -70.74 -62.25 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.582 HG22 ' HA ' ' A' ' 59' ' ' GLU . 1.2 t -48.29 -35.43 12.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 110.462 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.687 ' HZ1' ' HG3' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -57.24 -47.6 80.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.579 ' CE1' ' HA3' ' A' ' 38' ' ' GLY . 18.9 m-85 -65.82 -37.58 86.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -48.95 -55.81 10.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 110.316 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.58 ' HB3' HD21 ' A' ' 34' ' ' LEU . 0.8 OUTLIER -64.87 -40.96 95.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.308 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.991 ' HB2' ' HG ' ' A' ' 34' ' ' LEU . . . -59.41 -34.22 72.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.852 HD21 HG23 ' A' ' 78' ' ' VAL . 7.2 mt -69.2 -31.7 70.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' A' ' 66' ' ' GLU . 0.4 OUTLIER -65.45 -34.89 79.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.946 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.809 HG21 ' O ' ' A' ' 29' ' ' LEU . 4.0 mt -73.18 -38.57 55.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -148.89 108.05 3.47 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -17.56 19.54 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.537 1.809 . . . . 0.0 111.021 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.9 ptpt -83.26 1.69 39.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.518 ' HB3' ' HB3' ' A' ' 77' ' ' ALA . 4.1 tppt? -68.31 76.63 0.26 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -52.44 -36.2 54.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.271 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 54.5 tt0 -64.07 -50.05 69.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.112 . . . . 0.0 110.25 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.518 ' HB3' ' HB3' ' A' ' 74' ' ' LYS . . . -54.89 -34.02 62.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.889 HG11 ' HB2' ' A' ' 111' ' ' GLN . 22.4 t -74.56 -53.23 17.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.564 ' NE1' ' ND2' ' A' ' 83' ' ' ASN . 0.9 OUTLIER -57.97 -46.25 85.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 108.041 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.494 ' HB3' ' CZ ' ' A' ' 64' ' ' PHE . 0.8 OUTLIER -50.08 -53.13 29.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 108.302 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.756 HG21 ' CZ ' ' A' ' 108' ' ' PHE . 60.0 mt -51.9 -37.61 21.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -70.04 -41.28 71.51 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.564 ' ND2' ' NE1' ' A' ' 79' ' ' TRP . 1.3 m-80 -64.53 -39.49 93.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 0.798 . . . . 0.0 109.287 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.447 ' HB1' ' CD1' ' A' ' 61' ' ' ILE . . . -64.03 -52.79 57.8 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.493 1.121 . . . . 0.0 109.326 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.559 ' CE2' HD13 ' A' ' 104' ' ' LEU . 6.1 m-85 -60.18 -50.53 73.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 53.4 m -54.99 -46.55 75.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 110.442 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.2 m -67.08 -52.06 46.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.018 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.816 ' HB2' HG21 ' A' ' 57' ' ' ILE . 36.0 t80 -53.38 -31.37 44.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.15 . . . . 0.0 110.995 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.02 -52.15 60.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.29 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -53.87 -22.4 9.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.992 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.894 HD22 ' CG1' ' A' ' 50' ' ' ILE . 9.5 mt -89.58 -28.96 19.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.255 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.402 ' C ' ' OH ' ' A' ' 140' ' ' TYR . 0.9 OUTLIER -86.17 121.31 72.71 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.39 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.602 ' HA ' ' CE2' ' A' ' 140' ' ' TYR . 18.3 Cg_endo -75.0 -27.58 9.89 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.516 1.798 . . . . 0.0 110.962 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -59.95 99.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 -50.96 -47.5 61.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 110.26 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.9 t -52.43 -44.86 65.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 110.334 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -75.55 -51.29 13.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.321 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.581 ' HB1' ' CD2' ' A' ' 136' ' ' HIS . . . -53.37 -52.95 57.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.62 -53.57 56.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -50.58 -39.56 50.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.612 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -65.73 -56.14 13.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.919 ' HB3' ' HB1' ' A' ' 132' ' ' ALA . 9.8 m-85 -51.87 -38.9 57.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.128 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -74.55 -20.07 60.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.559 HD13 ' CE2' ' A' ' 85' ' ' TYR . 0.0 OUTLIER -77.46 -52.03 9.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.614 ' HB1' ' CZ ' ' A' ' 109' ' ' PHE . . . -55.99 -24.48 39.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -61.96 -54.51 40.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 110.44 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.441 ' HG2' HD23 ' A' ' 104' ' ' LEU . 0.0 OUTLIER -58.87 -23.35 60.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.268 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.756 ' CZ ' HG21 ' A' ' 81' ' ' ILE . 10.6 m-85 -80.62 -47.03 14.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.958 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.614 ' CZ ' ' HB1' ' A' ' 105' ' ' ALA . 21.9 m-85 -53.88 -38.73 65.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -53.03 -30.6 36.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.326 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.889 ' HB2' HG11 ' A' ' 78' ' ' VAL . 36.9 mt-30 -81.41 -42.81 19.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.513 ' O ' ' CD2' ' A' ' 122' ' ' TYR . . . -61.02 -50.92 71.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.645 HG12 ' HB3' ' A' ' 122' ' ' TYR . 13.9 m -65.05 -34.77 72.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.9 -42.95 8.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.362 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -75.22 -43.91 49.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 110.303 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 21.3 mm100 -144.16 83.49 10.11 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.27 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.466 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.3 Cg_endo -74.97 -3.44 13.93 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.484 1.781 . . . . 0.0 110.974 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -101.16 -11.76 19.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.276 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -69.85 118.05 12.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.499 ' HA ' HD12 ' A' ' 123' ' ' LEU . 1.8 t -52.78 -40.07 62.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.394 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -58.5 -45.28 89.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.577 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.645 ' HB3' HG12 ' A' ' 113' ' ' VAL . 10.2 m-30 -78.58 -24.47 45.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 111.018 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.987 HD13 ' N ' ' A' ' 124' ' ' LYS . 0.0 OUTLIER -76.29 -50.98 12.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.987 ' N ' HD13 ' A' ' 123' ' ' LEU . 7.7 tptt -51.28 -45.46 62.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.11 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' SER . . . . . 0.417 ' O ' HG23 ' A' ' 129' ' ' THR . 0.0 OUTLIER -55.93 -42.17 75.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 0.0 109.966 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 15.6 tp -68.15 -40.1 82.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -68.01 -34.35 76.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.259 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' MET . . . . . 0.437 ' HE2' HD13 ' A' ' 135' ' ' LEU . 3.4 mtp -56.48 -32.12 64.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.675 ' HA ' ' HB2' ' A' ' 132' ' ' ALA . 17.0 p -67.73 -39.69 84.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.398 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -42.02 -29.15 0.21 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.127 . . . . 0.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.412 ' N ' ' C ' ' A' ' 129' ' ' THR . 8.8 mmtt -130.19 39.77 3.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.345 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.919 ' HB1' ' HB3' ' A' ' 102' ' ' PHE . . . -63.8 -51.46 64.77 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 133' ' ' PRO . . . . . 0.761 ' HD3' ' HB3' ' A' ' 132' ' ' ALA . 18.4 Cg_endo -74.98 -25.41 11.93 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.528 1.804 . . . . 0.0 111.008 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' GLN . . . . . 0.465 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 27.7 tp60 -80.52 -51.02 9.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.264 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.719 ' O ' ' HB2' ' A' ' 139' ' ' ALA . 54.0 mt -50.99 -41.93 59.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 136' ' ' HIS . . . . . 0.581 ' CD2' ' HB1' ' A' ' 98' ' ' ALA . 59.2 t-80 -67.29 -44.3 79.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.592 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.516 ' O ' ' CB ' ' A' ' 141' ' ' LYS . . . -62.06 -52.42 63.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.465 ' CG ' ' O ' ' A' ' 134' ' ' GLN . 0.0 OUTLIER -69.2 -27.82 65.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 110.308 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.719 ' HB2' ' O ' ' A' ' 135' ' ' LEU . . . -61.42 -49.19 77.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 140' ' ' TYR . . . . . 0.602 ' CE2' ' HA ' ' A' ' 93' ' ' PRO . 6.2 m-85 -87.16 -41.81 13.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.974 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 141' ' ' LYS . . . . . 0.516 ' CB ' ' O ' ' A' ' 137' ' ' ALA . 0.0 OUTLIER -55.4 -48.1 74.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 110.323 179.997 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.432 ' CG ' ' CE2' ' A' ' 13' ' ' PHE . 12.7 ttm180 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.789 HG23 ' CD2' ' A' ' 44' ' ' LEU . 52.1 mt -62.6 -39.59 85.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.6 mt -63.4 -36.34 83.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.271 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.506 HD12 ' CD1' ' A' ' 16' ' ' ILE . 0.1 OUTLIER -60.85 -52.77 63.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.526 ' HD1' HG23 ' A' ' 40' ' ' VAL . 21.4 m-85 -63.94 -27.98 69.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 111.016 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.467 ' CG ' ' O ' ' A' ' 10' ' ' ILE . 2.0 mm-40 -63.63 -58.35 7.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.322 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.481 ' HG3' ' N ' ' A' ' 16' ' ' ILE . 0.8 OUTLIER -53.09 -31.5 42.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.278 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.506 ' CD1' HD12 ' A' ' 12' ' ' LEU . 21.3 mt -71.39 -52.53 25.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -49.83 -48.46 50.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 110.263 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.433 ' HG3' ' N ' ' A' ' 19' ' ' ASP . 19.3 pt20 -64.81 -43.41 93.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.477 ' O ' ' CB ' ' A' ' 23' ' ' THR . 0.3 OUTLIER -65.48 -38.92 91.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.791 ' HB1' ' HB2' ' A' ' 37' ' ' TRP . . . -73.44 -57.49 3.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.538 ' HG3' ' CZ2' ' A' ' 37' ' ' TRP . 3.2 tt0 -50.59 -49.51 56.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 31.6 t30 -64.49 -47.62 78.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.602 HG21 ' ND2' ' A' ' 33' ' ' ASN . 2.1 m -53.9 -23.85 14.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.138 . . . . 0.0 110.38 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.457 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 8.4 t80 -53.3 -60.17 3.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.985 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.9 -32.45 70.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.9 t -71.75 -31.87 67.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 110.021 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 23' ' ' THR . 5.6 t-20 -152.98 81.92 5.07 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 15.04 0.77 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.518 1.799 . . . . 0.0 110.995 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.759 ' O ' HG21 ' A' ' 70' ' ' ILE . 13.2 mt -131.66 15.68 4.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.334 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.509 ' O ' ' CB ' ' A' ' 34' ' ' LEU . 1.8 m-20 -90.54 99.28 12.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.696 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . . . -68.03 -27.21 66.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.5 -53.77 12.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.602 ' ND2' HG21 ' A' ' 23' ' ' THR . 18.6 t-20 -71.29 -33.45 69.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.133 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 1.02 ' HG ' ' HB2' ' A' ' 67' ' ' ALA . 4.0 tp -66.89 -40.52 87.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.8 m -71.03 -51.57 24.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.381 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.578 ' HD2' ' HB2' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -58.27 -25.04 61.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.333 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.791 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . 14.5 t90 -67.75 -26.93 66.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 107.963 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.584 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -85.1 -57.71 2.21 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.475 1.109 . . . . 0.0 110.983 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -40.26 -43.66 2.78 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.526 HG23 ' HD1' ' A' ' 13' ' ' PHE . 2.8 p -67.36 -47.43 81.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.543 0.79 . . . . 0.0 109.291 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.564 HD22 ' HG2' ' A' ' 56' ' ' MET . 14.0 mt -48.63 -45.24 38.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.356 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.4 mt -65.57 -41.51 92.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.566 ' O ' ' CE1' ' A' ' 47' ' ' PHE . 8.2 mm-40 -59.74 -57.34 13.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 110.333 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.789 ' CD2' HG23 ' A' ' 10' ' ' ILE . 6.8 mt -59.02 -37.3 76.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.4 m -54.21 -21.75 9.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.028 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.613 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -68.06 -7.25 27.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.306 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.613 ' CZ ' ' HB3' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -158.02 47.98 0.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 110.982 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.499 ' NE2' HD22 ' A' ' 44' ' ' LEU . 2.0 m-70 -132.14 8.2 4.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.601 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.476 ' CB ' ' O ' ' A' ' 48' ' ' HIS . 0.3 OUTLIER 83.91 144.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.028 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.97 ' CG1' HD22 ' A' ' 91' ' ' LEU . 0.1 OUTLIER -56.84 -51.6 65.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.528 ' HA ' ' CE ' ' A' ' 54' ' ' LYS . 46.0 t -45.17 -56.6 4.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.997 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.3 -44.38 68.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.488 ' HB3' ' HA ' ' A' ' 50' ' ' ILE . . . -45.15 -55.11 6.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.528 ' CE ' ' HA ' ' A' ' 51' ' ' SER . 4.3 mtmp? -53.75 -47.14 70.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -62.48 -45.29 93.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 110.284 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.564 ' HG2' HD22 ' A' ' 41' ' ' LEU . 8.4 mtp -65.59 -30.28 70.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.824 HG21 ' HB2' ' A' ' 88' ' ' PHE . 38.9 mt -72.53 -49.36 42.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -47.83 -54.27 12.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.329 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.401 ' HA ' ' OG1' ' A' ' 62' ' ' THR . 3.9 pt-20 -65.47 -34.54 78.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.54 -33.42 71.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.441 HG22 ' N ' ' A' ' 62' ' ' THR . 0.5 OUTLIER -75.33 -58.53 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.441 ' N ' HG22 ' A' ' 61' ' ' ILE . 43.1 p -49.63 -25.65 3.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 110.437 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.566 ' HE3' ' CH2' ' A' ' 37' ' ' TRP . 0.2 OUTLIER -74.0 -44.21 55.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.584 ' CE1' ' HA3' ' A' ' 38' ' ' GLY . 22.2 m-85 -63.04 -44.57 95.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -48.51 -55.54 10.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 110.31 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.468 ' HB3' HD21 ' A' ' 34' ' ' LEU . 0.6 OUTLIER -62.23 -35.48 79.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 1.02 ' HB2' ' HG ' ' A' ' 34' ' ' LEU . . . -64.03 -39.3 93.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 109.305 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.576 HD21 HG23 ' A' ' 78' ' ' VAL . 13.1 mt -64.79 -31.53 72.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.425 HD12 ' HA ' ' A' ' 66' ' ' GLU . 0.5 OUTLIER -66.21 -33.77 76.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.822 HD12 ' HA ' ' A' ' 67' ' ' ALA . 5.6 mt -71.6 -41.9 71.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.562 1.163 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -155.06 114.42 2.34 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -4.71 15.81 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.489 1.784 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 75' ' ' ASP . 1.0 OUTLIER -82.55 -6.31 59.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.368 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.437 ' HB3' ' HB3' ' A' ' 77' ' ' ALA . 1.2 tptp -68.3 68.93 0.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.6 OUTLIER -51.91 -34.05 39.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.482 ' HG3' ' CE3' ' A' ' 79' ' ' TRP . 40.0 tt0 -65.62 -46.54 78.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.437 ' HB3' ' HB3' ' A' ' 74' ' ' LYS . . . -52.76 -31.4 38.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.948 HG11 ' HB2' ' A' ' 111' ' ' GLN . 27.7 t -74.51 -53.07 17.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.482 ' CE3' ' HG3' ' A' ' 76' ' ' GLU . 0.5 OUTLIER -59.3 -47.54 84.99 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.533 1.146 . . . . 0.0 108.014 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.576 ' HB3' ' CZ ' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -50.78 -51.68 48.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 108.31 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.807 HG21 ' CZ ' ' A' ' 108' ' ' PHE . 50.6 mt -52.09 -36.6 20.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -73.45 -42.77 40.01 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.48 1.113 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -64.47 -32.13 73.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 0.79 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.621 ' HB1' HG23 ' A' ' 57' ' ' ILE . . . -69.03 -55.16 11.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.415 ' CA ' ' OD1' ' A' ' 101' ' ' ASN . 7.2 m-85 -60.73 -46.3 90.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 90.1 m -55.21 -47.06 75.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 110.408 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.2 t -66.42 -50.65 62.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 110.009 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.824 ' HB2' HG21 ' A' ' 57' ' ' ILE . 10.7 t80 -52.92 -37.07 60.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.438 ' HB1' ' HB1' ' A' ' 98' ' ' ALA . . . -58.35 -50.04 75.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -57.08 -21.55 32.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.976 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.97 HD22 ' CG1' ' A' ' 50' ' ' ILE . 18.6 mt -94.69 -3.28 49.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.551 HG21 ' HB2' ' A' ' 97' ' ' GLU . 1.3 m -98.61 105.71 31.98 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 110.381 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.571 ' HA ' ' CE2' ' A' ' 140' ' ' TYR . 18.3 Cg_endo -75.06 -12.25 21.39 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.485 1.782 . . . . 0.0 111.0 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.632 ' O ' ' CB ' ' A' ' 95' ' ' GLU . 29.6 m-20 -58.66 -48.68 80.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.632 ' CB ' ' O ' ' A' ' 94' ' ' ASP . 2.5 mm-40 97.33 -55.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.6 t -59.32 -41.33 88.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.414 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.551 ' HB2' HG21 ' A' ' 92' ' ' THR . 3.2 mt-10 -74.3 -34.56 63.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.28 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.507 ' CB ' ' NE2' ' A' ' 136' ' ' HIS . . . -69.81 -52.57 23.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.74 -49.91 71.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -57.71 -35.89 71.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.624 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ASN . . . . . 0.434 ' HB3' ' HB2' ' A' ' 89' ' ' ALA . 0.3 OUTLIER -68.96 -48.86 62.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.604 ' CD1' ' HB1' ' A' ' 132' ' ' ALA . 6.2 m-85 -51.27 -44.8 61.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.952 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -71.7 -25.68 62.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.474 HD23 ' HA ' ' A' ' 104' ' ' LEU . 0.0 OUTLIER -72.8 -47.45 46.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.334 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.22 -23.92 67.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.9 m -67.34 -54.94 16.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 110.38 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.474 ' HG2' HD23 ' A' ' 104' ' ' LEU . 0.9 OUTLIER -51.72 -24.41 5.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 110.329 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.823 ' HD1' HG13 ' A' ' 78' ' ' VAL . 7.3 m-85 -83.24 -47.8 11.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.979 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.765 ' O ' HG13 ' A' ' 113' ' ' VAL . 15.7 m-85 -54.08 -25.15 20.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.143 . . . . 0.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.06 -30.22 70.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.948 ' HB2' HG11 ' A' ' 78' ' ' VAL . 36.2 mt-30 -81.21 -40.51 23.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.585 ' O ' ' CD2' ' A' ' 122' ' ' TYR . . . -63.57 -50.08 70.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.857 HG12 ' HB3' ' A' ' 122' ' ' TYR . 3.6 m -68.84 -38.46 78.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -44.79 -41.49 7.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.402 ' O ' ' OE1' ' A' ' 116' ' ' GLN . 1.8 mm-40 -75.08 -44.45 47.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 110.312 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.402 ' OE1' ' O ' ' A' ' 115' ' ' GLU . 17.0 mm100 -143.79 82.85 10.9 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.287 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.462 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.4 Cg_endo -75.01 -10.87 21.39 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.513 1.796 . . . . 0.0 111.033 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -91.48 -12.11 35.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -69.9 112.8 6.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.594 ' HA ' HD12 ' A' ' 123' ' ' LEU . 2.2 t -52.73 -22.92 5.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.458 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -70.46 -48.67 54.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.589 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.857 ' HB3' HG12 ' A' ' 113' ' ' VAL . 15.3 m-30 -79.19 -25.67 42.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 1.01 HD13 ' N ' ' A' ' 124' ' ' LYS . 0.0 OUTLIER -69.04 -50.15 51.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.137 . . . . 0.0 109.329 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 1.01 ' N ' HD13 ' A' ' 123' ' ' LEU . 4.2 mptt -50.3 -43.68 53.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' SER . . . . . 0.981 ' O ' HG23 ' A' ' 129' ' ' THR . 0.7 OUTLIER -55.48 -41.22 72.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.987 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.432 ' O ' ' OG1' ' A' ' 129' ' ' THR . 3.9 tp -69.49 -35.1 75.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.337 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -68.07 -43.56 78.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -64.67 -45.41 86.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.981 HG23 ' O ' ' A' ' 125' ' ' SER . 40.7 p -53.52 -31.95 48.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.39 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -40.7 -64.02 0.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 109.297 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.494 ' O ' ' CG ' ' A' ' 135' ' ' LEU . 0.4 OUTLIER -95.34 53.15 1.47 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.65 ' HB3' ' HD3' ' A' ' 133' ' ' PRO . . . -66.84 -48.33 52.18 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.343 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 133' ' ' PRO . . . . . 0.65 ' HD3' ' HB3' ' A' ' 132' ' ' ALA . 18.3 Cg_endo -75.03 -27.67 9.76 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.515 1.798 . . . . 0.0 110.954 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' GLN . . . . . 0.465 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 2.0 mm-40 -80.86 -47.1 14.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.295 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.727 ' O ' ' HB2' ' A' ' 139' ' ' ALA . 20.5 mt -52.61 -41.3 63.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 136' ' ' HIS . . . . . 0.507 ' NE2' ' CB ' ' A' ' 98' ' ' ALA . 27.4 t-80 -66.66 -44.7 81.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.616 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.521 ' O ' ' CB ' ' A' ' 141' ' ' LYS . . . -61.62 -53.29 58.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.465 ' CG ' ' O ' ' A' ' 134' ' ' GLN . 0.0 OUTLIER -68.99 -26.76 65.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.275 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.727 ' HB2' ' O ' ' A' ' 135' ' ' LEU . . . -59.11 -51.5 69.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 140' ' ' TYR . . . . . 0.571 ' CE2' ' HA ' ' A' ' 93' ' ' PRO . 8.0 m-85 -88.17 -42.92 12.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.989 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 141' ' ' LYS . . . . . 0.521 ' CB ' ' O ' ' A' ' 137' ' ' ALA . 0.0 OUTLIER -55.99 -47.75 77.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 142' ' ' GLN . . . . . 0.401 ' CB ' ' O ' ' A' ' 138' ' ' GLU . 3.2 tt0 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 110.331 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.442 ' CG ' ' CE2' ' A' ' 13' ' ' PHE . 8.3 ttm180 . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.34 -0.245 . . . . 0.0 110.34 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.726 HG23 ' CD2' ' A' ' 44' ' ' LEU . 35.1 mt -57.53 -43.43 83.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.346 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.494 HD23 ' N ' ' A' ' 11' ' ' LEU . 3.4 mt -57.01 -41.37 78.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.539 HD12 ' CD1' ' A' ' 16' ' ' ILE . 0.1 OUTLIER -58.78 -51.52 69.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.635 ' HB3' HG22 ' A' ' 40' ' ' VAL . 14.9 m-85 -63.73 -37.31 86.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 111.015 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.55 ' HG2' HD21 ' A' ' 44' ' ' LEU . 3.3 mm-40 -58.67 -58.36 8.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.108 . . . . 0.0 110.277 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.443 ' CG ' ' O ' ' A' ' 12' ' ' LEU . 5.5 pt20 -51.87 -29.06 18.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.266 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.539 ' CD1' HD12 ' A' ' 12' ' ' LEU . 7.9 mt -71.73 -53.08 21.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 109.342 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.4 ttt180 -49.06 -59.37 3.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.429 ' HG3' ' O ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -53.49 -37.72 62.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.404 ' HB2' ' O ' ' A' ' 15' ' ' GLN . 0.1 OUTLIER -68.46 -38.58 81.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.695 ' HB1' ' CG ' ' A' ' 37' ' ' TRP . . . -56.96 -41.34 78.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.627 ' HG2' ' CZ2' ' A' ' 37' ' ' TRP . 1.4 mt-10 -66.53 -39.42 88.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.32 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.418 ' N ' ' ND2' ' A' ' 22' ' ' ASN . 0.8 OUTLIER -74.72 -32.75 62.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.239 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.732 HG21 ' CG ' ' A' ' 33' ' ' ASN . 21.4 m -66.71 -23.18 66.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.418 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.475 ' O ' ' N ' ' A' ' 28' ' ' PRO . 0.0 OUTLIER -65.38 -62.96 1.22 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 110.975 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.32 -23.45 62.48 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.06 -25.67 25.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 110.008 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.494 ' C ' ' H ' ' A' ' 29' ' ' LEU . 2.6 t-20 -169.55 79.38 0.67 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.475 ' N ' ' O ' ' A' ' 24' ' ' TYR . 18.2 Cg_endo -74.99 20.78 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.514 1.797 . . . . 0.0 111.004 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.685 ' O ' HG21 ' A' ' 70' ' ' ILE . 13.0 mt -131.71 14.2 4.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.409 ' O ' ' HB2' ' A' ' 34' ' ' LEU . 1.0 OUTLIER -90.64 98.03 11.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.718 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . . . -69.77 -30.38 67.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -60.76 -54.59 43.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.252 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.732 ' CG ' HG21 ' A' ' 23' ' ' THR . 0.4 OUTLIER -71.24 -42.68 68.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.904 HD21 ' HB3' ' A' ' 66' ' ' GLU . 0.3 OUTLIER -51.05 -56.05 14.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.245 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 m -58.7 -34.58 71.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.401 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.437 ' CZ ' HD13 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -70.51 -26.16 63.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.113 . . . . 0.0 110.321 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.695 ' CG ' ' HB1' ' A' ' 20' ' ' ALA . 4.5 t90 -61.48 -26.73 68.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 107.98 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.599 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -83.66 -59.45 2.11 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.553 1.158 . . . . 0.0 110.961 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 38' ' ' GLY . . . -36.15 -46.07 0.94 Allowed Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.635 HG22 ' HB3' ' A' ' 13' ' ' PHE . 1.1 p -67.22 -49.61 70.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.511 0.771 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.497 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 12.1 mt -49.7 -44.16 47.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.0 mt -65.39 -38.34 89.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.494 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 8.0 mm-40 -63.53 -58.72 6.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.726 ' CD2' HG23 ' A' ' 10' ' ' ILE . 16.5 mt -62.03 -27.35 68.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.2 m -61.8 -35.01 76.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.977 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.432 ' HG2' ' N ' ' A' ' 47' ' ' PHE . 5.8 pt20 -61.57 -37.71 84.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.292 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.625 ' CZ ' ' CE1' ' A' ' 48' ' ' HIS . 0.0 OUTLIER -80.24 -30.88 38.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 111.017 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.625 ' CE1' ' CZ ' ' A' ' 47' ' ' PHE . 2.2 m170 -78.97 143.37 35.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.582 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.6 m -51.17 160.5 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.086 . . . . 0.0 110.037 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.569 ' HA ' ' HB3' ' A' ' 53' ' ' ALA . 0.1 OUTLIER -55.37 -48.02 77.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.1 p -44.56 -53.63 6.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 110.052 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -75.23 -38.34 60.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.569 ' HB3' ' HA ' ' A' ' 50' ' ' ILE . . . -46.61 -54.54 9.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.432 ' CD ' HG23 ' A' ' 50' ' ' ILE . 0.5 OUTLIER -50.68 -57.78 7.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -51.63 -49.25 62.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 85.6 mtp -60.94 -38.92 87.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 111.003 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.857 HG21 ' HB2' ' A' ' 88' ' ' PHE . 8.9 mt -68.02 -55.51 16.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.404 ' O ' ' HB ' ' A' ' 61' ' ' ILE . 2.1 mm100 -49.13 -46.42 45.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.581 ' HG3' ' HZ2' ' A' ' 63' ' ' LYS . 2.7 tp10 -66.59 -39.19 88.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.94 -31.63 70.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.661 HD12 ' O ' ' A' ' 57' ' ' ILE . 0.9 OUTLIER -62.39 -49.69 82.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.15 . . . . 0.0 109.312 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.493 ' OG1' ' O ' ' A' ' 59' ' ' GLU . 27.6 p -53.99 -42.88 69.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.164 . . . . 0.0 110.376 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.581 ' HZ2' ' HG3' ' A' ' 59' ' ' GLU . 11.7 mmtm -49.49 -56.0 11.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.599 ' CE1' ' HA3' ' A' ' 38' ' ' GLY . 14.6 m-85 -57.65 -44.58 85.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -47.96 -53.92 14.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.275 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.904 ' HB3' HD21 ' A' ' 34' ' ' LEU . 2.6 tp10 -65.04 -35.19 80.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.269 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.754 ' HB2' ' HG ' ' A' ' 34' ' ' LEU . . . -64.95 -45.42 85.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.689 HD21 HG23 ' A' ' 78' ' ' VAL . 10.5 mt -60.09 -31.69 70.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.617 HD12 ' HA ' ' A' ' 66' ' ' GLU . 1.1 mt -64.24 -43.53 94.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.718 ' HB ' ' HB2' ' A' ' 31' ' ' ALA . 6.1 mt -64.04 -44.42 97.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -150.6 112.74 3.2 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -6.9 18.65 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.504 1.791 . . . . 0.0 110.973 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 75' ' ' ASP . 31.1 mttt -82.75 -5.72 59.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.48 ' HB3' ' HB3' ' A' ' 77' ' ' ALA . 8.9 tptp -65.23 75.21 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.341 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 73' ' ' LYS . 2.5 p30 -52.09 -33.78 40.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.442 ' HG3' ' CE3' ' A' ' 79' ' ' TRP . 37.4 tt0 -66.45 -47.87 71.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.48 ' HB3' ' HB3' ' A' ' 74' ' ' LYS . . . -52.36 -32.3 37.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.943 HG11 ' HB2' ' A' ' 111' ' ' GLN . 27.8 t -74.6 -53.45 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.488 ' HD1' ' HG ' ' A' ' 125' ' ' SER . 0.5 OUTLIER -58.32 -46.91 85.27 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.597 ' SG ' ' CZ ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -51.07 -51.38 53.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 108.302 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.559 HG21 ' CZ ' ' A' ' 108' ' ' PHE . 49.4 mt -51.99 -39.75 26.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -70.87 -39.67 64.59 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.485 1.116 . . . . 0.0 110.986 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -64.64 -32.25 73.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 0.795 . . . . 0.0 109.329 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.565 ' HB1' ' CD1' ' A' ' 61' ' ' ILE . . . -70.02 -55.6 9.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.498 ' CE1' HG12 ' A' ' 61' ' ' ILE . 12.0 m-85 -59.14 -41.94 89.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 111.017 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 55.4 m -57.46 -48.26 79.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.403 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.4 m -65.89 -52.24 51.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.036 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.857 ' HB2' HG21 ' A' ' 57' ' ' ILE . 53.6 t80 -51.46 -40.33 59.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.98 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.654 ' HB1' ' CD2' ' A' ' 102' ' ' PHE . . . -56.08 -49.74 72.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.402 ' O ' ' OH ' ' A' ' 140' ' ' TYR . 38.8 m-85 -58.52 -18.64 30.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 111.044 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.553 HD22 ' CG1' ' A' ' 50' ' ' ILE . 8.3 mt -92.02 -25.55 18.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.63 120.01 64.17 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 110.432 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.436 ' HA ' ' CE2' ' A' ' 140' ' ' TYR . 18.3 Cg_endo -75.0 -23.21 14.03 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.477 1.777 . . . . 0.0 110.988 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.66 89.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 93' ' ' PRO . 91.4 mt-10 -41.51 -47.31 3.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.4 m -52.62 -54.69 29.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.432 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -68.51 -50.18 54.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.319 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -52.69 -54.03 39.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.98 -53.09 61.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -49.45 -45.64 46.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.583 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -68.86 -50.67 47.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.088 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.742 ' HD1' ' HB1' ' A' ' 132' ' ' ALA . 1.8 m-85 -52.83 -41.36 64.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.972 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.58 -20.91 59.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.538 HD23 ' HG2' ' A' ' 107' ' ' GLN . 0.1 OUTLIER -73.07 -46.66 50.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -58.7 -29.43 66.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 109.269 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.496 ' OG1' ' CG2' ' A' ' 129' ' ' THR . 20.3 m -61.77 -56.29 21.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 110.398 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.538 ' HG2' HD23 ' A' ' 104' ' ' LEU . 1.8 pt20 -54.66 -23.25 16.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.287 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.778 ' HD1' HG13 ' A' ' 78' ' ' VAL . 7.3 m-85 -83.3 -49.23 9.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 110.973 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.553 ' CE2' ' OG1' ' A' ' 129' ' ' THR . 20.5 m-85 -55.24 -20.1 10.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 111.007 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -73.9 -26.51 60.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.943 ' HB2' HG11 ' A' ' 78' ' ' VAL . 38.6 mt-30 -81.45 -42.95 19.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 110.283 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -50.76 -52.08 44.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.35 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.774 HG12 ' HB3' ' A' ' 122' ' ' TYR . 5.7 m -67.0 -37.53 79.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -45.32 -47.5 13.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -68.73 -40.43 79.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.312 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -157.29 90.01 2.47 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.297 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.443 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.3 Cg_endo -75.01 -3.15 13.5 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.479 1.778 . . . . 0.0 110.996 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.8 -11.99 52.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -68.41 116.81 9.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.332 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.407 HG23 ' H ' ' A' ' 120' ' ' THR . 37.7 p -56.52 -46.37 80.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.413 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 8.1 m80 -51.42 -59.48 4.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.591 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.774 ' HB3' HG12 ' A' ' 113' ' ' VAL . 10.9 m-30 -51.92 -33.61 37.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.924 ' O ' HD22 ' A' ' 123' ' ' LEU . 0.0 OUTLIER -65.99 -49.24 68.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.699 ' N ' HD13 ' A' ' 123' ' ' LEU . 13.6 tptt -63.62 -46.03 87.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.249 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' SER . . . . . 0.488 ' HG ' ' HD1' ' A' ' 79' ' ' TRP . 0.1 OUTLIER -57.24 -45.12 84.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 110.014 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 31.2 tp -72.13 -39.51 68.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.253 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.59 -46.93 83.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 110.359 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 6.0 mmm -63.74 -36.12 82.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.553 ' OG1' ' CE2' ' A' ' 109' ' ' PHE . 0.9 OUTLIER -59.78 -23.82 63.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.425 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -41.95 -59.06 1.84 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.095 . . . . 0.0 109.358 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.585 ' O ' HD12 ' A' ' 135' ' ' LEU . 1.8 mptm? -95.76 47.63 1.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 109.273 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.742 ' HB1' ' HD1' ' A' ' 102' ' ' PHE . . . -63.28 -49.93 77.19 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 133' ' ' PRO . . . . . 0.709 ' HD3' ' HB3' ' A' ' 132' ' ' ALA . 18.3 Cg_endo -75.02 -27.28 10.11 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.501 1.79 . . . . 0.0 110.989 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -78.37 -48.14 16.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.15 . . . . 0.0 110.327 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.661 ' O ' ' HB2' ' A' ' 139' ' ' ALA . 7.1 mt -48.45 -38.1 18.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.264 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 136' ' ' HIS . . . . . 0.602 ' CD2' ' CE1' ' A' ' 140' ' ' TYR . 31.2 t-80 -69.35 -44.34 71.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.618 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.536 ' O ' ' CB ' ' A' ' 141' ' ' LYS . . . -61.79 -51.8 66.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.25 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.493 ' CG ' ' HA ' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -68.98 -27.46 65.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 110.312 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.661 ' HB2' ' O ' ' A' ' 135' ' ' LEU . . . -69.1 -49.88 53.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 140' ' ' TYR . . . . . 0.602 ' CE1' ' CD2' ' A' ' 136' ' ' HIS . 5.8 m-85 -80.14 -33.04 38.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 110.945 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 141' ' ' LYS . . . . . 0.536 ' CB ' ' O ' ' A' ' 137' ' ' ALA . 0.0 OUTLIER -67.61 -48.04 67.94 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.113 . . . . 0.0 110.315 179.995 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.8 ttm180 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 59.0 mt -60.53 -43.5 94.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.494 HD23 ' N ' ' A' ' 11' ' ' LEU . 5.2 mt -55.46 -44.27 76.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.451 1.094 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.563 HD12 ' CD1' ' A' ' 16' ' ' ILE . 0.1 OUTLIER -55.26 -52.28 63.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.784 ' HB2' HD21 ' A' ' 44' ' ' LEU . 18.6 m-85 -64.02 -36.18 83.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.127 . . . . 0.0 110.996 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -56.01 -60.0 4.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.329 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.452 ' CG ' ' O ' ' A' ' 12' ' ' LEU . 8.2 pt20 -51.22 -31.33 20.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 110.312 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.563 ' CD1' HD12 ' A' ' 12' ' ' LEU . 22.4 mt -71.7 -51.68 30.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 -48.72 -58.2 5.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.315 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.451 ' NE2' ' HA ' ' A' ' 15' ' ' GLN . 0.1 OUTLIER -59.5 -39.31 83.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.268 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.466 ' O ' ' CB ' ' A' ' 23' ' ' THR . 0.3 OUTLIER -65.6 -40.74 93.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.983 ' HB1' ' HB2' ' A' ' 37' ' ' TRP . . . -73.56 -56.83 4.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.342 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.555 ' HG3' ' CZ2' ' A' ' 37' ' ' TRP . 8.8 tt0 -50.61 -50.15 54.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.436 1.085 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.6 t30 -64.12 -45.97 86.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.696 HG21 ' CG ' ' A' ' 33' ' ' ASN . 2.2 m -56.29 -24.47 43.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.118 . . . . 0.0 110.393 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.451 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 7.6 t80 -52.51 -60.04 3.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.979 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.64 -28.4 68.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.78 -31.41 68.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.016 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 23' ' ' THR . 1.2 t-20 -168.95 87.8 0.63 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 109.335 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 0.2 9.21 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.453 1.765 . . . . 0.0 110.975 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.79 ' O ' HG21 ' A' ' 70' ' ' ILE . 11.3 mt -93.47 -20.15 20.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.494 ' O ' ' CB ' ' A' ' 34' ' ' LEU . 11.4 t0 -64.84 99.62 0.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.748 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . . . -71.6 -28.14 63.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.76 -55.83 10.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.696 ' CG ' HG21 ' A' ' 23' ' ' THR . 25.3 t-20 -68.84 -34.58 75.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.957 HD21 ' HB3' ' A' ' 66' ' ' GLU . 0.2 OUTLIER -62.66 -56.29 19.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.1 m -58.9 -45.59 89.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.394 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -56.16 -42.66 77.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.281 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.983 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . 12.8 t90 -48.64 -26.58 2.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 107.991 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.497 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -83.95 -59.47 2.08 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.462 1.101 . . . . 0.0 110.997 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 38' ' ' GLY . . . -36.56 -45.84 1.03 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.5 HG22 ' HB3' ' A' ' 13' ' ' PHE . 0.4 OUTLIER -67.41 -48.62 76.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.551 0.795 . . . . 0.0 109.287 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.486 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 16.5 mt -48.21 -44.71 33.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 15.3 mt -65.56 -37.35 86.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.117 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -65.79 -58.91 4.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 110.293 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.784 HD21 ' HB2' ' A' ' 13' ' ' PHE . 67.3 mt -61.86 -27.03 68.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.0 -39.17 71.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.125 . . . . 0.0 110.003 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.509 ' HG2' ' N ' ' A' ' 47' ' ' PHE . 1.1 pt20 -67.9 -32.36 72.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.34 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.509 ' N ' ' HG2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -80.56 -22.11 41.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 111.053 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 6.2 m170 -80.01 -101.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.579 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 53.9 p -179.15 150.38 0.45 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.04 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.88 ' CG1' HD22 ' A' ' 91' ' ' LEU . 0.1 OUTLIER -45.4 -35.22 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 42.9 t -55.22 -56.73 16.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.967 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -81.69 -37.54 27.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.64 ' HB3' ' HA ' ' A' ' 50' ' ' ILE . . . -45.47 -52.16 10.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.469 ' CD ' HG23 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -49.49 -57.52 6.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.581 1.175 . . . . 0.0 109.274 -179.929 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -60.77 -45.04 95.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.325 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.436 ' HE3' ' O ' ' A' ' 41' ' ' LEU . 1.2 mmm -59.72 -34.05 72.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.974 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.819 HG21 ' HB2' ' A' ' 88' ' ' PHE . 26.8 mt -72.61 -47.0 52.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 109.289 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.476 ' O ' HG23 ' A' ' 62' ' ' THR . 2.8 mt-30 -48.38 -54.04 15.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.315 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.442 ' CG ' HD13 ' A' ' 41' ' ' LEU . 3.8 pt-20 -65.73 -35.57 81.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.309 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.425 ' N ' ' HG2' ' A' ' 59' ' ' GLU . . . -59.57 -29.14 67.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.565 HG12 ' CE1' ' A' ' 85' ' ' TYR . 0.5 OUTLIER -76.26 -57.71 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.476 HG23 ' O ' ' A' ' 58' ' ' GLN . 58.5 p -49.89 -23.84 2.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.422 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.557 ' HE3' ' CH2' ' A' ' 37' ' ' TRP . 0.1 OUTLIER -73.13 -51.06 19.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.497 ' CE1' ' HA3' ' A' ' 38' ' ' GLY . 17.1 m-85 -58.67 -42.36 88.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.58 -55.82 10.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.28 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.957 ' HB3' HD21 ' A' ' 34' ' ' LEU . 4.9 tt0 -60.67 -40.89 93.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.298 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.949 ' HB2' ' HG ' ' A' ' 34' ' ' LEU . . . -62.47 -37.88 87.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.611 HD21 HG23 ' A' ' 78' ' ' VAL . 5.6 mt -66.03 -28.68 69.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.439 HD12 ' HA ' ' A' ' 66' ' ' GLU . 0.6 OUTLIER -69.43 -41.62 76.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.79 HG21 ' O ' ' A' ' 29' ' ' LEU . 4.5 mt -64.8 -39.42 85.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -150.03 108.24 3.23 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -11.07 21.4 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.48 1.779 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.3 ptmm? -89.03 2.97 53.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.7 tptp -74.0 84.26 1.76 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.448 ' N ' ' OD1' ' A' ' 75' ' ' ASP . 0.3 OUTLIER -53.95 -38.06 64.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.482 ' HG3' ' CE3' ' A' ' 79' ' ' TRP . 1.7 tp10 -57.69 -51.82 67.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.27 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.443 ' CB ' ' HG ' ' A' ' 68' ' ' LEU . . . -53.08 -32.9 49.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.328 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.986 HG11 ' HB2' ' A' ' 111' ' ' GLN . 28.1 t -74.69 -53.24 17.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.482 ' CE3' ' HG3' ' A' ' 76' ' ' GLU . 0.4 OUTLIER -59.01 -45.5 90.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 107.998 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.494 ' HB3' ' CZ ' ' A' ' 64' ' ' PHE . 0.6 OUTLIER -50.43 -54.12 24.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 0.0 108.325 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.506 ' CD1' HD12 ' A' ' 68' ' ' LEU . 77.1 mt -51.88 -43.3 35.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -68.15 -39.73 88.35 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.519 1.137 . . . . 0.0 111.028 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 52.1 t-20 -64.5 -36.02 82.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.423 0.72 . . . . 0.0 109.309 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.581 ' HB1' HG23 ' A' ' 57' ' ' ILE . . . -68.89 -55.38 11.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.565 ' CE1' HG12 ' A' ' 61' ' ' ILE . 16.6 m-30 -54.25 -47.03 72.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 7.7 m -54.69 -53.07 59.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 110.4 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.403 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 11.3 t -62.36 -52.93 61.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.983 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.819 ' HB2' HG21 ' A' ' 57' ' ' ILE . 35.9 t80 -51.76 -33.3 34.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.661 ' HB1' ' CE2' ' A' ' 102' ' ' PHE . . . -64.1 -50.17 69.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.412 ' O ' ' OH ' ' A' ' 140' ' ' TYR . 32.3 m-85 -54.14 -19.0 4.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.987 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.88 HD22 ' CG1' ' A' ' 50' ' ' ILE . 0.9 OUTLIER -94.53 -21.29 18.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.321 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.412 ' N ' ' O ' ' A' ' 89' ' ' ALA . 0.9 OUTLIER -96.89 116.21 65.99 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.45 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.441 ' O ' ' N ' ' A' ' 95' ' ' GLU . 18.4 Cg_endo -74.96 -24.38 12.98 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.506 1.793 . . . . 0.0 111.042 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -58.86 86.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 93' ' ' PRO . 45.4 mt-10 -40.21 -46.84 2.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 110.306 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.496 HG23 ' N ' ' A' ' 97' ' ' GLU . 14.8 t -52.7 -53.26 50.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 110.386 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.496 ' N ' HG23 ' A' ' 96' ' ' THR . 6.4 mt-10 -70.61 -50.38 37.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 110.284 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -53.09 -54.41 35.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.2 ttmm -59.93 -47.2 86.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -53.01 -40.72 64.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.597 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ASN . . . . . 0.401 ' O ' ' N ' ' A' ' 104' ' ' LEU . 0.8 OUTLIER -73.2 -53.95 9.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.815 ' HD1' ' HB1' ' A' ' 132' ' ' ALA . 5.6 m-85 -50.95 -40.21 56.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.4 ' O ' ' HB ' ' A' ' 106' ' ' THR . 1.5 m-20 -74.76 -19.39 60.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.542 HD22 ' HE2' ' A' ' 108' ' ' PHE . 0.3 OUTLIER -77.76 -53.27 7.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -51.53 -25.96 7.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.528 ' OG1' ' CG2' ' A' ' 129' ' ' THR . 2.8 m -62.52 -55.04 31.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.434 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -54.95 -25.01 26.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.128 . . . . 0.0 110.311 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.797 ' HD1' HG13 ' A' ' 78' ' ' VAL . 20.3 m-85 -82.33 -46.36 13.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.998 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.5 ' HB3' HD13 ' A' ' 126' ' ' LEU . 7.7 m-85 -53.99 -28.31 37.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.951 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -71.87 -24.67 61.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.986 ' HB2' HG11 ' A' ' 78' ' ' VAL . 33.6 mt-30 -81.0 -36.0 31.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 110.333 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.43 -52.45 64.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.539 HG12 ' HB3' ' A' ' 122' ' ' TYR . 6.1 m -65.49 -37.23 79.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -45.3 -52.7 9.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -65.44 -43.9 89.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.265 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -153.64 91.01 3.31 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.29 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.473 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.1 Cg_endo -75.07 -4.46 15.42 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.47 1.774 . . . . 0.0 110.97 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.58 -12.2 52.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.31 115.16 4.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 72.4 p -57.64 -38.29 74.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.414 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 5.9 m80 -58.21 -59.55 5.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.594 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.539 ' HB3' HG12 ' A' ' 113' ' ' VAL . 11.8 m-30 -53.18 -37.32 61.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.989 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.942 ' O ' HD22 ' A' ' 123' ' ' LEU . 0.0 OUTLIER -60.3 -48.1 83.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.682 ' N ' HD13 ' A' ' 123' ' ' LEU . 0.2 OUTLIER -65.74 -39.29 90.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 125' ' ' SER . . . . . 0.422 ' O ' ' OG1' ' A' ' 129' ' ' THR . 0.7 OUTLIER -60.01 -54.49 45.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.962 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.5 HD13 ' HB3' ' A' ' 109' ' ' PHE . 21.0 tp -65.22 -46.43 80.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -50.44 -47.05 56.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.295 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 2.9 mtp -68.38 -28.51 67.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.95 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.528 ' CG2' ' OG1' ' A' ' 106' ' ' THR . 25.8 m -61.37 -22.5 65.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.362 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -51.28 -42.77 61.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.431 1.082 . . . . 0.0 109.303 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.444 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 0.1 OUTLIER -113.86 41.39 2.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.815 ' HB1' ' HD1' ' A' ' 102' ' ' PHE . . . -59.93 -53.56 64.08 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 133' ' ' PRO . . . . . 0.79 ' HD3' ' HB3' ' A' ' 132' ' ' ALA . 18.3 Cg_endo -74.96 -21.33 16.06 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.488 1.783 . . . . 0.0 111.013 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 64.7 tp60 -80.46 -49.43 11.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.28 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.634 ' O ' ' HB2' ' A' ' 139' ' ' ALA . 6.9 mt -49.77 -42.92 47.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 136' ' ' HIS . . . . . 0.59 ' HB2' ' CE2' ' A' ' 102' ' ' PHE . 6.7 t-80 -66.63 -42.99 85.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 109.633 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.439 ' O ' ' HB2' ' A' ' 141' ' ' LYS . . . -62.05 -53.58 53.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.457 ' CG ' ' HA ' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -67.77 -37.02 81.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.303 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.634 ' HB2' ' O ' ' A' ' 135' ' ' LEU . . . -57.47 -36.81 71.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.423 1.077 . . . . 0.0 109.286 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 140' ' ' TYR . . . . . 0.473 ' CD1' ' O ' ' A' ' 136' ' ' HIS . 3.9 m-85 -88.25 -42.57 12.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 111.014 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 141' ' ' LYS . . . . . 0.439 ' HB2' ' O ' ' A' ' 137' ' ' ALA . 0.0 OUTLIER -62.44 -47.9 82.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 110.323 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.463 ' HG2' ' CE2' ' A' ' 13' ' ' PHE . 13.7 ttm180 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.764 HG23 ' CD2' ' A' ' 44' ' ' LEU . 90.5 mt -58.97 -45.33 92.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.2 mt -57.12 -34.72 68.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.127 . . . . 0.0 109.261 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.742 ' CD1' HD11 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -66.67 -49.09 67.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.268 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.687 ' HA ' HD12 ' A' ' 16' ' ' ILE . 11.4 m-85 -63.89 -34.67 78.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -55.74 -51.94 65.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 110.328 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.523 ' HG3' ' N ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -63.17 -28.06 69.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.302 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.742 HD11 ' CD1' ' A' ' 12' ' ' LEU . 72.6 mt -71.5 -53.44 20.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.373 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.563 ' HE ' HD21 ' A' ' 41' ' ' LEU . 3.4 ttt180 -55.14 -35.62 64.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 110.326 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.411 ' O ' ' HB3' ' A' ' 22' ' ' ASN . 6.2 tt0 -69.36 -53.89 17.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.297 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.492 ' O ' ' OD1' ' A' ' 22' ' ' ASN . 0.2 OUTLIER -65.01 -31.75 73.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.565 ' HB1' ' HB2' ' A' ' 37' ' ' TRP . . . -73.61 -46.12 48.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.585 ' HG3' ' CZ2' ' A' ' 37' ' ' TRP . 12.0 tt0 -66.67 -46.26 76.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.3 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.492 ' OD1' ' O ' ' A' ' 19' ' ' ASP . 0.2 OUTLIER -64.97 -42.62 94.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.691 HG21 ' CG ' ' A' ' 33' ' ' ASN . 2.0 m -55.99 -25.06 42.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.425 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -53.05 -60.01 3.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 110.955 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.26 -27.73 69.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.58 -36.16 73.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.049 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -169.47 89.98 0.57 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.329 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 0.63 8.65 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.486 1.782 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.811 ' O ' HG21 ' A' ' 70' ' ' ILE . 10.3 mt -93.54 -19.65 21.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.342 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.41 ' O ' ' CB ' ' A' ' 34' ' ' LEU . 0.5 OUTLIER -65.49 101.85 0.64 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.746 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . . . -72.88 -22.39 60.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -69.85 -56.07 8.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.691 ' CG ' HG21 ' A' ' 23' ' ' THR . 24.1 t-20 -70.81 -35.89 72.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.947 ' HG ' ' HB2' ' A' ' 67' ' ' ALA . 0.7 OUTLIER -61.33 -51.65 67.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.0 m -63.56 -33.06 74.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.402 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.46 -41.84 72.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.286 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.585 ' CZ2' ' HG3' ' A' ' 21' ' ' GLU . 12.0 t90 -50.81 -27.34 7.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 108.024 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.567 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -84.53 -57.18 2.37 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -37.78 -45.77 1.57 Allowed Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.566 HG21 ' HB ' ' A' ' 16' ' ' ILE . 0.5 OUTLIER -67.35 -48.15 78.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.488 0.758 . . . . 0.0 109.279 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.563 HD21 ' HE ' ' A' ' 17' ' ' ARG . 13.5 mt -48.57 -44.16 36.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.468 HD13 ' OD1' ' A' ' 83' ' ' ASN . 14.9 mt -65.5 -37.15 85.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.422 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 18.5 mm-40 -65.55 -58.88 4.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.323 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.764 ' CD2' HG23 ' A' ' 10' ' ' ILE . 20.5 mt -62.04 -26.89 68.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.86 -37.0 63.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.98 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.436 ' HG2' ' N ' ' A' ' 47' ' ' PHE . 5.0 pt20 -67.87 -35.88 79.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.633 ' CE2' ' CE1' ' A' ' 48' ' ' HIS . 0.0 OUTLIER -80.62 -34.94 34.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.977 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.633 ' CE1' ' CE2' ' A' ' 47' ' ' PHE . 2.1 m170 -78.73 142.77 36.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.591 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.1 m -41.27 152.85 0.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.997 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.982 ' CG1' HD22 ' A' ' 91' ' ' LEU . 0.4 OUTLIER -55.53 -51.16 60.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.462 ' N ' HG22 ' A' ' 50' ' ' ILE . 14.0 t -46.55 -56.36 6.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.994 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.412 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 1.1 m-20 -67.58 -33.17 74.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.628 ' O ' HD12 ' A' ' 57' ' ' ILE . . . -59.2 -38.05 78.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.4 mtpt -65.53 -58.37 5.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.317 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.412 ' HG2' ' O ' ' A' ' 52' ' ' ASP . 6.0 pt20 -59.4 -35.74 74.53 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.427 1.079 . . . . 0.0 110.319 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.421 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 79.4 mtp -68.41 -34.03 75.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 110.991 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.649 HG23 ' HB1' ' A' ' 84' ' ' ALA . 17.4 mt -72.96 -36.53 51.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.266 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -56.39 -54.63 43.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.342 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.766 ' HG3' ' HZ1' ' A' ' 63' ' ' LYS . 2.9 pt-20 -60.96 -33.4 73.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.274 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.48 ' N ' ' HG2' ' A' ' 59' ' ' GLU . . . -60.18 -40.65 90.71 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -65.54 -55.37 20.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 59' ' ' GLU . 61.7 p -49.63 -29.07 6.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.377 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.766 ' HZ1' ' HG3' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -69.42 -49.61 53.54 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.567 ' CE1' ' HA3' ' A' ' 38' ' ' GLY . 19.0 m-85 -60.4 -39.09 86.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 111.023 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -48.77 -55.66 10.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 110.281 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.625 ' HB3' HD21 ' A' ' 34' ' ' LEU . 0.8 OUTLIER -65.14 -39.9 93.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.312 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.947 ' HB2' ' HG ' ' A' ' 34' ' ' LEU . . . -60.06 -34.67 73.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.674 HD21 HG23 ' A' ' 78' ' ' VAL . 5.8 mt -69.0 -30.93 69.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.426 HD12 ' HA ' ' A' ' 66' ' ' GLU . 0.4 OUTLIER -66.82 -31.42 72.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.811 HG21 ' O ' ' A' ' 29' ' ' LEU . 4.5 mt -75.56 -38.13 38.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -152.1 107.31 2.82 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.25 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -16.84 19.98 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.467 1.772 . . . . 0.0 111.065 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.9 pttt -82.88 1.36 39.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.4 75.85 0.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.479 ' HB3' ' CG ' ' A' ' 115' ' ' GLU . 0.0 OUTLIER -51.39 -25.52 6.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.505 ' HG3' ' CE3' ' A' ' 79' ' ' TRP . 8.9 tt0 -70.02 -52.92 20.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.325 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.29 -31.94 35.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.354 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.99 HG11 ' HB2' ' A' ' 111' ' ' GLN . 33.2 t -74.72 -53.51 16.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.505 ' CE3' ' HG3' ' A' ' 76' ' ' GLU . 0.3 OUTLIER -58.19 -46.54 85.6 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.465 ' HB3' ' CZ ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -50.41 -52.97 32.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 108.29 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.628 HG21 ' CZ ' ' A' ' 108' ' ' PHE . 57.7 mt -51.98 -40.38 28.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -70.85 -40.94 63.52 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.48 1.113 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.468 ' OD1' HD13 ' A' ' 42' ' ' LEU . 5.3 t-20 -64.6 -32.88 74.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 0.793 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.649 ' HB1' HG23 ' A' ' 57' ' ' ILE . . . -69.5 -55.59 9.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.72 ' CE2' HD13 ' A' ' 104' ' ' LEU . 8.0 m-85 -59.98 -43.02 95.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 38.6 m -54.8 -46.19 74.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 110.378 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.406 ' O ' ' HB2' ' A' ' 90' ' ' PHE . 4.8 m -67.09 -50.15 62.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.987 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.436 ' HB2' HG21 ' A' ' 57' ' ' ILE . 2.7 t80 -52.57 -38.23 59.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.652 ' HB1' ' CE2' ' A' ' 102' ' ' PHE . . . -57.98 -47.86 81.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.406 ' HB2' ' O ' ' A' ' 87' ' ' SER . 35.1 m-85 -59.78 -20.78 58.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.982 HD22 ' CG1' ' A' ' 50' ' ' ILE . 19.9 mt -94.28 -5.75 46.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -97.24 109.24 48.78 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.399 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.59 ' HA ' ' CE2' ' A' ' 140' ' ' TYR . 18.2 Cg_endo -75.01 -16.93 19.92 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.53 1.805 . . . . 0.0 111.005 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.506 ' O ' ' CG ' ' A' ' 95' ' ' GLU . 13.2 t70 -61.18 -126.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.342 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.506 ' CG ' ' O ' ' A' ' 94' ' ' ASP . 2.4 mt-10 -171.71 -55.88 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 110.329 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.2 t -56.34 -36.8 69.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.113 . . . . 0.0 110.401 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -76.03 -39.35 55.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.271 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -69.44 -55.34 10.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.47 -51.38 55.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.42 ' O ' ' HB2' ' A' ' 104' ' ' LEU . 2.0 t-80 -55.7 -49.47 72.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.608 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -58.23 -57.65 11.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.869 ' CD1' ' HB1' ' A' ' 132' ' ' ALA . 13.9 m-85 -50.32 -40.48 48.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 110.955 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.88 -25.9 59.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.72 HD13 ' CE2' ' A' ' 85' ' ' TYR . 0.0 OUTLIER -73.65 -53.02 11.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.302 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -58.89 -23.92 61.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.519 ' OG1' ' CG2' ' A' ' 129' ' ' THR . 3.7 m -66.71 -55.24 15.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 110.415 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.403 ' CG ' ' O ' ' A' ' 104' ' ' LEU . 2.2 pt20 -55.49 -23.48 26.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.868 ' HD1' HG13 ' A' ' 78' ' ' VAL . 17.6 m-85 -82.73 -46.83 12.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.586 ' CE2' ' OG1' ' A' ' 129' ' ' THR . 9.6 m-85 -54.27 -25.34 22.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.157 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.9 -28.18 61.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.99 ' HB2' HG11 ' A' ' 78' ' ' VAL . 35.8 mt-30 -81.67 -33.6 31.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 110.274 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.81 -53.69 54.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.615 HG12 ' HB3' ' A' ' 122' ' ' TYR . 8.1 m -64.61 -37.72 80.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.05 -52.49 8.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.479 ' CG ' ' HB3' ' A' ' 75' ' ' ASP . 5.9 mm-40 -62.76 -40.19 96.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 110.301 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -161.31 92.17 1.47 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.243 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.478 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.4 Cg_endo -75.0 -6.14 17.68 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.531 1.806 . . . . 0.0 111.028 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -85.98 5.88 31.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -83.02 117.75 23.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 81.0 p -57.85 -36.69 72.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.349 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 6.6 m80 -62.41 -59.53 4.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.113 . . . . 0.0 109.567 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.615 ' HB3' HG12 ' A' ' 113' ' ' VAL . 8.6 m-30 -54.87 -33.14 61.57 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.983 ' O ' HD22 ' A' ' 123' ' ' LEU . 0.0 OUTLIER -63.92 -44.15 93.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.635 ' N ' HD13 ' A' ' 123' ' ' LEU . 0.5 OUTLIER -70.72 -40.49 72.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 125' ' ' SER . . . . . 0.57 ' HB3' ' CE1' ' A' ' 109' ' ' PHE . 1.0 OUTLIER -58.16 -55.47 34.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 110.036 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 19.9 tp -66.3 -42.05 88.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.323 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.431 ' CB ' ' O ' ' A' ' 123' ' ' LEU . 1.1 tp10 -57.44 -47.68 81.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.239 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 3.1 mtp -67.0 -29.13 68.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 110.977 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.586 ' OG1' ' CE2' ' A' ' 109' ' ' PHE . 89.4 m -61.15 -18.49 58.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.406 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -51.48 -62.9 1.34 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.452 ' O ' HD12 ' A' ' 135' ' ' LEU . 1.6 mtmt -91.03 46.85 1.35 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.869 ' HB1' ' CD1' ' A' ' 102' ' ' PHE . . . -63.95 -48.33 78.54 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 133' ' ' PRO . . . . . 0.653 ' HD3' ' HB3' ' A' ' 132' ' ' ALA . 18.3 Cg_endo -74.97 -25.88 11.5 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.521 1.8 . . . . 0.0 111.049 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 9.6 mm100 -80.52 -47.37 14.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.259 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.733 ' O ' ' HB2' ' A' ' 139' ' ' ALA . 10.9 mt -49.6 -40.18 37.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 136' ' ' HIS . . . . . 0.563 ' HB2' ' CE2' ' A' ' 102' ' ' PHE . 43.8 t-80 -66.71 -44.31 81.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.593 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.533 ' O ' ' CB ' ' A' ' 141' ' ' LYS . . . -61.89 -52.97 61.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.504 ' O ' ' CG ' ' A' ' 142' ' ' GLN . 0.0 OUTLIER -69.3 -26.69 64.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.26 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.733 ' HB2' ' O ' ' A' ' 135' ' ' LEU . . . -62.09 -49.78 74.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 140' ' ' TYR . . . . . 0.59 ' CE2' ' HA ' ' A' ' 93' ' ' PRO . 6.7 m-85 -87.35 -40.81 14.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 141' ' ' LYS . . . . . 0.533 ' CB ' ' O ' ' A' ' 137' ' ' ALA . 1.3 ttpp -55.2 -47.56 75.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 142' ' ' GLN . . . . . 0.504 ' CG ' ' O ' ' A' ' 138' ' ' GLU . 7.1 pt20 . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.137 . . . . 0.0 110.296 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.0 ttm180 . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.668 HG23 ' CD2' ' A' ' 44' ' ' LEU . 25.1 mt -64.96 -34.75 72.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.409 HD23 ' N ' ' A' ' 11' ' ' LEU . 6.8 mt -68.05 -38.16 82.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.649 ' CD1' HD11 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -61.32 -48.84 79.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.334 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.598 ' HD1' HG23 ' A' ' 40' ' ' VAL . 14.2 m-85 -63.99 -36.47 84.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.479 ' CG ' ' O ' ' A' ' 10' ' ' ILE . 2.3 mm-40 -57.45 -55.61 32.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 110.285 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.452 ' HG3' ' N ' ' A' ' 16' ' ' ILE . 8.6 pt20 -56.74 -29.8 62.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.32 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.649 HD11 ' CD1' ' A' ' 12' ' ' LEU . 50.6 mt -71.4 -54.79 16.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.342 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 21' ' ' GLU . 4.4 ttt180 -56.46 -51.79 67.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 110.317 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.432 ' O ' ' CG ' ' A' ' 22' ' ' ASN . 9.3 tt0 -49.2 -48.52 45.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.307 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.9 -54.49 11.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.802 ' HB1' ' HB2' ' A' ' 37' ' ' TRP . . . -49.6 -36.82 25.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.549 ' HG3' ' CZ2' ' A' ' 37' ' ' TRP . 3.1 tt0 -66.38 -40.6 89.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.432 ' CG ' ' O ' ' A' ' 18' ' ' GLN . 3.3 m-20 -73.38 -25.96 60.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.851 HG22 ' OD2' ' A' ' 30' ' ' ASP . 46.3 m -64.75 -22.89 67.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.383 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.487 ' CE1' HD21 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -63.05 -63.7 1.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 111.019 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -23.39 63.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.86 -30.04 35.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 0.0 110.024 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.425 ' O ' ' CG ' ' A' ' 30' ' ' ASP . 0.8 OUTLIER -169.78 94.4 0.51 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -7.88 19.59 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.495 1.787 . . . . 0.0 111.002 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.592 ' O ' HG21 ' A' ' 70' ' ' ILE . 12.3 mt -91.95 3.1 55.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.851 ' OD2' HG22 ' A' ' 23' ' ' THR . 38.1 p-10 -81.72 98.4 8.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.742 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . . . -75.95 -51.9 11.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.438 ' HA ' ' CE ' ' A' ' 74' ' ' LYS . 26.2 t70 -47.89 -56.28 7.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.515 ' CG ' HG21 ' A' ' 23' ' ' THR . 3.9 m120 -59.57 -35.67 74.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.701 ' HB3' ' HB2' ' A' ' 67' ' ' ALA . 0.9 OUTLIER -60.27 -49.32 78.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 39.4 m -58.38 -37.85 76.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.38 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -70.47 -47.12 62.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.315 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.802 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . 16.3 t90 -54.23 -26.93 31.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 108.018 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.53 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -86.82 -56.01 2.3 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.521 1.138 . . . . 0.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -46.33 -39.92 10.29 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.598 HG23 ' HD1' ' A' ' 13' ' ' PHE . 3.8 p -67.41 -48.65 76.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.51 0.771 . . . . 0.0 109.268 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.84 HD22 ' HG2' ' A' ' 56' ' ' MET . 20.6 mt -48.75 -49.03 40.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.446 HD13 ' OD1' ' A' ' 83' ' ' ASN . 18.6 mt -58.03 -45.58 86.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 109.262 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.568 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 7.5 mm-40 -55.45 -53.91 50.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 110.295 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.668 ' CD2' HG23 ' A' ' 10' ' ' ILE . 34.2 mt -61.66 -38.18 86.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.37 -15.11 22.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.97 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.596 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 3.3 tt0 -67.94 -8.23 35.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.262 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.596 ' CZ ' ' HB3' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -158.21 66.38 0.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 110.974 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.635 ' O ' ' C ' ' A' ' 49' ' ' SER . 11.0 m80 -157.12 122.17 4.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.627 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.635 ' C ' ' O ' ' A' ' 48' ' ' HIS . 20.2 m -17.11 126.48 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.021 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.93 ' CG1' HD22 ' A' ' 91' ' ' LEU . 0.3 OUTLIER -46.64 -45.84 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 41.6 t -47.08 -50.65 19.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.034 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -77.33 -40.13 45.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.573 ' HB2' ' O ' ' A' ' 48' ' ' HIS . . . -46.77 -54.6 9.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.437 ' CD ' HG23 ' A' ' 50' ' ' ILE . 0.5 OUTLIER -51.69 -58.21 7.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -50.6 -44.82 57.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.341 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.84 ' HG2' HD22 ' A' ' 41' ' ' LEU . 2.2 ttp -64.74 -34.22 77.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 111.018 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.789 HG21 ' HB2' ' A' ' 88' ' ' PHE . 40.2 mt -73.06 -52.5 21.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -46.89 -55.05 8.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.314 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.514 ' HG3' ' HZ1' ' A' ' 63' ' ' LYS . 3.1 pt-20 -59.15 -37.53 77.54 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.512 1.133 . . . . 0.0 110.281 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.447 ' N ' ' HG2' ' A' ' 59' ' ' GLU . . . -59.9 -28.53 67.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.557 HG12 ' CE1' ' A' ' 85' ' ' TYR . 1.1 mt -78.16 -54.5 12.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 42.3 p -48.99 -29.27 4.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.39 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.616 ' O ' HD22 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -73.12 -47.48 43.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.27 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.582 ' CZ ' ' HB3' ' A' ' 80' ' ' CYS . 21.9 m-85 -56.37 -38.46 71.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 110.986 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -55.96 -51.13 68.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.323 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.72 ' HA ' HD12 ' A' ' 69' ' ' LEU . 1.2 tp10 -61.43 -37.96 85.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.269 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.701 ' HB2' ' HB3' ' A' ' 34' ' ' LEU . . . -62.35 -42.5 99.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.736 HD21 HG23 ' A' ' 78' ' ' VAL . 19.7 mt -62.88 -29.26 70.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.72 HD12 ' HA ' ' A' ' 66' ' ' GLU . 67.4 mt -68.87 -42.12 77.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.742 ' HB ' ' HB2' ' A' ' 31' ' ' ALA . 6.0 mt -65.15 -42.77 95.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.345 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -154.52 116.14 2.49 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 -5.5 16.86 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.488 1.783 . . . . 0.0 110.984 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 75' ' ' ASP . 9.6 mmmm -82.8 -4.28 57.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.438 ' CE ' ' HA ' ' A' ' 32' ' ' ASP . 3.9 tptp -68.08 70.46 0.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.256 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.6 OUTLIER -52.09 -36.32 50.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.511 ' HG3' ' CE3' ' A' ' 79' ' ' TRP . 30.8 tt0 -62.22 -49.32 76.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.147 . . . . 0.0 110.334 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.47 -32.24 38.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.361 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.96 HG11 ' HB2' ' A' ' 111' ' ' GLN . 25.0 t -74.46 -53.26 17.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.349 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.511 ' CE3' ' HG3' ' A' ' 76' ' ' GLU . 0.4 OUTLIER -58.99 -47.35 85.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 107.969 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.582 ' HB3' ' CZ ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -51.01 -50.42 58.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 108.291 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.472 HG23 ' CZ ' ' A' ' 85' ' ' TYR . 45.6 mt -51.9 -45.4 39.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -64.83 -40.82 97.6 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.488 1.117 . . . . 0.0 111.026 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.446 ' OD1' HD13 ' A' ' 42' ' ' LEU . 14.7 t-20 -64.4 -37.0 86.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 0.757 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.517 ' HB1' HG23 ' A' ' 57' ' ' ILE . . . -66.01 -55.03 18.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.557 ' CE1' HG12 ' A' ' 61' ' ' ILE . 18.8 m-30 -54.2 -45.59 72.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 0.0 110.978 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.781 HG23 ' CE1' ' A' ' 102' ' ' PHE . 25.7 m -57.58 -50.88 71.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.393 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 16.9 t -61.95 -51.22 69.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.004 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.789 ' HB2' HG21 ' A' ' 57' ' ' ILE . 50.5 t80 -56.36 -31.58 63.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 110.995 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.85 -50.81 67.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.437 ' O ' ' CE1' ' A' ' 140' ' ' TYR . 39.8 m-85 -53.73 -25.06 16.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 111.022 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.93 HD22 ' CG1' ' A' ' 50' ' ' ILE . 19.0 mt -89.7 -19.93 24.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -92.2 118.05 67.96 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 110.361 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.59 ' HA ' ' CE2' ' A' ' 140' ' ' TYR . 18.3 Cg_endo -74.97 -23.95 13.36 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.485 1.781 . . . . 0.0 111.005 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.45 84.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 93' ' ' PRO . 47.4 mt-10 -38.71 -47.69 1.39 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 110.316 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.2 m -52.87 -54.7 30.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 110.355 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -66.62 -50.22 63.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.473 ' HB1' ' CD2' ' A' ' 136' ' ' HIS . . . -53.06 -53.32 51.96 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.507 1.13 . . . . 0.0 109.306 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -59.52 -50.01 75.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -48.74 -49.0 40.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.56 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -57.11 -56.26 24.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.83 ' HB3' ' HB1' ' A' ' 132' ' ' ALA . 8.1 m-85 -51.01 -41.84 60.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 111.005 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.4 ' O ' ' HB ' ' A' ' 106' ' ' THR . 0.4 OUTLIER -74.17 -19.2 60.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.504 HD23 ' HG2' ' A' ' 107' ' ' GLN . 0.0 OUTLIER -80.51 -49.75 10.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.632 ' HB1' ' CZ ' ' A' ' 109' ' ' PHE . . . -54.47 -24.16 19.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.4 ' HB ' ' O ' ' A' ' 103' ' ' ASP . 1.8 m -59.25 -54.97 40.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.41 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.504 ' HG2' HD23 ' A' ' 104' ' ' LEU . 0.9 OUTLIER -58.37 -23.22 56.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.273 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.688 ' HD1' HG13 ' A' ' 78' ' ' VAL . 8.0 m-85 -82.93 -47.08 12.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 110.964 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.632 ' CZ ' ' HB1' ' A' ' 105' ' ' ALA . 22.1 m-85 -53.25 -38.07 62.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 110.989 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -55.09 -32.28 61.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.96 ' HB2' HG11 ' A' ' 78' ' ' VAL . 59.8 mt-30 -76.99 -40.47 46.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.326 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.57 -55.04 26.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.667 HG12 ' HB3' ' A' ' 122' ' ' TYR . 12.1 m -65.9 -33.23 62.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.279 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.22 -44.33 7.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 109.249 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.417 ' C ' ' HG2' ' A' ' 116' ' ' GLN . 17.7 mm-40 -74.89 -44.06 50.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 110.316 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.417 ' HG2' ' C ' ' A' ' 115' ' ' GLU . 1.0 OUTLIER -139.13 81.96 20.3 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.264 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.488 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.2 Cg_endo -74.95 -1.05 10.7 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.478 1.778 . . . . 0.0 110.972 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -105.72 -12.08 16.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -61.57 129.93 43.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 73.8 p -56.92 -53.72 54.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.405 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' HIS . . . . . 0.407 ' O ' ' OG ' ' A' ' 125' ' ' SER . 6.8 m80 -54.46 -60.18 3.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.576 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.667 ' HB3' HG12 ' A' ' 113' ' ' VAL . 7.6 m-30 -53.65 -24.9 15.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.941 ' O ' HD22 ' A' ' 123' ' ' LEU . 0.0 OUTLIER -75.04 -50.14 17.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.658 ' N ' HD13 ' A' ' 123' ' ' LEU . 7.6 tptt -60.82 -45.65 93.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' SER . . . . . 0.407 ' OG ' ' O ' ' A' ' 121' ' ' HIS . 0.0 OUTLIER -55.64 -40.26 71.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.027 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.54 ' O ' HG23 ' A' ' 129' ' ' THR . 48.3 tp -73.28 -56.99 4.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -51.07 -30.55 16.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.342 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.85 -27.32 29.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.612 ' HA ' ' HB2' ' A' ' 132' ' ' ALA . 71.3 p -67.93 -23.42 65.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.428 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -46.79 -56.99 5.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 11.0 mtmm -111.56 47.27 1.04 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.867 ' HB3' ' HD3' ' A' ' 133' ' ' PRO . . . -62.98 -55.21 39.72 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 133' ' ' PRO . . . . . 0.867 ' HD3' ' HB3' ' A' ' 132' ' ' ALA . 18.3 Cg_endo -75.03 -22.04 15.18 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.504 1.792 . . . . 0.0 111.05 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 134' ' ' GLN . . . . . 0.457 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 69.1 tp60 -80.33 -50.93 9.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 110.269 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.718 ' O ' ' HB2' ' A' ' 139' ' ' ALA . 45.6 mt -49.03 -40.97 33.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 136' ' ' HIS . . . . . 0.473 ' CD2' ' HB1' ' A' ' 98' ' ' ALA . 45.8 t-80 -68.61 -44.72 73.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 109.636 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.501 ' O ' ' CB ' ' A' ' 141' ' ' LYS . . . -61.81 -51.82 66.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.468 ' CG ' ' HA ' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -69.19 -27.09 65.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.271 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.718 ' HB2' ' O ' ' A' ' 135' ' ' LEU . . . -63.68 -49.04 74.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 140' ' ' TYR . . . . . 0.59 ' CE2' ' HA ' ' A' ' 93' ' ' PRO . 5.6 m-85 -86.0 -39.2 17.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 141' ' ' LYS . . . . . 0.501 ' CB ' ' O ' ' A' ' 137' ' ' ALA . 0.1 OUTLIER -63.64 -47.94 79.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.263 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 142' ' ' GLN . . . . . 0.448 ' CB ' ' O ' ' A' ' 138' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.297 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.283 -0.265 . . . . 0.0 110.283 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 1.092 HG23 ' CD2' ' A' ' 44' ' ' LEU . 54.6 mt -59.53 -34.6 55.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.525 HD23 ' N ' ' A' ' 11' ' ' LEU . 3.9 mt -63.77 -39.93 95.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.815 HD12 HD12 ' A' ' 16' ' ' ILE . 0.2 OUTLIER -58.35 -48.66 79.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.685 ' O ' HG21 ' A' ' 40' ' ' VAL . 20.3 m-85 -63.83 -27.36 69.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.984 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -67.17 -57.9 5.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.331 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.461 ' CG ' ' O ' ' A' ' 12' ' ' LEU . 6.6 pt20 -50.96 -35.27 32.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.323 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.815 HD12 HD12 ' A' ' 12' ' ' LEU . 18.7 mt -71.22 -52.58 25.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.6 ttt180 -55.36 -32.44 62.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 110.286 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.402 ' O ' ' HB3' ' A' ' 22' ' ' ASN . 13.7 tp60 -69.17 -53.16 21.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.297 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.497 ' O ' ' CB ' ' A' ' 23' ' ' THR . 0.2 OUTLIER -69.44 -29.77 67.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.56 ' HB1' ' HB2' ' A' ' 37' ' ' TRP . . . -73.61 -45.81 50.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.579 ' HG3' ' CZ2' ' A' ' 37' ' ' TRP . 18.0 tt0 -66.64 -45.88 77.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.326 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.486 ' OD1' ' O ' ' A' ' 19' ' ' ASP . 0.2 OUTLIER -66.3 -39.76 89.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.907 HG21 ' CG ' ' A' ' 33' ' ' ASN . 1.3 m -56.05 -23.29 32.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.393 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -55.95 -60.81 2.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.985 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.426 ' CD ' ' O ' ' A' ' 22' ' ' ASN . 0.0 OUTLIER -56.76 -26.49 57.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.332 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.53 -35.65 73.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.037 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.468 ' O ' ' CG ' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -169.4 96.2 0.51 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -0.16 9.61 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.489 1.784 . . . . 0.0 110.999 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.687 ' O ' HG21 ' A' ' 70' ' ' ILE . 11.8 mt -101.98 13.51 34.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.537 ' OD2' HG22 ' A' ' 23' ' ' THR . 46.6 p30 -90.86 98.29 11.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.713 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . . . -71.83 -27.04 62.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.327 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -71.42 -52.16 20.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.907 ' CG ' HG21 ' A' ' 23' ' ' THR . 0.4 OUTLIER -71.11 -37.56 72.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 1.021 ' HG ' ' HB2' ' A' ' 67' ' ' ALA . 3.4 tp -61.3 -49.34 77.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.472 HG22 ' OE2' ' A' ' 76' ' ' GLU . 2.0 m -62.91 -36.58 83.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.387 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.51 -44.51 67.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 110.308 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.579 ' CZ2' ' HG3' ' A' ' 21' ' ' GLU . 12.8 t90 -52.29 -28.07 17.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 108.003 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.552 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -85.74 -50.36 3.99 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.512 1.132 . . . . 0.0 111.025 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -42.68 -44.59 5.46 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.685 HG21 ' O ' ' A' ' 13' ' ' PHE . 4.6 p -67.34 -47.66 80.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.771 . . . . 0.0 109.315 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.473 ' CD1' ' OE2' ' A' ' 59' ' ' GLU . 15.2 mt -49.53 -43.67 45.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.0 mt -61.72 -37.21 83.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.457 ' CD ' ' CZ ' ' A' ' 13' ' ' PHE . 5.1 mm-40 -65.73 -57.06 8.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 110.306 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 1.092 ' CD2' HG23 ' A' ' 10' ' ' ILE . 48.1 mt -62.07 -31.31 71.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 31.3 m -53.76 -18.86 3.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 110.035 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.649 ' HB2' ' CE1' ' A' ' 47' ' ' PHE . 42.4 mt-30 -67.8 -5.56 16.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.303 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.649 ' CE1' ' HB2' ' A' ' 46' ' ' GLN . 1.9 m-85 -157.47 -137.51 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.464 ' O ' ' CB ' ' A' ' 49' ' ' SER . 2.9 m-70 58.54 16.0 3.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.601 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' A' ' 48' ' ' HIS . 3.6 t 83.81 134.59 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.997 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.902 ' CG1' HD22 ' A' ' 91' ' ' LEU . 0.2 OUTLIER -54.74 -39.94 49.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 37.6 t -52.57 -57.55 9.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.073 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.401 ' HB2' ' O ' ' A' ' 48' ' ' HIS . 0.2 OUTLIER -73.4 -42.68 61.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.52 ' HB3' ' HA ' ' A' ' 50' ' ' ILE . . . -46.17 -52.43 12.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.52 ' CD ' HG23 ' A' ' 50' ' ' ILE . 37.3 mtpt -53.87 -56.71 15.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 27.2 mm100 -51.07 -42.05 60.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.278 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.4 mtm -62.18 -34.48 76.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 110.99 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.941 HG21 ' HB2' ' A' ' 88' ' ' PHE . 43.9 mt -72.73 -47.49 49.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 109.338 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -48.4 -54.05 15.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.473 ' OE2' ' CD1' ' A' ' 41' ' ' LEU . 5.4 pt-20 -65.64 -34.34 77.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 0.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.432 ' O ' ' CD2' ' A' ' 64' ' ' PHE . . . -59.56 -34.16 72.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -74.62 -57.68 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.403 ' OG1' ' HA ' ' A' ' 59' ' ' GLU . 50.1 p -50.89 -29.81 12.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 110.393 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.578 ' HE3' ' CH2' ' A' ' 37' ' ' TRP . 0.3 OUTLIER -68.83 -47.5 65.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.595 ' CZ ' ' HB3' ' A' ' 80' ' ' CYS . 23.2 m-85 -59.98 -40.09 87.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.443 1.089 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -49.76 -55.09 15.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.274 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.509 ' HB3' HD21 ' A' ' 34' ' ' LEU . 6.9 tp10 -63.5 -36.06 82.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 110.312 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 1.021 ' HB2' ' HG ' ' A' ' 34' ' ' LEU . . . -63.06 -39.86 95.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.642 HD21 HG23 ' A' ' 78' ' ' VAL . 10.5 mt -63.54 -30.54 71.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' A' ' 66' ' ' GLU . 0.5 OUTLIER -67.07 -35.15 79.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.713 ' HB ' ' HB2' ' A' ' 31' ' ' ALA . 4.5 mt -74.95 -42.72 46.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -144.43 105.11 4.67 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.245 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -19.06 18.19 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.493 1.786 . . . . 0.0 110.961 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -82.63 1.87 36.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.8 tptp -74.07 76.66 1.73 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.477 ' HB3' ' CG ' ' A' ' 115' ' ' GLU . 0.5 OUTLIER -51.95 -26.57 10.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.475 ' HG2' ' CE3' ' A' ' 79' ' ' TRP . 2.2 tt0 -63.77 -53.66 47.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.89 -32.57 45.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.235 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.883 HG11 ' HG2' ' A' ' 111' ' ' GLN . 55.7 t -74.52 -52.9 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.475 ' CE3' ' HG2' ' A' ' 76' ' ' GLU . 0.4 OUTLIER -59.08 -50.39 74.23 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.595 ' HB3' ' CZ ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -50.42 -52.71 35.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 108.305 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.901 HG21 ' CZ ' ' A' ' 108' ' ' PHE . 44.7 mt -51.8 -33.14 15.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -76.95 -45.14 12.38 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.502 1.127 . . . . 0.0 111.021 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -64.57 -31.35 72.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 0.741 . . . . 0.0 109.301 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.421 ' HB1' HG23 ' A' ' 57' ' ' ILE . . . -68.14 -55.5 12.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.55 ' CE2' HD13 ' A' ' 104' ' ' LEU . 6.3 m-85 -56.46 -40.08 74.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 111.014 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 88.2 m -58.9 -50.88 72.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.452 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 48.2 m -62.41 -51.56 67.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.976 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.941 ' HB2' HG21 ' A' ' 57' ' ' ILE . 40.0 t80 -53.3 -33.81 54.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 111.037 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.94 -50.97 66.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.401 ' O ' ' CE1' ' A' ' 140' ' ' TYR . 39.5 m-85 -55.22 -18.08 5.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 111.049 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.902 HD22 ' CG1' ' A' ' 50' ' ' ILE . 43.3 mt -95.18 -20.57 19.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -95.29 117.82 66.57 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.131 . . . . 0.0 110.407 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.417 ' HA ' ' CE2' ' A' ' 140' ' ' TYR . 18.4 Cg_endo -74.98 -25.09 12.23 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.47 1.774 . . . . 0.0 111.012 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.45 88.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 93' ' ' PRO . 44.8 mt-10 -40.12 -47.69 2.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.264 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.3 m -52.9 -57.71 9.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.409 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -65.19 -38.1 89.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 110.253 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.23 -53.49 56.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.34 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.87 -51.8 68.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -48.84 -39.8 26.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 109.545 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -66.98 -54.97 16.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.709 ' HB3' ' HB1' ' A' ' 132' ' ' ALA . 34.1 m-85 -50.96 -40.53 57.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -73.85 -20.0 60.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.55 HD13 ' CE2' ' A' ' 85' ' ' TYR . 0.0 OUTLIER -78.52 -49.23 13.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.573 ' HB1' ' CZ ' ' A' ' 109' ' ' PHE . . . -58.56 -24.3 60.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.8 m -60.78 -55.42 33.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.43 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.45 ' HG3' ' N ' ' A' ' 108' ' ' PHE . 0.0 OUTLIER -53.5 -26.27 20.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.283 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.901 ' CZ ' HG21 ' A' ' 81' ' ' ILE . 33.3 m-85 -84.07 -47.76 10.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 110.961 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.897 ' HB3' HD22 ' A' ' 126' ' ' LEU . 19.6 m-85 -55.93 -51.33 68.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.975 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.5 ' HA ' HD21 ' A' ' 126' ' ' LEU . 0.0 OUTLIER -65.32 -25.95 67.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.127 . . . . 0.0 110.269 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.883 ' HG2' HG11 ' A' ' 78' ' ' VAL . 10.5 tt0 -81.79 -37.68 26.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.328 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.59 -54.4 28.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.968 HG12 ' HB3' ' A' ' 122' ' ' TYR . 6.4 m -55.91 -36.53 44.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -44.72 -34.98 2.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.477 ' CG ' ' HB3' ' A' ' 75' ' ' ASP . 31.9 mm-40 -75.04 -40.67 60.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.082 . . . . 0.0 110.339 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.483 ' O ' ' CG ' ' A' ' 116' ' ' GLN . 1.8 tt0 -157.05 86.72 2.78 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.254 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -0.89 10.54 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.526 1.803 . . . . 0.0 111.005 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.62 -0.75 55.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -87.07 118.7 26.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 45.0 p -54.63 -52.7 61.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.364 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 7.0 m80 -50.94 -47.41 61.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 109.591 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.968 ' HB3' HG12 ' A' ' 113' ' ' VAL . 7.2 m-30 -62.77 -24.59 67.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.975 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.885 ' O ' HD22 ' A' ' 123' ' ' LEU . 0.0 OUTLIER -76.97 -51.71 10.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.797 ' N ' HD13 ' A' ' 123' ' ' LEU . 1.5 tptp -54.16 -41.66 68.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' SER . . . . . 0.51 ' O ' HG23 ' A' ' 129' ' ' THR . 1.2 m -55.82 -40.18 72.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.999 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.897 HD22 ' HB3' ' A' ' 109' ' ' PHE . 0.2 OUTLIER -68.65 -43.09 76.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.26 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 130' ' ' ALA . 1.5 tp10 -68.09 -41.72 81.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 110.249 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.4 -31.95 4.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 111.037 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.563 ' HA ' ' HB2' ' A' ' 132' ' ' ALA . 10.2 p -68.58 -30.76 69.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.409 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 127' ' ' GLU . . . -40.72 -43.24 1.93 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.491 ' O ' HD12 ' A' ' 135' ' ' LEU . 0.0 OUTLIER -122.16 47.56 1.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.781 ' HB3' ' HD3' ' A' ' 133' ' ' PRO . . . -64.29 -51.75 59.1 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 133' ' ' PRO . . . . . 0.781 ' HD3' ' HB3' ' A' ' 132' ' ' ALA . 18.3 Cg_endo -74.99 -24.14 13.12 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.494 1.786 . . . . 0.0 110.978 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 134' ' ' GLN . . . . . 0.48 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 30.7 mm-40 -80.37 -50.12 10.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 0.0 110.248 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.66 ' O ' ' HB2' ' A' ' 139' ' ' ALA . 11.8 mt -48.31 -44.16 33.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 136' ' ' HIS . . . . . 0.424 ' HB2' ' CE2' ' A' ' 102' ' ' PHE . 16.0 t-80 -66.8 -44.19 81.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.586 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.427 ' O ' ' HB2' ' A' ' 141' ' ' LYS . . . -61.88 -53.03 61.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.329 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.48 ' CG ' ' O ' ' A' ' 134' ' ' GLN . 0.1 OUTLIER -68.16 -28.43 67.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 110.289 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.66 ' HB2' ' O ' ' A' ' 135' ' ' LEU . . . -66.85 -41.04 88.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 140' ' ' TYR . . . . . 0.417 ' CE2' ' HA ' ' A' ' 93' ' ' PRO . 4.0 m-85 -87.71 -31.09 19.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 141' ' ' LYS . . . . . 0.427 ' HB2' ' O ' ' A' ' 137' ' ' ALA . 0.0 OUTLIER -70.88 -48.56 53.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.336 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 179.961 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.638 HG23 ' CD2' ' A' ' 44' ' ' LEU . 10.7 mt -60.15 -45.41 95.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.418 1.074 . . . . 0.0 109.275 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.3 mt -57.86 -37.04 73.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.505 ' CD1' HD11 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -60.16 -52.29 65.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.351 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.685 ' HD1' HG23 ' A' ' 40' ' ' VAL . 20.2 m-85 -63.95 -28.13 69.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.972 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -65.71 -59.85 3.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.508 ' HG3' ' N ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -50.8 -30.78 15.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 110.291 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.508 ' N ' ' HG3' ' A' ' 15' ' ' GLN . 23.9 mt -71.49 -52.99 22.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.462 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 10.4 ttt180 -55.41 -54.11 47.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.316 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -50.59 -55.03 18.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.108 . . . . 0.0 110.313 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.598 ' HA ' ' OD1' ' A' ' 22' ' ' ASN . 0.2 OUTLIER -57.45 -43.15 83.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.651 ' HB1' ' CG ' ' A' ' 37' ' ' TRP . . . -50.6 -43.19 56.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.645 ' HG2' ' CZ2' ' A' ' 37' ' ' TRP . 2.0 mt-10 -66.74 -39.43 87.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.321 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.598 ' OD1' ' HA ' ' A' ' 19' ' ' ASP . 0.1 OUTLIER -73.99 -36.38 64.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.489 HG23 ' OD2' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -63.62 -23.61 67.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.158 . . . . 0.0 110.402 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.41 ' CD1' ' HZ3' ' A' ' 37' ' ' TRP . 0.1 OUTLIER -54.81 -60.57 3.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 110.993 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.03 -24.38 67.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.39 -32.46 60.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.982 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.506 ' O ' ' CG ' ' A' ' 30' ' ' ASP . 0.6 OUTLIER -168.97 82.13 0.69 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 24.16 0.39 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.467 1.772 . . . . 0.0 110.937 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.792 ' O ' HG21 ' A' ' 70' ' ' ILE . 12.4 mt -132.72 13.11 4.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.506 ' CG ' ' O ' ' A' ' 27' ' ' ASN . 5.6 p30 -90.79 99.78 12.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.107 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.753 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . . . -71.79 -23.93 61.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -69.95 -54.86 11.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -71.17 -35.12 71.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.958 ' HG ' ' HB2' ' A' ' 67' ' ' ALA . 0.6 OUTLIER -63.95 -52.57 59.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.1 m -58.2 -36.37 73.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.575 1.172 . . . . 0.0 110.357 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.36 -32.77 70.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.44 1.087 . . . . 0.0 110.3 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.651 ' CG ' ' HB1' ' A' ' 20' ' ' ALA . 6.6 t90 -57.63 -27.05 62.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 107.996 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.583 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -84.26 -57.42 2.36 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.533 1.146 . . . . 0.0 111.032 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -42.55 -44.23 5.21 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.685 HG23 ' HD1' ' A' ' 13' ' ' PHE . 9.5 p -67.35 -43.4 87.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.544 0.791 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.553 HD13 ' CG ' ' A' ' 59' ' ' GLU . 17.1 mt -55.8 -49.45 73.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.118 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.4 mt -54.89 -39.88 69.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -62.37 -58.04 9.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.282 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.638 ' CD2' HG23 ' A' ' 10' ' ' ILE . 25.9 mt -61.99 -25.07 67.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.98 -42.97 73.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 110.005 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.421 ' HG2' ' N ' ' A' ' 47' ' ' PHE . 3.0 pt20 -67.81 -36.66 80.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.299 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.58 ' CD2' HG12 ' A' ' 10' ' ' ILE . 22.8 m-85 -75.72 -28.66 58.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 111.043 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 46.9 m80 -90.18 142.47 27.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.594 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 53' ' ' ALA . 83.0 p -49.52 160.16 0.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.978 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.892 ' CG1' HD22 ' A' ' 91' ' ' LEU . 1.0 OUTLIER -51.5 -51.92 22.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.454 ' N ' HG22 ' A' ' 50' ' ' ILE . 21.7 t -44.59 -56.5 4.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 110.013 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.09 -28.9 64.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.554 ' HB3' ' HA ' ' A' ' 50' ' ' ILE . . . -58.56 -54.42 47.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.417 ' CD ' HG23 ' A' ' 50' ' ' ILE . 0.4 OUTLIER -51.49 -57.92 7.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -53.96 -43.2 69.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.303 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.465 ' HB3' ' HE3' ' A' ' 56' ' ' MET . 2.4 mmm -63.8 -36.94 85.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.984 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.832 HG21 ' HB2' ' A' ' 88' ' ' PHE . 9.6 mt -72.83 -50.69 31.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -45.98 -54.96 7.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.314 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.553 ' CG ' HD13 ' A' ' 41' ' ' LEU . 3.9 pt-20 -63.6 -35.07 79.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.158 . . . . 0.0 110.337 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 57' ' ' ILE . . . -59.77 -32.51 70.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -73.43 -54.12 16.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 59' ' ' GLU . 20.4 p -49.97 -31.41 12.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.39 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.496 ' CA ' HD11 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -66.27 -54.25 27.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 109.345 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.583 ' CE1' ' HA3' ' A' ' 38' ' ' GLY . 21.3 m-85 -56.45 -39.81 73.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.536 1.148 . . . . 0.0 110.958 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -50.14 -56.01 12.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.6 ' HB3' HD21 ' A' ' 34' ' ' LEU . 2.5 tt0 -65.83 -37.78 87.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.279 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.958 ' HB2' ' HG ' ' A' ' 34' ' ' LEU . . . -60.95 -38.19 84.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.646 HD21 HG23 ' A' ' 78' ' ' VAL . 7.1 mt -65.51 -32.62 74.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.44 HD12 ' HA ' ' A' ' 66' ' ' GLU . 0.5 OUTLIER -65.37 -33.52 76.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.792 HG21 ' O ' ' A' ' 29' ' ' LEU . 4.6 mt -76.32 -38.69 33.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -147.31 105.56 3.81 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -18.12 18.98 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.477 1.778 . . . . 0.0 110.998 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.6 ptmt -82.88 1.75 37.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.52 76.69 0.57 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.273 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.09 -29.38 30.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.476 ' HG3' ' CE3' ' A' ' 79' ' ' TRP . 1.5 tp10 -67.14 -51.2 56.89 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 110.324 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -53.37 -32.23 48.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 1.004 HG11 ' HB2' ' A' ' 111' ' ' GLN . 40.7 t -74.52 -53.52 16.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.495 ' CZ3' ' SG ' ' A' ' 80' ' ' CYS . 0.4 OUTLIER -58.57 -47.56 83.85 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.573 ' HB3' ' CZ ' ' A' ' 64' ' ' PHE . 0.5 OUTLIER -50.77 -53.1 34.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 108.314 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.544 HG21 ' CZ ' ' A' ' 108' ' ' PHE . 56.8 mt -51.94 -37.45 21.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -71.31 -44.36 52.46 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.522 1.139 . . . . 0.0 110.994 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -64.56 -31.16 72.26 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.518 0.775 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.447 ' HB1' HG23 ' A' ' 57' ' ' ILE . . . -69.88 -55.5 9.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.532 ' CE2' ' CG2' ' A' ' 81' ' ' ILE . 8.7 m-85 -57.06 -44.72 83.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 26.7 m -54.97 -52.43 63.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 0.0 110.43 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.5 m -61.45 -51.52 68.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 109.975 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.832 ' HB2' HG21 ' A' ' 57' ' ' ILE . 43.2 t80 -53.33 -34.15 56.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.974 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.607 ' HB1' ' CD2' ' A' ' 102' ' ' PHE . . . -63.87 -49.32 73.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.331 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -55.76 -20.07 13.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 111.022 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.892 HD22 ' CG1' ' A' ' 50' ' ' ILE . 23.0 mt -94.29 -16.96 23.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.462 HG22 ' HB2' ' A' ' 98' ' ' ALA . 0.9 OUTLIER -97.22 118.08 64.97 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.444 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.515 ' HA ' ' CE2' ' A' ' 140' ' ' TYR . 18.3 Cg_endo -74.93 -22.6 14.79 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.485 1.781 . . . . 0.0 110.987 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.81 105.96 1.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -54.96 -46.75 75.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 110.301 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.4 m -52.77 -57.99 8.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.381 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -65.25 -50.36 66.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 110.321 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.462 ' HB2' HG22 ' A' ' 92' ' ' THR . . . -52.61 -54.2 36.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.331 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 29.8 tttt -60.43 -49.26 78.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -51.99 -47.62 64.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 109.617 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.85 -47.47 65.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.956 ' CD1' ' HB1' ' A' ' 132' ' ' ALA . 1.4 m-85 -55.53 -42.31 74.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.42 -19.48 60.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.559 HD22 ' CE2' ' A' ' 108' ' ' PHE . 0.1 OUTLIER -72.21 -48.39 43.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.344 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -56.91 -31.39 64.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.337 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.2 m -60.43 -56.11 25.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 110.372 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.519 ' HG2' HD23 ' A' ' 104' ' ' LEU . 0.0 OUTLIER -56.75 -23.14 40.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.755 ' HD1' HG13 ' A' ' 78' ' ' VAL . 6.0 m-85 -82.51 -48.56 10.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.776 ' O ' HG13 ' A' ' 113' ' ' VAL . 16.1 m-85 -54.98 -19.85 7.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.955 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -74.26 -26.76 60.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 110.275 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 1.004 ' HB2' HG11 ' A' ' 78' ' ' VAL . 37.8 mt-30 -81.52 -43.76 18.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.282 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.61 -47.71 84.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.318 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.801 HG12 ' HB3' ' A' ' 122' ' ' TYR . 5.6 m -67.88 -38.65 80.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.21 -48.43 12.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -63.99 -40.37 96.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.315 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -161.8 90.39 1.45 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.27 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.457 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.3 Cg_endo -74.97 -4.17 15.01 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.464 1.771 . . . . 0.0 111.022 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -86.76 -4.36 59.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -79.96 108.07 13.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.465 ' HA ' HD12 ' A' ' 123' ' ' LEU . 1.9 t -52.96 -27.32 18.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 110.399 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -61.11 -45.53 94.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.624 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.801 ' HB3' HG12 ' A' ' 113' ' ' VAL . 14.8 m-30 -79.12 -36.65 40.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.912 ' O ' HD22 ' A' ' 123' ' ' LEU . 0.0 OUTLIER -59.22 -44.59 92.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.898 ' N ' HD13 ' A' ' 123' ' ' LEU . 2.8 tptt -67.68 -47.42 69.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' SER . . . . . 0.434 ' HB3' ' CE1' ' A' ' 109' ' ' PHE . 0.5 OUTLIER -57.79 -49.37 76.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.999 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.659 HD13 ' HB3' ' A' ' 109' ' ' PHE . 28.5 tp -68.91 -38.13 79.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.443 ' CB ' ' O ' ' A' ' 123' ' ' LEU . 1.0 OUTLIER -66.67 -36.35 82.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 110.312 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 7.2 mmm -71.07 -41.98 70.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 111.008 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.564 ' O ' ' HB2' ' A' ' 132' ' ' ALA . 0.5 OUTLIER -59.32 -22.62 61.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 110.37 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -41.85 -59.85 1.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.586 ' O ' HD12 ' A' ' 135' ' ' LEU . 12.2 mttt -90.53 45.27 1.25 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.956 ' HB1' ' CD1' ' A' ' 102' ' ' PHE . . . -63.63 -44.47 80.79 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.336 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 133' ' ' PRO . . . . . 0.641 ' CD ' ' N ' ' A' ' 132' ' ' ALA . 18.4 Cg_endo -74.99 -29.93 7.71 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.485 1.782 . . . . 0.0 111.026 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 134' ' ' GLN . . . . . 0.465 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 11.7 mm100 -80.66 -47.0 14.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 110.275 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.685 ' O ' ' HB2' ' A' ' 139' ' ' ALA . 6.9 mt -51.04 -42.84 60.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 136' ' ' HIS . . . . . 0.565 ' HB2' ' CE2' ' A' ' 102' ' ' PHE . 56.8 t-80 -66.21 -44.35 84.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.603 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.537 ' O ' ' CB ' ' A' ' 141' ' ' LYS . . . -61.96 -52.69 62.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.5 ' O ' ' CB ' ' A' ' 142' ' ' GLN . 0.0 OUTLIER -69.24 -26.73 64.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.293 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.685 ' HB2' ' O ' ' A' ' 135' ' ' LEU . . . -66.9 -49.66 64.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.243 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 140' ' ' TYR . . . . . 0.515 ' CE2' ' HA ' ' A' ' 93' ' ' PRO . 5.5 m-85 -83.34 -43.09 16.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 141' ' ' LYS . . . . . 0.537 ' CB ' ' O ' ' A' ' 137' ' ' ALA . 0.0 OUTLIER -61.1 -48.08 83.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.33 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 142' ' ' GLN . . . . . 0.5 ' CB ' ' O ' ' A' ' 138' ' ' GLU . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.27 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.457 ' CG ' ' CE2' ' A' ' 13' ' ' PHE . 10.1 ttm180 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.795 HG23 ' CD2' ' A' ' 44' ' ' LEU . 42.8 mt -68.19 -45.17 83.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.42 1.075 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.442 HD23 ' N ' ' A' ' 11' ' ' LEU . 6.6 mt -54.9 -38.94 68.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.68 HD12 HD12 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -64.06 -48.71 75.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.779 ' CD1' HG23 ' A' ' 40' ' ' VAL . 12.5 m-85 -63.77 -28.33 69.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -66.53 -59.54 3.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 110.304 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.486 ' HG3' ' N ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -51.84 -28.47 15.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.26 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.68 HD12 HD12 ' A' ' 12' ' ' LEU . 5.3 mt -71.9 -53.3 20.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.413 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -49.44 -58.93 4.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 110.329 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.424 ' HG3' ' O ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -53.77 -42.31 68.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 110.274 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 23' ' ' THR . 0.2 OUTLIER -63.11 -34.14 76.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.112 . . . . 0.0 109.319 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.596 ' HB1' ' CG ' ' A' ' 37' ' ' TRP . . . -66.34 -47.97 71.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.668 ' HG2' ' CZ2' ' A' ' 37' ' ' TRP . 2.8 mt-10 -58.91 -42.65 90.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.445 ' HA ' ' CE ' ' A' ' 25' ' ' LYS . 10.2 t-20 -75.44 -36.14 60.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.334 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.607 HG21 ' CG ' ' A' ' 33' ' ' ASN . 2.7 m -62.18 -25.56 67.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.451 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.464 ' O ' ' CD ' ' A' ' 28' ' ' PRO . 0.1 OUTLIER -54.5 -60.85 2.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 110.979 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.445 ' CE ' ' HA ' ' A' ' 22' ' ' ASN . 0.0 OUTLIER -63.48 -28.99 70.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.61 -38.22 73.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 110.009 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' A' ' 23' ' ' THR . 1.5 t30 -169.52 84.35 0.62 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.464 ' CD ' ' O ' ' A' ' 24' ' ' TYR . 18.4 Cg_endo -74.97 -0.72 10.3 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.494 1.787 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.797 ' O ' HG21 ' A' ' 70' ' ' ILE . 8.3 mt -91.92 -21.99 20.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.41 ' O ' ' HB2' ' A' ' 34' ' ' LEU . 0.9 OUTLIER -66.99 97.96 0.53 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.11 . . . . 0.0 109.324 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.822 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . . . -71.95 -21.93 61.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -65.6 -52.49 51.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.607 ' CG ' HG21 ' A' ' 23' ' ' THR . 0.5 OUTLIER -69.42 -34.61 74.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.266 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.684 HD22 ' O ' ' A' ' 63' ' ' LYS . 0.5 OUTLIER -66.69 -35.68 80.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 0.0 109.303 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.6 m -72.78 -39.03 67.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 110.396 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.2 ptt180 -70.46 -20.14 62.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.098 . . . . 0.0 110.324 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.668 ' CZ2' ' HG2' ' A' ' 21' ' ' GLU . 6.2 t90 -67.42 -27.08 66.76 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.612 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -86.26 -60.7 1.71 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -39.58 -41.75 1.78 Allowed Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.779 HG23 ' CD1' ' A' ' 13' ' ' PHE . 5.7 p -67.4 -50.71 59.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.51 0.771 . . . . 0.0 109.253 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.476 ' N ' HG13 ' A' ' 40' ' ' VAL . 45.0 mt -52.15 -42.29 63.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 24.0 mt -65.49 -35.15 80.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -65.68 -57.48 7.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.795 ' CD2' HG23 ' A' ' 10' ' ' ILE . 21.5 mt -52.66 -29.71 27.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.32 -16.94 6.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 109.974 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -68.23 -7.04 27.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 110.263 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.642 ' O ' ' CG ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -157.83 21.09 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 110.985 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.587 ' O ' ' O ' ' A' ' 49' ' ' SER . 0.4 OUTLIER -108.69 46.24 0.98 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.59 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.777 ' O ' ' HB2' ' A' ' 53' ' ' ALA . 66.9 m 41.12 -173.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.994 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.838 HG13 HD22 ' A' ' 91' ' ' LEU . 0.2 OUTLIER -83.06 -52.82 12.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.472 ' N ' HG22 ' A' ' 50' ' ' ILE . 91.7 p -51.28 -57.23 9.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.97 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.452 ' O ' ' CG ' ' A' ' 56' ' ' MET . 0.2 OUTLIER -62.16 -32.08 72.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.777 ' HB2' ' O ' ' A' ' 49' ' ' SER . . . -66.53 -46.16 77.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.462 ' CD ' HG23 ' A' ' 50' ' ' ILE . 38.9 mtpt -62.49 -59.15 5.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.512 ' HG3' ' N ' ' A' ' 56' ' ' MET . 0.0 OUTLIER -53.56 -36.18 61.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.276 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.544 ' SD ' ' CG ' ' A' ' 48' ' ' HIS . 64.6 mtp -71.08 -37.05 72.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.792 HG21 ' HB2' ' A' ' 88' ' ' PHE . 8.8 mt -71.42 -51.83 30.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.548 ' O ' HG23 ' A' ' 62' ' ' THR . 3.4 mt-30 -45.19 -54.41 6.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.449 ' OE2' ' CD1' ' A' ' 41' ' ' LEU . 4.8 pt-20 -66.48 -36.39 82.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.425 ' N ' ' HG2' ' A' ' 59' ' ' GLU . . . -58.67 -27.96 65.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.668 HD13 ' CE1' ' A' ' 85' ' ' TYR . 1.4 mt -80.1 -52.3 14.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.296 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.548 HG23 ' O ' ' A' ' 58' ' ' GLN . 68.0 p -50.11 -31.65 13.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.097 . . . . 0.0 110.401 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.684 ' O ' HD22 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -72.29 -45.37 60.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.612 ' CE1' ' HA3' ' A' ' 38' ' ' GLY . 19.4 m-30 -56.4 -42.84 78.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.54 1.15 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -52.93 -54.68 31.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.283 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.534 ' HA ' HD12 ' A' ' 69' ' ' LEU . 0.4 OUTLIER -56.47 -37.05 69.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 110.326 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.577 ' HA ' HD12 ' A' ' 70' ' ' ILE . . . -64.79 -44.77 88.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.756 HD21 HG23 ' A' ' 78' ' ' VAL . 16.2 mt -59.33 -33.07 70.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.534 HD12 ' HA ' ' A' ' 66' ' ' GLU . 0.8 OUTLIER -63.54 -40.07 96.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.344 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.822 ' HB ' ' HB2' ' A' ' 31' ' ' ALA . 5.8 mt -66.72 -44.45 89.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -152.82 114.01 2.76 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -4.5 15.49 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.443 1.759 . . . . 0.0 111.004 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 75' ' ' ASP . 20.1 mmtt -82.9 -6.37 59.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -66.11 75.33 0.09 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.3 OUTLIER -55.76 -29.01 58.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 179.922 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.416 ' HG3' ' CE3' ' A' ' 79' ' ' TRP . 34.2 tt0 -68.0 -51.5 46.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.314 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.22 -32.27 35.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.974 HG11 ' HB2' ' A' ' 111' ' ' GLN . 36.7 t -74.59 -52.89 18.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.479 ' CZ3' ' SG ' ' A' ' 80' ' ' CYS . 0.4 OUTLIER -59.11 -50.13 75.23 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.574 ' HB3' ' CZ ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -50.66 -51.2 51.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 108.313 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.569 HG21 ' CZ ' ' A' ' 108' ' ' PHE . 35.7 mt -51.88 -33.75 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -75.94 -46.51 13.49 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.464 1.102 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -62.52 -29.33 70.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 0.772 . . . . 0.0 109.313 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.705 ' HB1' HG23 ' A' ' 57' ' ' ILE . . . -69.92 -55.43 9.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.668 ' CE1' HD13 ' A' ' 61' ' ' ILE . 12.0 m-85 -57.84 -44.28 86.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 74.7 m -54.87 -48.52 72.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.432 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.5 m -66.1 -51.62 56.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 110.006 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.792 ' HB2' HG21 ' A' ' 57' ' ' ILE . 41.6 t80 -54.91 -38.55 67.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 111.008 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.66 ' HB1' ' CD2' ' A' ' 102' ' ' PHE . . . -56.12 -52.6 63.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -54.01 -23.86 14.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.979 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.838 HD22 HG13 ' A' ' 50' ' ' ILE . 22.0 mt -88.5 -20.26 25.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.434 HG22 ' HB2' ' A' ' 98' ' ' ALA . 0.9 OUTLIER -97.18 118.79 64.29 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 110.383 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.558 ' HA ' ' CE2' ' A' ' 140' ' ' TYR . 18.2 Cg_endo -75.08 -26.09 11.13 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.497 1.788 . . . . 0.0 110.968 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -58.83 87.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 93' ' ' PRO . 91.5 mt-10 -40.6 -46.93 2.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.495 HG23 ' N ' ' A' ' 97' ' ' GLU . 13.4 t -52.64 -53.17 50.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.384 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.495 ' N ' HG23 ' A' ' 96' ' ' THR . 4.8 mm-40 -70.65 -49.91 42.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.295 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.434 ' HB2' HG22 ' A' ' 92' ' ' THR . . . -52.93 -54.48 34.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.33 -51.89 67.58 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -49.21 -49.18 44.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.632 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ASN . . . . . 0.426 ' OD1' ' CD1' ' A' ' 85' ' ' TYR . 0.5 OUTLIER -67.03 -46.89 73.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.669 ' HD1' ' HB1' ' A' ' 132' ' ' ALA . 0.9 OUTLIER -55.24 -42.75 73.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.03 -22.01 59.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.595 HD22 ' CE2' ' A' ' 108' ' ' PHE . 0.1 OUTLIER -71.99 -45.13 62.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.143 . . . . 0.0 109.311 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -53.23 -33.95 55.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.499 ' OG1' HG23 ' A' ' 129' ' ' THR . 19.8 m -61.24 -55.63 29.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 110.413 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -50.84 -27.33 7.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 110.254 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.743 ' HD1' HG13 ' A' ' 78' ' ' VAL . 16.4 m-85 -83.27 -48.39 10.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 110.955 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.679 ' O ' HG13 ' A' ' 113' ' ' VAL . 14.6 m-85 -55.2 -22.34 17.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.448 1.093 . . . . 0.0 111.013 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -74.32 -25.79 59.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.28 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.974 ' HB2' HG11 ' A' ' 78' ' ' VAL . 36.0 mt-30 -81.74 -41.52 21.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.331 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -57.69 -48.72 78.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.138 . . . . 0.0 109.3 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.679 HG13 ' O ' ' A' ' 109' ' ' PHE . 4.2 m -66.77 -39.57 83.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.15 -45.91 11.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -69.67 -38.37 77.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.347 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -159.58 89.16 1.97 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 110.297 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.457 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.2 Cg_endo -75.0 -3.52 14.05 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.513 1.796 . . . . 0.0 111.009 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -87.3 -12.07 47.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -65.16 111.08 2.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 72.0 p -57.46 -23.81 51.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.399 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -70.28 -58.61 3.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.564 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.64 ' HB3' HG12 ' A' ' 113' ' ' VAL . 12.4 m-30 -57.91 -34.62 70.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.875 ' O ' HD22 ' A' ' 123' ' ' LEU . 0.0 OUTLIER -59.31 -50.33 74.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.431 1.082 . . . . 0.0 109.299 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.805 ' N ' HD13 ' A' ' 123' ' ' LEU . 13.4 tptt -62.63 -43.14 99.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.99 -48.51 75.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.064 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 32.6 tp -70.79 -44.88 65.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.66 -47.09 70.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 110.331 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 2.2 mmm -67.62 -39.3 84.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 110.972 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.499 HG23 ' OG1' ' A' ' 106' ' ' THR . 0.3 OUTLIER -60.47 -19.63 57.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.403 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -47.08 -49.85 20.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.417 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 2.8 mtmt -101.89 42.93 1.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.731 ' HB3' ' HD3' ' A' ' 133' ' ' PRO . . . -59.64 -50.31 87.59 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 133' ' ' PRO . . . . . 0.731 ' HD3' ' HB3' ' A' ' 132' ' ' ALA . 18.3 Cg_endo -74.99 -24.15 13.12 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.504 1.792 . . . . 0.0 111.027 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 42.3 tp60 -80.18 -47.24 14.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 110.314 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.738 ' O ' ' HB2' ' A' ' 139' ' ' ALA . 16.8 mt -54.38 -37.93 65.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 136' ' ' HIS . . . . . 0.595 ' HB2' ' CE2' ' A' ' 102' ' ' PHE . 56.4 t-80 -67.12 -43.63 81.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.582 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.549 ' O ' ' CB ' ' A' ' 141' ' ' LYS . . . -62.06 -53.32 57.14 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.486 ' CG ' ' HA ' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -69.05 -30.55 68.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.738 ' HB2' ' O ' ' A' ' 135' ' ' LEU . . . -58.44 -50.34 74.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 140' ' ' TYR . . . . . 0.558 ' CE2' ' HA ' ' A' ' 93' ' ' PRO . 6.9 m-85 -86.43 -40.93 14.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.964 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 141' ' ' LYS . . . . . 0.549 ' CB ' ' O ' ' A' ' 137' ' ' ALA . 0.0 OUTLIER -58.07 -48.01 81.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 110.277 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.4 ttm-85 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.34 -0.245 . . . . 0.0 110.34 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.457 HG23 HD22 ' A' ' 44' ' ' LEU . 42.5 mt -65.39 -41.33 90.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.4 mt -57.61 -44.77 85.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.716 ' CD1' HD11 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -57.97 -46.43 85.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.8 ' HD1' HG23 ' A' ' 40' ' ' VAL . 6.4 m-85 -64.0 -37.07 86.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 110.985 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -60.43 -57.26 13.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 1.085 . . . . 0.0 110.268 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.517 ' HG3' ' N ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -53.62 -27.81 29.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.289 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.716 HD11 ' CD1' ' A' ' 12' ' ' LEU . 52.1 mt -71.4 -53.5 20.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.487 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 13.3 ttp180 -52.44 -51.71 57.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.321 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.43 ' NE2' ' OD1' ' A' ' 22' ' ' ASN . 2.6 tp60 -55.06 -54.77 38.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 110.326 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 23' ' ' THR . 0.1 OUTLIER -57.93 -37.18 73.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.73 ' HB1' ' CG ' ' A' ' 37' ' ' TRP . . . -56.5 -43.21 79.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.619 ' HG2' ' CZ2' ' A' ' 37' ' ' TRP . 3.0 mt-10 -66.51 -38.24 86.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.425 1.078 . . . . 0.0 110.292 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.43 ' OD1' ' NE2' ' A' ' 18' ' ' GLN . 1.1 m120 -73.72 -33.54 64.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.455 HG21 ' CG ' ' A' ' 33' ' ' ASN . 2.2 m -63.29 -22.74 67.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.396 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.404 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -64.74 -61.67 2.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 111.007 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.6 -23.99 67.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.74 -40.36 29.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.138 . . . . 0.0 110.007 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 23' ' ' THR . 2.2 m-20 -168.11 89.41 0.67 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 0.35 9.0 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.499 1.789 . . . . 0.0 111.01 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.895 ' O ' HG21 ' A' ' 70' ' ' ILE . 18.8 mt -90.42 -21.45 21.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.41 ' O ' ' HB2' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -64.54 98.34 0.25 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.429 1.081 . . . . 0.0 109.302 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.798 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . . . -74.66 -45.06 47.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.339 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -48.98 -50.46 35.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.568 1.168 . . . . 0.0 109.293 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.455 ' CG ' HG21 ' A' ' 23' ' ' THR . 0.7 OUTLIER -66.28 -46.17 77.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.91 HD22 ' O ' ' A' ' 63' ' ' LYS . 0.2 OUTLIER -52.8 -50.32 63.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.448 ' CG2' ' HG2' ' A' ' 76' ' ' GLU . 72.4 m -57.68 -35.82 71.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 110.38 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.53 ' HD3' HG21 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -70.31 -26.31 63.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.73 ' CG ' ' HB1' ' A' ' 20' ' ' ALA . 5.9 t90 -65.44 -28.16 69.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 108.035 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.626 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -83.28 -60.1 2.06 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -42.02 -44.46 4.7 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.8 HG23 ' HD1' ' A' ' 13' ' ' PHE . 5.1 p -67.43 -38.97 81.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 38' ' ' GLY . 14.8 mt -60.96 -42.64 98.66 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.259 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 17.7 mt -65.59 -36.95 85.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -65.79 -58.34 5.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.253 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.689 HD21 ' HB2' ' A' ' 13' ' ' PHE . 71.8 mt -60.61 -30.23 69.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -53.66 -37.81 63.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.004 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.456 ' HG2' ' N ' ' A' ' 47' ' ' PHE . 3.7 pt20 -68.05 -37.48 81.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.456 ' N ' ' HG2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -78.28 -22.64 47.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 111.027 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.452 ' O ' ' HB3' ' A' ' 49' ' ' SER . 0.4 OUTLIER -78.88 -93.5 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.502 1.126 . . . . 0.0 109.601 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.503 ' O ' ' N ' ' A' ' 53' ' ' ALA . 35.1 p 177.66 153.39 0.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.959 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.742 ' CG1' HD22 ' A' ' 91' ' ' LEU . 0.1 OUTLIER -48.27 -46.84 13.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 109.347 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 47.9 t -47.12 -57.64 4.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 109.982 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.416 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 24.1 m-20 -75.02 -45.07 44.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.552 ' HB3' ' HA ' ' A' ' 50' ' ' ILE . . . -45.25 -36.11 3.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.488 ' CD ' HG23 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -65.47 -58.37 5.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.416 ' HG2' ' O ' ' A' ' 52' ' ' ASP . 6.6 pt20 -62.46 -36.09 81.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.312 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 82.8 mtp -67.6 -32.36 73.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.964 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.904 HG21 ' HB2' ' A' ' 88' ' ' PHE . 22.1 mt -71.84 -46.12 62.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.405 ' O ' HG23 ' A' ' 62' ' ' THR . 6.9 mt-30 -51.24 -51.23 55.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.302 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.431 ' HG2' ' N ' ' A' ' 60' ' ' ALA . 2.4 pt-20 -66.69 -35.22 79.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 110.323 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.431 ' N ' ' HG2' ' A' ' 59' ' ' GLU . . . -59.72 -32.45 70.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.442 HG22 ' N ' ' A' ' 62' ' ' THR . 0.4 OUTLIER -69.87 -57.28 8.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.234 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.442 ' N ' HG22 ' A' ' 61' ' ' ILE . 72.0 p -49.19 -35.57 17.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.396 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.91 ' O ' HD22 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -62.4 -42.55 99.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.626 ' CE1' ' HA3' ' A' ' 38' ' ' GLY . 21.3 m-85 -67.04 -40.43 87.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.974 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -50.71 -55.46 16.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.314 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.57 ' HA ' HD12 ' A' ' 69' ' ' LEU . 4.9 tt0 -57.55 -35.27 70.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.327 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.419 ' HA ' HD12 ' A' ' 70' ' ' ILE . . . -66.2 -46.5 77.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.76 HD21 HG23 ' A' ' 78' ' ' VAL . 10.1 mt -57.34 -28.98 63.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.57 HD12 ' HA ' ' A' ' 66' ' ' GLU . 0.9 OUTLIER -68.61 -45.14 72.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.254 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.895 HG21 ' O ' ' A' ' 29' ' ' LEU . 5.0 mt -65.63 -43.05 94.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 109.25 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -144.11 110.06 5.07 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -19.36 17.92 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.494 1.786 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -82.78 3.35 29.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -67.92 77.41 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.1 -30.54 26.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.448 ' HG2' ' CG2' ' A' ' 35' ' ' THR . 72.9 tt0 -67.18 -52.76 37.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 110.364 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.16 -32.79 37.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.999 HG11 ' HB2' ' A' ' 111' ' ' GLN . 14.7 t -74.6 -53.59 16.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.622 ' CD1' ' ND2' ' A' ' 83' ' ' ASN . 0.3 OUTLIER -58.2 -46.74 85.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 108.03 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 64' ' ' PHE . 0.5 OUTLIER -50.6 -54.17 24.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 108.282 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.599 ' CG2' ' CE2' ' A' ' 85' ' ' TYR . 68.9 mt -51.91 -39.49 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -68.78 -41.11 84.32 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.52 1.137 . . . . 0.0 111.043 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.622 ' ND2' ' CD1' ' A' ' 79' ' ' TRP . 1.6 m-80 -64.46 -37.99 89.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 0.765 . . . . 0.0 109.347 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.627 ' HB1' HG23 ' A' ' 57' ' ' ILE . . . -63.81 -55.29 24.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.599 ' CE2' ' CG2' ' A' ' 81' ' ' ILE . 13.0 m-85 -58.45 -47.03 85.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.957 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.502 HG23 ' CE1' ' A' ' 102' ' ' PHE . 42.5 m -57.99 -46.76 84.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 110.395 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.411 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 2.0 m -66.92 -52.09 47.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.0 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.904 ' HB2' HG21 ' A' ' 57' ' ' ILE . 40.7 t80 -52.27 -35.18 49.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 111.03 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.554 ' HB1' ' HB1' ' A' ' 98' ' ' ALA . . . -58.51 -49.38 77.57 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -58.01 -21.51 45.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 0.0 111.013 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.742 HD22 ' CG1' ' A' ' 50' ' ' ILE . 1.4 mt -95.82 -4.14 44.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.441 HG21 ' HB2' ' A' ' 97' ' ' GLU . 1.2 m -98.32 106.38 35.29 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.382 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.552 ' HA ' ' CE2' ' A' ' 140' ' ' TYR . 18.5 Cg_endo -74.99 -13.15 21.51 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.437 1.756 . . . . 0.0 111.049 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.633 ' O ' ' CB ' ' A' ' 95' ' ' GLU . 0.2 OUTLIER -58.29 -50.08 74.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.095 . . . . 0.0 109.309 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.633 ' CB ' ' O ' ' A' ' 94' ' ' ASP . 3.3 mm-40 97.68 -56.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 110.274 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -57.7 -40.22 79.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 110.414 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.441 ' HB2' HG21 ' A' ' 92' ' ' THR . 7.6 mt-10 -75.89 -35.62 59.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.289 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.554 ' HB1' ' HB1' ' A' ' 89' ' ' ALA . . . -68.39 -52.88 28.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 10.3 tttt -56.0 -51.65 67.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.79 -44.07 66.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.555 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ASN . . . . . 0.412 ' ND2' ' O ' ' A' ' 97' ' ' GLU . 18.9 m-80 -62.12 -52.65 63.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.83 ' HB3' ' HB1' ' A' ' 132' ' ' ALA . 7.8 m-85 -50.99 -44.77 60.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.74 -19.33 62.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.484 HD23 ' HG2' ' A' ' 107' ' ' GLN . 0.1 OUTLIER -78.7 -47.52 16.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.847 ' HB1' ' CZ ' ' A' ' 109' ' ' PHE . . . -58.37 -24.46 59.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 3.1 m -61.15 -55.79 28.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.401 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.484 ' HG2' HD23 ' A' ' 104' ' ' LEU . 0.0 OUTLIER -57.12 -23.31 46.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.279 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.763 ' HD1' HG13 ' A' ' 78' ' ' VAL . 13.5 m-85 -82.6 -47.29 12.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.847 ' CZ ' ' HB1' ' A' ' 105' ' ' ALA . 20.0 m-30 -53.33 -32.06 47.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 111.042 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.94 -30.2 68.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.248 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.999 ' HB2' HG11 ' A' ' 78' ' ' VAL . 56.5 mt-30 -81.55 -42.71 19.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.325 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.542 ' O ' ' CD2' ' A' ' 122' ' ' TYR . . . -61.98 -49.18 77.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.262 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.723 HG12 ' HB3' ' A' ' 122' ' ' TYR . 10.1 m -67.37 -33.55 63.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -44.99 -45.04 10.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.417 ' C ' ' HG2' ' A' ' 116' ' ' GLN . 61.3 mm-40 -75.08 -44.97 44.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.294 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.417 ' HG2' ' C ' ' A' ' 115' ' ' GLU . 1.4 mm-40 -139.16 83.26 18.08 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.258 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.475 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.4 Cg_endo -74.96 -14.56 21.19 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.507 1.793 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -92.59 -12.14 32.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -61.33 120.91 11.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 38.1 p -56.97 -30.44 64.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.376 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 3.0 m80 -70.27 -59.68 2.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.576 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.723 ' HB3' HG12 ' A' ' 113' ' ' VAL . 10.6 m-30 -60.41 -23.33 64.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 111.03 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 1.002 ' O ' HD22 ' A' ' 123' ' ' LEU . 0.0 OUTLIER -73.32 -45.8 53.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.1 . . . . 0.0 109.265 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.651 ' N ' HD13 ' A' ' 123' ' ' LEU . 12.1 tptt -58.5 -44.54 89.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.55 -43.34 89.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.008 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 45.0 tp -71.18 -40.36 71.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.274 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.99 -34.47 76.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.279 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' MET . . . . . 0.424 ' N ' ' O ' ' A' ' 124' ' ' LYS . 0.6 OUTLIER -54.66 -32.41 59.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.763 ' HA ' ' HB2' ' A' ' 132' ' ' ALA . 20.8 p -63.49 -34.04 76.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.359 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 129' ' ' THR . . . -39.75 -46.5 1.91 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.168 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -123.63 46.22 2.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.83 ' HB1' ' HB3' ' A' ' 102' ' ' PHE . . . -64.82 -50.41 63.72 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 133' ' ' PRO . . . . . 0.736 ' HD3' ' HB3' ' A' ' 132' ' ' ALA . 18.3 Cg_endo -74.97 -25.58 11.78 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.475 1.776 . . . . 0.0 110.987 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 134' ' ' GLN . . . . . 0.451 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 8.1 mm-40 -80.52 -51.01 9.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 110.276 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.742 ' O ' ' HB2' ' A' ' 139' ' ' ALA . 37.5 mt -48.43 -42.3 31.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 136' ' ' HIS . . . . . 0.57 ' CE1' ' HA ' ' A' ' 95' ' ' GLU . 58.9 t-80 -67.07 -45.06 78.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.637 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.523 ' O ' ' CB ' ' A' ' 141' ' ' LYS . . . -61.79 -53.13 60.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.467 ' CG ' ' HA ' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -68.45 -27.77 66.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.243 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.742 ' HB2' ' O ' ' A' ' 135' ' ' LEU . . . -59.02 -53.15 61.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 140' ' ' TYR . . . . . 0.552 ' CE2' ' HA ' ' A' ' 93' ' ' PRO . 10.5 m-85 -85.37 -41.39 15.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.977 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 141' ' ' LYS . . . . . 0.523 ' CB ' ' O ' ' A' ' 137' ' ' ALA . 2.6 tmmm? -57.95 -48.07 81.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 142' ' ' GLN . . . . . 0.428 ' CB ' ' O ' ' A' ' 138' ' ' GLU . 2.2 tp60 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.422 1.076 . . . . 0.0 110.331 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.454 ' CG ' ' CE2' ' A' ' 13' ' ' PHE . 8.6 ttm180 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.914 HG23 HD21 ' A' ' 44' ' ' LEU . 1.7 mt -66.49 -42.18 89.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.514 HD23 ' N ' ' A' ' 11' ' ' LEU . 5.0 mt -53.72 -38.83 64.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.578 ' CD1' HD11 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -68.67 -46.04 70.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.592 ' HD1' HG23 ' A' ' 40' ' ' VAL . 7.7 m-85 -63.87 -29.57 70.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -64.02 -53.96 41.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.508 ' HG3' ' N ' ' A' ' 16' ' ' ILE . 0.9 OUTLIER -56.78 -31.28 64.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.578 HD11 ' CD1' ' A' ' 12' ' ' LEU . 41.5 mt -71.66 -45.38 67.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -52.79 -53.87 42.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.268 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.496 ' HG3' ' N ' ' A' ' 19' ' ' ASP . 7.8 pt20 -63.27 -36.94 85.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.326 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.496 ' N ' ' HG3' ' A' ' 18' ' ' GLN . 0.5 OUTLIER -68.46 -41.44 80.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.975 ' HB1' ' HB2' ' A' ' 37' ' ' TRP . . . -73.68 -57.53 3.92 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.127 . . . . 0.0 109.279 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.56 ' HG3' ' CZ2' ' A' ' 37' ' ' TRP . 2.8 tt0 -50.87 -51.63 49.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 110.321 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.428 ' CB ' ' O ' ' A' ' 18' ' ' GLN . 28.6 t30 -61.9 -46.04 91.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.761 HG22 ' OD2' ' A' ' 30' ' ' ASP . 1.8 m -55.01 -28.11 49.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 110.341 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.456 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 10.9 t80 -49.77 -60.72 2.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.411 ' HD3' ' HA ' ' A' ' 22' ' ' ASN . 0.0 OUTLIER -62.32 -26.91 68.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.336 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.44 -31.56 68.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.994 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.469 ' O ' ' CG ' ' A' ' 30' ' ' ASP . 2.7 m-80 -169.66 94.47 0.51 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 109.336 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 1.72 7.45 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.531 1.806 . . . . 0.0 110.969 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.81 ' O ' HG21 ' A' ' 70' ' ' ILE . 11.7 mt -101.88 6.68 41.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.761 ' OD2' HG22 ' A' ' 23' ' ' THR . 50.2 p-10 -87.28 98.01 11.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.826 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . . . -73.23 -31.15 63.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.329 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.43 -55.35 16.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.103 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.562 ' CG ' HG21 ' A' ' 23' ' ' THR . 2.9 m-80 -68.48 -34.15 75.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 1.023 ' HG ' ' HB2' ' A' ' 67' ' ' ALA . 7.4 tp -67.08 -42.93 83.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.578 HG22 ' OE2' ' A' ' 76' ' ' GLU . 41.1 m -68.84 -42.45 77.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 110.43 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.442 ' CZ ' ' CB ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -68.28 -25.11 65.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.975 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . 12.6 t90 -67.19 -27.14 67.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.132 . . . . 0.0 107.993 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.592 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -85.53 -54.51 2.79 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.559 1.162 . . . . 0.0 110.983 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -43.58 -41.62 5.55 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.592 HG23 ' HD1' ' A' ' 13' ' ' PHE . 0.7 OUTLIER -67.38 -48.72 76.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.528 0.781 . . . . 0.0 109.229 -179.936 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.484 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 21.4 mt -48.44 -45.2 36.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 14.1 mt -65.52 -37.1 85.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.559 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 12.4 mm-40 -63.42 -57.52 10.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.914 HD21 HG23 ' A' ' 10' ' ' ILE . 11.3 mt -55.15 -34.56 63.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.7 m -59.6 -12.71 7.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.033 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -68.08 -14.13 62.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.66 ' CE2' HD13 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -158.2 22.15 0.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.97 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.483 ' O ' ' CB ' ' A' ' 49' ' ' SER . 0.1 OUTLIER -96.64 5.22 51.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.65 179.93 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.483 ' CB ' ' O ' ' A' ' 48' ' ' HIS . 0.7 OUTLIER 84.02 128.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.001 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.869 ' CG1' HD22 ' A' ' 91' ' ' LEU . 0.5 OUTLIER -47.3 -48.04 9.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.404 ' N ' HG22 ' A' ' 50' ' ' ILE . 47.9 t -44.8 -56.09 4.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.977 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -71.87 -45.13 62.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.649 ' O ' HD12 ' A' ' 57' ' ' ILE . . . -44.8 -35.03 2.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.334 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.7 mtpt -64.59 -58.06 7.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.365 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -63.37 -35.32 80.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.243 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 89.2 mtp -67.51 -34.27 76.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 111.019 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.916 HG21 ' HB2' ' A' ' 88' ' ' PHE . 19.2 mt -72.82 -47.53 49.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -47.26 -54.45 10.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.335 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.46 ' CG ' HD13 ' A' ' 41' ' ' LEU . 5.5 pt-20 -65.18 -35.34 80.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 110.263 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.485 ' O ' ' CD2' ' A' ' 64' ' ' PHE . . . -59.7 -28.97 67.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.413 HG22 ' N ' ' A' ' 62' ' ' THR . 0.4 OUTLIER -78.09 -57.36 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.413 ' N ' HG22 ' A' ' 61' ' ' ILE . 72.3 p -49.68 -28.38 5.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 110.416 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.489 ' NZ ' ' CH2' ' A' ' 37' ' ' TRP . 0.1 OUTLIER -69.35 -48.65 60.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 0.0 109.262 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.592 ' CE1' ' HA3' ' A' ' 38' ' ' GLY . 20.9 m-85 -60.92 -37.88 83.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.959 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.07 -56.06 12.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 110.317 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.477 ' HB3' HD21 ' A' ' 34' ' ' LEU . 1.4 tp10 -66.27 -35.13 79.61 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.473 1.108 . . . . 0.0 110.322 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 1.023 ' HB2' ' HG ' ' A' ' 34' ' ' LEU . . . -63.01 -38.54 91.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.684 HD21 HG23 ' A' ' 78' ' ' VAL . 6.0 mt -65.26 -29.61 70.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.44 HD12 ' HA ' ' A' ' 66' ' ' GLU . 0.5 OUTLIER -67.88 -33.46 74.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.826 ' HB ' ' HB2' ' A' ' 31' ' ' ALA . 5.6 mt -75.78 -39.57 38.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.466 ' OD2' ' N ' ' A' ' 74' ' ' LYS . 31.2 t70 -145.21 107.36 4.5 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -26.16 11.17 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.492 1.785 . . . . 0.0 110.979 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.84 7.17 13.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.466 ' N ' ' OD2' ' A' ' 71' ' ' ASP . 4.5 tppt? -73.1 78.42 1.23 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.33 -24.92 8.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.578 ' OE2' HG22 ' A' ' 35' ' ' THR . 4.0 tt0 -69.85 -53.98 15.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.314 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.46 -33.05 42.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.972 HG11 ' HB2' ' A' ' 111' ' ' GLN . 24.7 t -74.73 -53.31 16.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.432 ' CE3' ' HG2' ' A' ' 76' ' ' GLU . 0.4 OUTLIER -57.99 -47.33 83.31 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.589 ' HB3' ' CZ ' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -50.1 -53.97 23.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 108.298 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.754 HG21 ' CZ ' ' A' ' 108' ' ' PHE . 66.3 mt -51.95 -40.22 27.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -71.22 -43.38 55.73 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.462 1.101 . . . . 0.0 110.986 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -64.55 -33.16 75.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 0.77 . . . . 0.0 109.299 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.553 ' HB1' HG23 ' A' ' 57' ' ' ILE . . . -69.86 -54.76 12.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.588 ' CE2' HD13 ' A' ' 104' ' ' LEU . 4.8 m-85 -56.19 -47.39 78.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.523 HG23 ' CE1' ' A' ' 102' ' ' PHE . 40.9 m -54.66 -46.14 73.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.428 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 47.7 t -66.95 -51.3 56.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.994 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.916 ' HB2' HG21 ' A' ' 57' ' ' ILE . 35.9 t80 -53.89 -31.69 50.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.28 -45.91 89.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.478 ' O ' ' CE1' ' A' ' 140' ' ' TYR . 32.8 m-85 -60.49 -21.41 62.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.997 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.869 HD22 ' CG1' ' A' ' 50' ' ' ILE . 0.8 OUTLIER -95.55 -4.74 44.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.25 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -97.5 109.06 48.67 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.393 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.557 ' HA ' ' CE2' ' A' ' 140' ' ' TYR . 18.4 Cg_endo -75.05 48.23 1.96 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.476 1.777 . . . . 0.0 110.979 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.444 ' O ' ' CB ' ' A' ' 98' ' ' ALA . 3.2 m-20 -152.34 121.08 6.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -64.37 -45.77 86.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.113 . . . . 0.0 110.3 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.464 ' CG2' ' N ' ' A' ' 97' ' ' GLU . 6.9 t -51.64 -50.52 60.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.427 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.464 ' N ' ' CG2' ' A' ' 96' ' ' THR . 3.4 mm-40 -75.98 -50.21 15.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.428 1.08 . . . . 0.0 110.314 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.444 ' CB ' ' O ' ' A' ' 94' ' ' ASP . . . -52.78 -53.38 49.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 53.4 tttp -59.47 -53.19 61.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -48.87 -43.65 39.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.584 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -63.77 -54.41 35.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.799 ' HB3' ' HB1' ' A' ' 132' ' ' ALA . 4.0 m-85 -51.1 -49.0 61.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -64.45 -22.09 66.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.588 HD13 ' CE2' ' A' ' 85' ' ' TYR . 0.0 OUTLIER -75.58 -47.59 26.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.556 ' HB1' ' CZ ' ' A' ' 109' ' ' PHE . . . -62.24 -23.8 66.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.412 ' HA ' ' CD2' ' A' ' 109' ' ' PHE . 2.3 m -64.31 -54.58 30.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 110.429 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.413 ' HG2' HD23 ' A' ' 104' ' ' LEU . 0.5 OUTLIER -54.75 -23.63 18.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.17 . . . . 0.0 110.329 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.773 ' HD1' HG13 ' A' ' 78' ' ' VAL . 12.5 m-85 -82.72 -46.18 13.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.556 ' CZ ' ' HB1' ' A' ' 105' ' ' ALA . 21.8 m-30 -53.67 -37.03 62.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 111.023 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -56.72 -29.16 62.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.972 ' HB2' HG11 ' A' ' 78' ' ' VAL . 61.5 mt-30 -80.99 -42.91 20.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 110.326 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.65 -51.67 68.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.322 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.806 HG12 ' HB3' ' A' ' 122' ' ' TYR . 5.2 m -64.88 -38.99 84.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -45.4 -47.97 13.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -68.29 -37.23 80.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 110.293 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.529 ' NE2' ' OD1' ' A' ' 119' ' ' ASN . 2.2 tt0 -161.73 90.33 1.46 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.137 . . . . 0.0 110.296 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.468 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.1 Cg_endo -75.03 -3.09 13.41 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.5 1.789 . . . . 0.0 110.993 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -86.02 -8.3 58.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ASN . . . . . 0.529 ' OD1' ' NE2' ' A' ' 116' ' ' GLN . 1.1 m-20 -71.54 118.43 14.35 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.566 1.166 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 62.1 p -55.49 -50.8 68.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.377 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 8.6 m80 -49.63 -59.33 3.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.593 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.806 ' HB3' HG12 ' A' ' 113' ' ' VAL . 10.4 m-30 -51.83 -34.27 39.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.888 ' O ' HD22 ' A' ' 123' ' ' LEU . 0.0 OUTLIER -65.93 -52.09 52.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.745 ' N ' HD13 ' A' ' 123' ' ' LEU . 1.5 tptp -57.65 -40.45 79.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' SER . . . . . 0.467 ' O ' HG23 ' A' ' 129' ' ' THR . 0.8 OUTLIER -62.43 -39.3 92.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.96 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.473 HD12 ' HA ' ' A' ' 126' ' ' LEU . 10.9 tp -73.41 -44.79 57.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.54 -33.07 74.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.246 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' MET . . . . . 0.403 ' N ' ' O ' ' A' ' 124' ' ' LYS . 21.8 mmm -57.49 -29.35 64.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.467 HG22 ' HE2' ' A' ' 109' ' ' PHE . 14.0 p -68.54 -29.96 68.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 110.377 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -42.31 -48.54 5.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.413 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 0.7 OUTLIER -114.24 48.48 1.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.812 ' HB3' ' HD3' ' A' ' 133' ' ' PRO . . . -63.66 -52.86 55.58 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.262 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 133' ' ' PRO . . . . . 0.812 ' HD3' ' HB3' ' A' ' 132' ' ' ALA . 18.3 Cg_endo -75.04 -23.87 13.31 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.506 1.793 . . . . 0.0 110.986 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 134' ' ' GLN . . . . . 0.461 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 6.3 tp-100 -80.47 -50.68 9.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.715 ' O ' ' HB2' ' A' ' 139' ' ' ALA . 59.0 mt -51.58 -40.57 60.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.268 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -68.02 -44.58 76.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.617 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.521 ' O ' ' CB ' ' A' ' 141' ' ' LYS . . . -61.79 -52.44 64.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.258 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.47 ' CG ' ' HA ' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -68.92 -27.03 65.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.715 ' HB2' ' O ' ' A' ' 135' ' ' LEU . . . -63.94 -50.65 67.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 140' ' ' TYR . . . . . 0.557 ' CE2' ' HA ' ' A' ' 93' ' ' PRO . 6.4 m-85 -84.17 -43.22 15.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.974 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 141' ' ' LYS . . . . . 0.521 ' CB ' ' O ' ' A' ' 137' ' ' ALA . 1.3 ttpt -57.34 -48.11 79.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.292 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.5 ttm180 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 1.019 HG23 ' CD2' ' A' ' 44' ' ' LEU . 16.1 mt -62.77 -33.85 62.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.528 HD23 ' N ' ' A' ' 11' ' ' LEU . 4.4 mt -63.67 -41.11 98.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.883 HD12 HD12 ' A' ' 16' ' ' ILE . 0.2 OUTLIER -61.38 -47.96 83.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.749 ' CD1' HG23 ' A' ' 40' ' ' VAL . 13.8 m-85 -63.81 -25.38 68.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.972 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.426 ' CG ' ' O ' ' A' ' 10' ' ' ILE . 3.0 mm-40 -68.0 -55.94 10.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.237 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.477 ' HG3' ' N ' ' A' ' 16' ' ' ILE . 3.8 pt20 -55.99 -29.41 60.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.328 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.883 HD12 HD12 ' A' ' 12' ' ' LEU . 12.7 mt -71.45 -51.04 36.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 109.345 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.51 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 2.3 ttt180 -51.36 -58.49 6.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.261 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.43 ' HG3' ' N ' ' A' ' 19' ' ' ASP . 18.1 pt20 -50.77 -46.32 59.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.322 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.43 ' N ' ' HG3' ' A' ' 18' ' ' GLN . 0.1 OUTLIER -62.89 -28.47 70.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.739 ' HB1' ' CG ' ' A' ' 37' ' ' TRP . . . -70.98 -41.91 70.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.659 ' HG2' ' CZ2' ' A' ' 37' ' ' TRP . 2.9 mt-10 -66.46 -40.46 89.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 110.285 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.486 ' HA ' ' CE ' ' A' ' 25' ' ' LYS . 11.2 t-20 -75.52 -36.71 60.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.344 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.587 HG21 ' CG ' ' A' ' 33' ' ' ASN . 1.3 m -60.41 -26.23 66.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.412 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.452 ' O ' ' CD ' ' A' ' 28' ' ' PRO . 0.0 OUTLIER -54.58 -60.92 2.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.994 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.486 ' CE ' ' HA ' ' A' ' 22' ' ' ASN . 0.0 OUTLIER -64.09 -26.76 68.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.5 t -71.82 -39.5 69.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.988 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -169.57 84.53 0.62 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.452 ' CD ' ' O ' ' A' ' 24' ' ' TYR . 18.3 Cg_endo -74.98 -0.87 10.48 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.44 1.758 . . . . 0.0 111.028 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.811 ' O ' HG21 ' A' ' 70' ' ' ILE . 9.8 mt -91.08 -23.62 20.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -64.58 99.44 0.31 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.807 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . . . -74.01 -21.76 59.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -69.81 -47.5 62.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.266 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.587 ' CG ' HG21 ' A' ' 23' ' ' THR . 0.2 OUTLIER -70.94 -40.06 72.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.847 HD22 ' O ' ' A' ' 63' ' ' LYS . 0.2 OUTLIER -59.17 -50.21 74.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.095 . . . . 0.0 109.283 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 40.3 m -58.74 -35.12 72.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.408 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.46 -23.93 62.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 110.298 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.739 ' CG ' ' HB1' ' A' ' 20' ' ' ALA . 6.1 t90 -67.02 -27.47 67.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 0.0 107.991 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.616 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -84.79 -58.21 2.17 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -38.89 -44.98 2.04 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.749 HG23 ' CD1' ' A' ' 13' ' ' PHE . 4.7 p -67.38 -48.79 76.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.515 0.773 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.63 HD11 ' OE2' ' A' ' 59' ' ' GLU . 12.0 mt -49.69 -44.14 47.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 17.2 mt -64.27 -37.88 89.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.516 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 15.2 mm-40 -63.03 -51.62 66.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.349 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 1.019 ' CD2' HG23 ' A' ' 10' ' ' ILE . 13.9 mt -62.06 -34.08 75.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.425 ' N ' ' HE1' ' A' ' 56' ' ' MET . 0.3 OUTLIER -61.9 -21.57 64.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.037 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.684 ' HB2' ' CE1' ' A' ' 47' ' ' PHE . 36.3 mt-30 -67.97 -3.43 9.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 110.365 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.684 ' CE1' ' HB2' ' A' ' 46' ' ' GLN . 0.1 OUTLIER -157.05 60.89 0.51 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.14 . . . . 0.0 110.989 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -157.03 140.61 15.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.585 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.3 t -40.7 136.5 1.37 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.136 . . . . 0.0 110.005 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.939 ' CG1' HD22 ' A' ' 91' ' ' LEU . 1.0 OUTLIER -48.04 -41.83 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.0 t -52.21 -47.71 65.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 109.994 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.36 -26.61 38.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.582 ' HB3' ' HA ' ' A' ' 50' ' ' ILE . . . -61.85 -53.29 57.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.113 . . . . 0.0 109.247 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.477 ' CD ' HG23 ' A' ' 50' ' ' ILE . 23.9 mtpt -55.87 -53.28 58.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -54.81 -42.93 72.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 110.315 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.611 ' HG2' HD22 ' A' ' 41' ' ' LEU . 8.8 mtp -65.45 -36.58 84.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 111.026 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.764 HG21 ' HB2' ' A' ' 88' ' ' PHE . 18.3 mt -72.61 -51.42 28.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.461 ' O ' HG23 ' A' ' 62' ' ' THR . 4.1 mt-30 -45.49 -54.37 7.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.63 ' OE2' HD11 ' A' ' 41' ' ' LEU . 3.1 pt-20 -65.12 -35.34 80.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 110.328 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.413 ' N ' ' HG2' ' A' ' 59' ' ' GLU . . . -59.52 -28.87 67.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.404 HG22 ' N ' ' A' ' 62' ' ' THR . 0.4 OUTLIER -76.37 -56.19 8.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.461 HG23 ' O ' ' A' ' 58' ' ' GLN . 56.8 p -50.21 -35.33 26.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 110.394 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.847 ' O ' HD22 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -60.39 -51.97 67.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.234 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.616 ' CE1' ' HA3' ' A' ' 38' ' ' GLY . 21.5 m-85 -56.96 -41.24 77.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 111.039 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.79 -55.67 10.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 110.35 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.445 ' HA ' HD12 ' A' ' 69' ' ' LEU . 2.3 tp10 -56.46 -38.8 72.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.327 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.717 ' HA ' HD12 ' A' ' 70' ' ' ILE . . . -64.3 -43.75 93.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.71 HD21 HG23 ' A' ' 78' ' ' VAL . 13.8 mt -60.75 -29.19 69.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.445 HD12 ' HA ' ' A' ' 66' ' ' GLU . 0.7 OUTLIER -69.33 -34.97 75.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.811 HG21 ' O ' ' A' ' 29' ' ' LEU . 5.9 mt -71.44 -44.34 71.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -149.08 113.61 3.6 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -6.31 17.89 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.475 1.776 . . . . 0.0 111.005 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 75' ' ' ASP . 5.6 mmtp -87.24 -6.98 58.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.503 ' CE ' ' HA ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -65.89 74.77 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.9 OUTLIER -51.81 -34.7 41.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.438 ' HG3' ' CE3' ' A' ' 79' ' ' TRP . 24.2 tt0 -59.21 -52.44 65.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.56 -32.33 40.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.303 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.969 HG11 ' HB2' ' A' ' 111' ' ' GLN . 25.4 t -74.53 -52.97 18.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.438 ' CE3' ' HG3' ' A' ' 76' ' ' GLU . 0.4 OUTLIER -59.25 -48.77 80.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 108.017 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.576 ' HB3' ' CZ ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -50.37 -53.5 28.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 108.267 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.573 HG21 ' CZ ' ' A' ' 108' ' ' PHE . 55.1 mt -51.85 -30.87 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.47 ' HA3' ' CE1' ' A' ' 109' ' ' PHE . . . -80.06 -42.17 11.22 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -64.45 -31.73 73.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 0.769 . . . . 0.0 109.331 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.572 ' HB1' HG23 ' A' ' 57' ' ' ILE . . . -69.88 -55.71 9.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.512 ' CD2' ' O ' ' A' ' 81' ' ' ILE . 7.9 m-85 -54.17 -41.13 68.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.583 1.177 . . . . 0.0 110.967 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 17.5 m -54.7 -50.82 67.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.425 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.2 t -64.07 -51.82 62.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.003 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.764 ' HB2' HG21 ' A' ' 57' ' ' ILE . 45.7 t80 -51.1 -41.83 60.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 111.014 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.701 ' HB1' ' CD2' ' A' ' 102' ' ' PHE . . . -56.09 -52.62 63.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -55.0 -18.0 4.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.939 HD22 ' CG1' ' A' ' 50' ' ' ILE . 33.6 mt -93.89 -22.35 18.67 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.452 HG22 ' HB2' ' A' ' 98' ' ' ALA . 0.9 OUTLIER -96.9 116.55 66.11 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 110.426 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.443 ' O ' ' N ' ' A' ' 95' ' ' GLU . 18.3 Cg_endo -75.03 -24.52 12.68 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.557 1.819 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -58.98 86.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 93' ' ' PRO . 49.7 mt-10 -39.88 -47.25 2.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.09 . . . . 0.0 110.309 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.4 m -52.61 -51.29 60.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.39 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -72.54 -48.93 36.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.572 1.17 . . . . 0.0 110.331 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.452 ' HB2' HG22 ' A' ' 92' ' ' THR . . . -53.19 -53.81 45.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.41 -43.07 97.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.128 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -59.7 -43.46 94.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.156 . . . . 0.0 109.574 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -72.52 -47.6 47.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.259 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.898 ' CD1' ' HB1' ' A' ' 132' ' ' ALA . 1.6 m-85 -52.25 -50.27 62.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 111.021 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.81 -19.82 65.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.491 HD23 ' HG2' ' A' ' 107' ' ' GLN . 0.0 OUTLIER -68.57 -45.03 73.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.674 ' HB1' ' CZ ' ' A' ' 109' ' ' PHE . . . -59.72 -34.77 73.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 4.3 m -58.33 -56.57 20.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 110.349 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.491 ' HG2' HD23 ' A' ' 104' ' ' LEU . 0.8 OUTLIER -55.07 -24.2 24.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.275 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.738 ' HD1' HG13 ' A' ' 78' ' ' VAL . 4.5 m-85 -84.42 -49.46 8.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.674 ' CZ ' ' HB1' ' A' ' 105' ' ' ALA . 21.4 m-85 -54.6 -32.23 58.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.128 . . . . 0.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.439 ' HA ' ' NE2' ' A' ' 110' ' ' GLN . 4.0 tp60 -60.11 -28.99 68.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.969 ' HB2' HG11 ' A' ' 78' ' ' VAL . 37.7 mt-30 -81.42 -37.65 27.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -57.19 -52.86 63.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 117' ' ' PRO . 4.4 m -63.94 -34.53 68.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -44.37 -45.43 8.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.475 ' C ' ' HG2' ' A' ' 116' ' ' GLN . 29.5 mm-40 -75.03 -44.25 48.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 110.332 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.475 ' HG2' ' C ' ' A' ' 115' ' ' GLU . 1.3 mm-40 -138.72 83.83 19.04 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 110.34 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.457 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.2 Cg_endo -74.99 -11.76 21.5 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.464 1.77 . . . . 0.0 110.986 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -92.91 -12.42 30.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ASN . . . . . 0.411 ' HB3' ' ND1' ' A' ' 121' ' ' HIS . 15.6 m-20 -71.96 115.71 11.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.526 HG23 ' H ' ' A' ' 121' ' ' HIS . 1.5 t -54.93 -57.75 10.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 0.0 110.416 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' HIS . . . . . 0.566 ' N ' ' ND1' ' A' ' 121' ' ' HIS . 0.0 OUTLIER -45.86 -35.99 4.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.112 . . . . 0.0 109.592 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.408 ' O ' ' OG ' ' A' ' 125' ' ' SER . 4.1 m-30 -81.24 -25.6 36.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 111.026 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.929 HD13 ' N ' ' A' ' 124' ' ' LYS . 0.0 OUTLIER -81.42 -45.99 15.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.929 ' N ' HD13 ' A' ' 123' ' ' LEU . 5.3 tptt -49.89 -39.14 38.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' SER . . . . . 0.423 ' O ' ' HB ' ' A' ' 129' ' ' THR . 0.0 OUTLIER -54.68 -41.91 70.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.997 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.492 HD22 ' HB3' ' A' ' 109' ' ' PHE . 3.0 mm? -66.67 -43.65 83.96 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.629 ' O ' ' HB3' ' A' ' 130' ' ' ALA . 3.1 tp10 -67.9 -42.65 80.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.255 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.38 -59.81 4.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 110.97 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.473 ' O ' ' HB2' ' A' ' 132' ' ' ALA . 0.5 OUTLIER -56.58 -22.23 32.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.395 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.629 ' HB3' ' O ' ' A' ' 127' ' ' GLU . . . -44.06 -53.88 5.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.412 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 3.3 mttt -96.71 41.99 1.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.898 ' HB1' ' CD1' ' A' ' 102' ' ' PHE . . . -58.49 -48.26 97.25 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 133' ' ' PRO . . . . . 0.652 ' HD3' ' HB3' ' A' ' 132' ' ' ALA . 18.2 Cg_endo -75.04 -24.55 12.66 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.455 1.766 . . . . 0.0 111.002 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 134' ' ' GLN . . . . . 0.444 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 18.4 tp60 -80.58 -47.42 14.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.311 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.643 ' O ' ' HB2' ' A' ' 139' ' ' ALA . 9.0 mt -55.98 -41.65 75.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 136' ' ' HIS . . . . . 0.589 ' HB2' ' CE2' ' A' ' 102' ' ' PHE . 59.4 t-80 -66.5 -42.56 87.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.604 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.537 ' O ' ' CB ' ' A' ' 141' ' ' LYS . . . -62.09 -52.92 61.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.502 ' O ' ' CG ' ' A' ' 142' ' ' GLN . 0.0 OUTLIER -69.43 -36.25 76.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.643 ' HB2' ' O ' ' A' ' 135' ' ' LEU . . . -56.93 -48.16 78.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 140' ' ' TYR . . . . . 0.569 ' CE1' ' CD2' ' A' ' 136' ' ' HIS . 5.1 m-85 -83.99 -43.06 15.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.981 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 141' ' ' LYS . . . . . 0.537 ' CB ' ' O ' ' A' ' 137' ' ' ALA . 3.9 tmtt? -58.54 -48.03 82.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.161 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 142' ' ' GLN . . . . . 0.502 ' CG ' ' O ' ' A' ' 138' ' ' GLU . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 110.259 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.433 ' NH1' ' HB2' ' A' ' 9' ' ' ARG . 10.5 ttm105 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.872 HG23 ' CD2' ' A' ' 44' ' ' LEU . 96.5 mt -63.56 -37.7 80.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.415 HD23 ' N ' ' A' ' 11' ' ' LEU . 5.9 mt -57.34 -33.35 67.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.794 HD12 HD12 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -70.22 -50.47 39.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.526 ' HD1' HG23 ' A' ' 40' ' ' VAL . 18.3 m-85 -63.88 -30.93 71.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 0.0 110.966 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -61.85 -60.27 3.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 110.299 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.456 ' HA ' ' NE2' ' A' ' 18' ' ' GLN . 10.3 pt20 -49.72 -35.3 21.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 110.315 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.794 HD12 HD12 ' A' ' 12' ' ' LEU . 20.7 mt -71.35 -47.8 57.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.561 1.163 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.1 ttt180 -52.05 -46.7 65.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 110.278 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.456 ' NE2' ' HA ' ' A' ' 15' ' ' GLN . 15.2 pt20 -67.46 -42.05 83.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.452 ' O ' ' CB ' ' A' ' 23' ' ' THR . 0.1 OUTLIER -65.64 -39.29 91.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.162 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.847 ' HB1' ' HB2' ' A' ' 37' ' ' TRP . . . -73.58 -54.77 7.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.259 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.556 ' HG3' ' CZ2' ' A' ' 37' ' ' TRP . 8.3 tt0 -54.86 -47.67 73.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.7 t30 -64.67 -47.69 77.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.618 HG21 ' CG ' ' A' ' 33' ' ' ASN . 2.5 m -54.02 -24.43 16.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 110.391 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.443 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 8.6 t80 -52.84 -60.13 3.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.963 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.78 -27.17 69.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.4 t -70.6 -36.21 73.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.165 . . . . 0.0 110.027 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -169.36 89.76 0.58 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -2.55 12.68 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.493 1.786 . . . . 0.0 110.986 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.828 ' O ' HG21 ' A' ' 70' ' ' ILE . 8.1 mt -91.42 -10.68 40.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -73.66 99.83 3.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.467 1.105 . . . . 0.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.745 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . . . -70.18 -21.9 63.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.364 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -72.22 -55.41 7.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.618 ' CG ' HG21 ' A' ' 23' ' ' THR . 24.0 t-20 -70.8 -32.08 69.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.25 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.995 ' HG ' ' HB2' ' A' ' 67' ' ' ALA . 0.5 OUTLIER -65.27 -55.07 20.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 109.267 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.1 m -59.8 -33.45 71.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.389 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.423 ' HD3' ' CG2' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -70.38 -44.57 67.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.315 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.847 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . 13.7 t90 -51.63 -27.67 12.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 108.006 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.426 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -83.88 -56.58 2.57 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.509 1.13 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -40.49 -45.58 3.43 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.526 HG23 ' HD1' ' A' ' 13' ' ' PHE . 0.9 OUTLIER -67.31 -46.52 83.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.471 0.748 . . . . 0.0 109.296 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.446 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 10.0 mt -49.31 -44.94 44.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.322 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 17.6 mt -62.83 -38.42 90.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.166 . . . . 0.0 109.291 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -65.72 -56.46 11.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.335 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.872 ' CD2' HG23 ' A' ' 10' ' ' ILE . 11.8 mt -61.71 -25.5 67.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.32 -36.09 75.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 110.005 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.486 ' CG ' ' N ' ' A' ' 47' ' ' PHE . 1.3 pt20 -67.93 -44.97 75.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.622 ' HB3' HD11 ' A' ' 10' ' ' ILE . 74.8 m-85 -78.02 -20.5 52.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.982 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.444 ' N ' ' O ' ' A' ' 44' ' ' LEU . 20.0 m-70 -92.92 137.87 31.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.168 . . . . 0.0 109.617 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.515 ' O ' ' N ' ' A' ' 53' ' ' ALA . 25.8 p -40.81 154.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.993 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.746 ' CG1' HD22 ' A' ' 91' ' ' LEU . 1.0 OUTLIER -53.01 -50.02 46.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.424 ' N ' HG22 ' A' ' 50' ' ' ILE . 5.7 t -46.31 -46.56 18.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.992 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.469 ' O ' ' CG ' ' A' ' 56' ' ' MET . 0.4 OUTLIER -82.14 -25.37 34.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 109.273 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.679 ' HB3' ' HA ' ' A' ' 50' ' ' ILE . . . -67.77 -56.4 9.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.524 ' CD ' HG23 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -58.22 -48.98 78.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.431 ' NE2' ' OD1' ' A' ' 52' ' ' ASP . 1.5 pt20 -61.47 -33.42 73.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.24 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.539 ' HE1' ' C ' ' A' ' 44' ' ' LEU . 36.1 mtp -70.59 -30.46 67.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 111.012 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.91 HG23 ' HB1' ' A' ' 84' ' ' ALA . 36.3 mt -72.79 -47.14 50.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.449 ' O ' HG22 ' A' ' 62' ' ' THR . 19.9 mt-30 -46.06 -54.38 8.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 110.312 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.498 ' HA ' ' CG2' ' A' ' 62' ' ' THR . 5.1 pt-20 -66.04 -38.33 88.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.317 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.16 -49.47 77.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.113 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.612 HG22 ' N ' ' A' ' 62' ' ' THR . 0.1 OUTLIER -53.24 -62.27 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.612 ' N ' HG22 ' A' ' 61' ' ' ILE . 1.8 t -51.84 -28.52 16.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.391 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.485 ' HE3' ' CH2' ' A' ' 37' ' ' TRP . 0.6 OUTLIER -65.92 -36.89 84.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.613 ' CZ ' ' SG ' ' A' ' 80' ' ' CYS . 21.5 m-85 -71.21 -39.51 71.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -48.27 -55.53 10.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 110.289 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.636 ' HB3' HD21 ' A' ' 34' ' ' LEU . 0.7 OUTLIER -60.88 -44.97 96.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.091 . . . . 0.0 110.266 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.995 ' HB2' ' HG ' ' A' ' 34' ' ' LEU . . . -57.87 -33.75 69.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.691 HD21 HG23 ' A' ' 78' ' ' VAL . 7.2 mt -70.02 -30.59 67.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' A' ' 66' ' ' GLU . 0.5 OUTLIER -68.34 -29.62 68.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.828 HG21 ' O ' ' A' ' 29' ' ' LEU . 4.3 mt -78.96 -41.14 23.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.088 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -147.05 103.54 3.83 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -16.24 20.3 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.528 1.804 . . . . 0.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt -82.67 -0.9 49.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.59 81.13 2.0 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.463 ' HB3' ' CG ' ' A' ' 115' ' ' GLU . 0.3 OUTLIER -54.07 -26.13 25.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.259 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.416 ' HG3' ' CE3' ' A' ' 79' ' ' TRP . 2.2 tp10 -65.53 -52.44 52.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.329 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.5 -32.83 42.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.338 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.99 HG11 ' HB2' ' A' ' 111' ' ' GLN . 37.0 t -74.65 -53.39 16.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 109.286 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.416 ' CE3' ' HG3' ' A' ' 76' ' ' GLU . 0.4 OUTLIER -57.83 -44.34 86.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 107.985 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.613 ' SG ' ' CZ ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -50.28 -53.33 29.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 108.318 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.786 HG21 ' CZ ' ' A' ' 108' ' ' PHE . 86.2 mt -51.93 -51.65 27.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.575 ' HA3' ' CE1' ' A' ' 109' ' ' PHE . . . -61.16 -42.3 99.74 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.485 1.116 . . . . 0.0 111.028 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -64.0 -36.22 83.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 0.774 . . . . 0.0 109.272 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.91 ' HB1' HG23 ' A' ' 57' ' ' ILE . . . -69.67 -54.63 12.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.11 . . . . 0.0 109.298 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.626 ' CE2' HD11 ' A' ' 104' ' ' LEU . 3.8 m-85 -56.05 -39.54 72.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 54.9 m -60.6 -49.31 78.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 110.418 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.2 m -66.62 -49.28 66.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.965 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.745 ' HB2' HG21 ' A' ' 57' ' ' ILE . 18.4 t80 -52.66 -32.92 44.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 111.041 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.427 ' HB1' ' CD2' ' A' ' 102' ' ' PHE . . . -63.39 -49.59 73.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -56.19 -21.19 21.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.746 HD22 ' CG1' ' A' ' 50' ' ' ILE . 12.6 mt -89.27 -23.71 22.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.422 HG22 ' HB2' ' A' ' 98' ' ' ALA . 0.8 OUTLIER -94.65 119.09 66.68 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.386 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.514 ' HA ' ' CE2' ' A' ' 140' ' ' TYR . 18.4 Cg_endo -74.99 -28.02 9.55 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.525 1.803 . . . . 0.0 111.037 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.95 93.11 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -43.86 -47.2 8.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.3 m -52.1 -49.93 62.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.351 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -72.72 -48.28 40.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.125 . . . . 0.0 110.331 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.422 ' HB2' HG22 ' A' ' 92' ' ' THR . . . -54.11 -53.55 51.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.353 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.4 -42.18 95.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.489 ' O ' ' CB ' ' A' ' 104' ' ' LEU . 0.1 OUTLIER -57.45 -46.1 84.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.626 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ASN . . . . . 0.414 ' O ' ' N ' ' A' ' 105' ' ' ALA . 50.5 m-20 -70.26 -46.76 63.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.767 ' CD1' ' HB1' ' A' ' 132' ' ' ALA . 1.1 m-85 -51.3 -54.26 27.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.39 -35.41 73.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.696 HD22 ' O ' ' A' ' 104' ' ' LEU . 1.5 tm? -66.12 -22.16 66.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.35 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 101' ' ' ASN . . . -82.3 -25.07 34.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.8 m -67.71 -50.64 56.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 110.366 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -46.59 -30.66 2.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.331 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.786 ' CZ ' HG21 ' A' ' 81' ' ' ILE . 11.2 m-85 -79.41 -48.3 14.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.112 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.617 ' CD2' HG21 ' A' ' 129' ' ' THR . 22.2 m-85 -54.37 -27.09 33.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.563 1.165 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.69 -28.73 68.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.281 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.99 ' HB2' HG11 ' A' ' 78' ' ' VAL . 35.2 mt-30 -82.43 -35.91 27.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.4 -49.76 76.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.794 HG12 ' HB3' ' A' ' 122' ' ' TYR . 7.1 m -66.37 -36.8 78.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -45.19 -48.29 12.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.463 ' CG ' ' HB3' ' A' ' 75' ' ' ASP . 20.2 mm-40 -70.04 -42.31 73.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.251 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.549 ' HG3' ' CD2' ' A' ' 122' ' ' TYR . 20.3 pt20 -151.77 88.44 4.23 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 110.313 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.476 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.3 Cg_endo -75.0 -2.07 12.06 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.498 1.788 . . . . 0.0 111.01 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -91.97 -12.34 33.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -67.23 118.67 10.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 44.4 p -54.97 -48.91 72.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 110.396 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 8.0 m80 -49.26 -50.43 38.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.615 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.794 ' HB3' HG12 ' A' ' 113' ' ' VAL . 9.6 m-30 -67.62 -30.62 70.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 110.961 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.918 HD13 ' N ' ' A' ' 124' ' ' LYS . 0.0 OUTLIER -71.49 -53.26 14.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.918 ' N ' HD13 ' A' ' 123' ' ' LEU . 3.1 tptt -59.01 -45.93 89.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.257 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' SER . . . . . 0.476 ' O ' ' HG3' ' A' ' 128' ' ' MET . 0.5 OUTLIER -55.39 -45.58 76.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.028 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.47 ' O ' ' OG1' ' A' ' 129' ' ' THR . 14.5 tp -74.27 -29.35 61.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.234 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 123' ' ' LEU . 3.1 tp10 -68.78 -57.47 5.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 110.324 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' MET . . . . . 0.494 ' SD ' ' N ' ' A' ' 129' ' ' THR . 3.6 ppp? -55.71 -37.61 68.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 111.049 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.617 HG21 ' CD2' ' A' ' 109' ' ' PHE . 0.2 OUTLIER -53.2 -34.31 56.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.405 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -43.64 -35.69 1.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 23.6 mtmt -114.42 44.92 1.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.767 ' HB1' ' CD1' ' A' ' 102' ' ' PHE . . . -63.28 -44.44 83.08 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 133' ' ' PRO . . . . . 0.639 ' CD ' ' N ' ' A' ' 132' ' ' ALA . 18.3 Cg_endo -75.01 -29.69 7.95 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.483 1.78 . . . . 0.0 111.002 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 134' ' ' GLN . . . . . 0.465 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 53.6 mm-40 -80.86 -47.24 14.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 110.3 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.694 ' O ' ' HB2' ' A' ' 139' ' ' ALA . 48.8 mt -51.13 -40.86 59.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 136' ' ' HIS . . . . . 0.578 ' HB2' ' CE2' ' A' ' 102' ' ' PHE . 60.2 t-80 -68.07 -44.51 76.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.593 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.541 ' O ' ' CB ' ' A' ' 141' ' ' LYS . . . -61.72 -52.58 63.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 109.308 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.501 ' O ' ' CB ' ' A' ' 142' ' ' GLN . 0.1 OUTLIER -68.56 -26.89 65.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 0.0 110.304 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.694 ' HB2' ' O ' ' A' ' 135' ' ' LEU . . . -66.44 -51.6 55.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.151 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 140' ' ' TYR . . . . . 0.514 ' CE2' ' HA ' ' A' ' 93' ' ' PRO . 5.8 m-85 -81.69 -42.37 20.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.951 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 141' ' ' LYS . . . . . 0.541 ' CB ' ' O ' ' A' ' 137' ' ' ALA . 0.3 OUTLIER -61.16 -48.07 83.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.157 . . . . 0.0 109.307 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 142' ' ' GLN . . . . . 0.501 ' CB ' ' O ' ' A' ' 138' ' ' GLU . 1.2 tm0? . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.305 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 89.55 1.15 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.49 1.784 . . . . 0.0 111.003 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 62.29 176.55 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 154.55 136.11 2.19 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.482 1.114 . . . . 0.0 110.975 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 85.2 p -73.33 -36.25 66.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 0.757 . . . . 0.0 109.997 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 55.33 90.29 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 110.953 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -173.53 -51.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.8 t -166.18 -41.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 110.375 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 65.0 154.06 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 110.331 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.499 ' O ' ' CB ' ' A' ' 6' ' ' GLU . 31.3 m -89.75 19.68 4.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 110.424 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.499 ' CB ' ' O ' ' A' ' 5' ' ' THR . 0.4 OUTLIER 86.05 -42.48 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.307 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.44 ' N ' ' HG2' ' A' ' 6' ' ' GLU . 18.1 m-30 -49.78 -54.91 16.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 110.984 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -47.42 -40.47 17.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.137 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.6 ttm180 -71.55 -31.5 67.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 110.31 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.724 HG23 ' CD2' ' A' ' 44' ' ' LEU . 30.0 mt -66.6 -39.64 84.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.277 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.8 mt -61.38 -42.72 99.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.574 HD12 ' CD1' ' A' ' 16' ' ' ILE . 0.1 OUTLIER -53.99 -53.21 56.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.607 ' HB3' HG22 ' A' ' 40' ' ' VAL . 26.5 m-85 -63.91 -34.67 78.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 111.028 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -58.1 -59.9 4.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.273 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.463 ' HG3' ' N ' ' A' ' 16' ' ' ILE . 3.2 pt20 -50.56 -33.19 20.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 110.34 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.574 ' CD1' HD12 ' A' ' 12' ' ' LEU . 25.4 mt -71.34 -51.8 31.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.155 . . . . 0.0 109.313 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -51.23 -49.79 60.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.414 1.071 . . . . 0.0 110.274 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.435 ' O ' ' CB ' ' A' ' 22' ' ' ASN . 13.0 pt20 -64.24 -42.88 96.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 110.277 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.468 ' O ' ' CB ' ' A' ' 23' ' ' THR . 0.6 OUTLIER -64.53 -40.02 94.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.905 ' HB1' ' HB2' ' A' ' 37' ' ' TRP . . . -73.48 -57.51 3.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 109.345 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.565 ' HG3' ' CZ2' ' A' ' 37' ' ' TRP . 14.5 tt0 -52.88 -49.83 65.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.275 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.435 ' CB ' ' O ' ' A' ' 18' ' ' GLN . 16.1 t30 -62.73 -40.83 98.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.809 HG21 ' CG ' ' A' ' 33' ' ' ASN . 1.7 m -61.87 -24.79 67.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 110.361 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.571 ' HE1' HD21 ' A' ' 34' ' ' LEU . 7.9 t80 -51.95 -60.1 3.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.961 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.46 -28.4 69.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.64 -30.6 67.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.956 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.408 ' N ' ' O ' ' A' ' 23' ' ' THR . 1.9 t30 -169.46 90.39 0.56 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -1.91 11.84 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.507 1.793 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.898 ' O ' HG21 ' A' ' 70' ' ' ILE . 6.6 mt -89.01 -28.32 20.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -64.26 98.75 0.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.352 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.848 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . . . -71.98 -25.84 62.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 -63.41 -51.33 66.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.809 ' CG ' HG21 ' A' ' 23' ' ' THR . 1.0 OUTLIER -69.55 -32.82 71.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.283 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.885 HD22 ' O ' ' A' ' 63' ' ' LYS . 0.3 OUTLIER -66.93 -39.52 87.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 24.1 m -72.41 -50.46 26.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.399 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.61 ' HD2' ' HB2' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -60.62 -24.32 65.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.294 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.905 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . 14.4 t90 -67.63 -28.18 67.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 107.998 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.604 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -84.47 -55.03 2.81 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.488 1.118 . . . . 0.0 111.008 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -40.23 -44.75 3.03 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.607 HG22 ' HB3' ' A' ' 13' ' ' PHE . 1.3 p -67.46 -47.3 81.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 0.776 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.454 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 13.8 mt -48.36 -44.44 34.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.5 mt -65.48 -40.49 93.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -65.7 -57.23 8.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 110.327 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.724 ' CD2' HG23 ' A' ' 10' ' ' ILE . 5.9 mt -59.81 -29.07 67.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.3 m -61.93 -27.52 68.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.977 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -67.74 -44.34 77.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 110.263 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.618 ' HB3' HD11 ' A' ' 10' ' ' ILE . 52.2 m-85 -79.37 -32.56 43.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 40.5 m-70 -78.8 143.31 36.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.602 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 53' ' ' ALA . 0.4 OUTLIER -44.34 150.32 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 110.009 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.952 ' CG1' HD22 ' A' ' 91' ' ' LEU . 0.1 OUTLIER -51.33 -50.88 26.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.485 ' HA ' ' CE ' ' A' ' 54' ' ' LYS . 0.4 OUTLIER -44.82 -51.13 9.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.972 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.401 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 17.1 m-20 -76.01 -24.95 55.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.632 ' HB3' ' HA ' ' A' ' 50' ' ' ILE . . . -69.23 -42.4 75.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.275 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.517 ' CE ' HG23 ' A' ' 50' ' ' ILE . 5.1 mtmp? -62.71 -57.37 11.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.47 ' HG3' ' N ' ' A' ' 56' ' ' MET . 0.0 OUTLIER -56.06 -33.41 64.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.47 ' N ' ' HG3' ' A' ' 55' ' ' GLN . 16.1 mtp -70.62 -33.79 71.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.958 HG21 ' HB2' ' A' ' 88' ' ' PHE . 44.0 mt -72.75 -51.11 29.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -45.74 -54.14 8.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -65.92 -34.53 78.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 110.267 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.56 -29.4 67.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.328 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.494 HG12 ' CE1' ' A' ' 85' ' ' TYR . 0.4 OUTLIER -75.52 -59.36 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.919 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.47 ' N ' HG22 ' A' ' 61' ' ' ILE . 20.6 p -49.61 -31.13 10.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.466 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.885 ' O ' HD22 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -66.05 -46.06 79.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.341 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.604 ' CE1' ' HA3' ' A' ' 38' ' ' GLY . 23.1 m-85 -61.14 -39.34 89.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.989 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -48.74 -55.37 11.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.33 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.453 ' HA ' HD12 ' A' ' 69' ' ' LEU . 1.0 OUTLIER -58.86 -38.48 78.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.324 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.69 ' HB2' ' HB3' ' A' ' 34' ' ' LEU . . . -64.05 -40.98 97.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.78 HD21 HG23 ' A' ' 78' ' ' VAL . 9.4 mt -63.11 -28.84 70.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.453 HD12 ' HA ' ' A' ' 66' ' ' GLU . 0.6 OUTLIER -69.44 -38.73 77.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.898 HG21 ' O ' ' A' ' 29' ' ' LEU . 5.0 mt -72.79 -41.91 61.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.267 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -143.54 104.37 5.01 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -17.76 19.3 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.449 1.763 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.88 0.01 46.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.095 . . . . 0.0 109.342 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.91 77.51 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.281 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.11 -26.38 11.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.258 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.457 ' HG3' ' CE3' ' A' ' 79' ' ' TRP . 0.8 OUTLIER -70.08 -52.3 24.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.295 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.36 -32.64 39.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 109.323 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.911 HG11 ' HB2' ' A' ' 111' ' ' GLN . 20.5 t -74.56 -52.81 18.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.457 ' CE3' ' HG3' ' A' ' 76' ' ' GLU . 0.4 OUTLIER -59.19 -46.85 87.32 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.579 ' HB3' ' CZ ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -50.29 -53.1 31.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 108.315 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.526 HG21 ' CZ ' ' A' ' 108' ' ' PHE . 56.7 mt -51.93 -38.92 24.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.483 ' HA3' ' CE1' ' A' ' 109' ' ' PHE . . . -72.99 -42.87 43.0 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.47 1.106 . . . . 0.0 111.017 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -63.78 -29.51 70.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 0.761 . . . . 0.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.594 ' HB1' HG23 ' A' ' 57' ' ' ILE . . . -69.63 -54.99 11.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.13 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.494 ' CE1' HG12 ' A' ' 61' ' ' ILE . 21.0 m-30 -56.23 -46.67 79.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 33.8 m -55.38 -46.24 76.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 110.45 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 34.0 t -67.17 -51.42 53.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.017 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.958 ' HB2' HG21 ' A' ' 57' ' ' ILE . 44.2 t80 -55.35 -34.36 64.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 111.007 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.596 ' HB1' ' CE2' ' A' ' 102' ' ' PHE . . . -59.78 -51.58 69.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.409 ' O ' ' CE1' ' A' ' 140' ' ' TYR . 40.7 m-85 -55.07 -23.97 22.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 111.04 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.952 HD22 ' CG1' ' A' ' 50' ' ' ILE . 21.2 mt -90.73 -19.61 23.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.406 ' O ' ' NE2' ' A' ' 136' ' ' HIS . 0.9 OUTLIER -95.84 119.22 65.22 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.402 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.528 ' HA ' ' CE2' ' A' ' 140' ' ' TYR . 18.2 Cg_endo -75.06 -27.18 10.14 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.508 1.794 . . . . 0.0 110.984 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 95' ' ' GLU . 0.1 OUTLIER -59.48 85.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 93' ' ' PRO . 56.5 mt-10 -38.14 -47.31 1.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.2 m -53.27 -57.69 9.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.436 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -63.4 -48.8 76.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 110.291 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.43 -53.4 54.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 55.4 mttt -60.31 -51.26 70.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -49.32 -38.47 27.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.598 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -72.65 -52.22 16.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.803 ' HB3' ' HB1' ' A' ' 132' ' ' ALA . 8.4 m-85 -51.11 -42.21 60.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.09 -20.63 60.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.431 HD22 ' HE2' ' A' ' 108' ' ' PHE . 0.3 OUTLIER -75.98 -53.2 8.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.351 179.933 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.761 ' HB1' ' CZ ' ' A' ' 109' ' ' PHE . . . -51.39 -27.13 9.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.408 ' HA ' ' CD2' ' A' ' 109' ' ' PHE . 1.0 OUTLIER -64.73 -54.98 23.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.427 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -52.15 -28.1 16.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.629 ' HD1' HG13 ' A' ' 78' ' ' VAL . 15.5 m-85 -81.87 -44.72 16.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.955 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.761 ' CZ ' ' HB1' ' A' ' 105' ' ' ALA . 23.4 m-30 -54.09 -38.03 64.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 111.02 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -57.95 -26.52 62.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.333 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.911 ' HB2' HG11 ' A' ' 78' ' ' VAL . 17.6 mt-30 -81.09 -44.09 18.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.281 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.15 -53.59 56.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.253 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.734 HG12 ' HB3' ' A' ' 122' ' ' TYR . 15.2 m -62.42 -35.47 69.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.25 -52.52 9.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.342 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -63.07 -44.06 96.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.418 ' O ' ' CG ' ' A' ' 116' ' ' GLN . 1.6 tt0 -156.03 91.46 2.67 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.472 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.2 Cg_endo -74.98 -4.53 15.55 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.484 1.781 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -86.26 0.56 53.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.268 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -75.48 117.54 17.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 81.4 p -57.05 -36.12 70.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.422 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 6.0 m80 -64.03 -59.37 4.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.609 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.734 ' HB3' HG12 ' A' ' 113' ' ' VAL . 10.5 m-30 -54.32 -32.64 57.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.998 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.916 ' O ' HD22 ' A' ' 123' ' ' LEU . 0.0 OUTLIER -63.0 -49.72 73.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.713 ' N ' HD13 ' A' ' 123' ' ' LEU . 3.3 tptt -61.99 -43.07 99.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.47 -39.92 81.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.967 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.467 ' O ' HG23 ' A' ' 129' ' ' THR . 5.7 tp -73.23 -56.06 5.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -54.1 -31.42 51.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.241 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 19.7 mmm -58.56 -32.14 68.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.951 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.578 ' HA ' ' HB2' ' A' ' 132' ' ' ALA . 17.8 p -68.24 -30.33 69.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 110.386 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -42.11 -40.62 2.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.87 46.12 2.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.803 ' HB1' ' HB3' ' A' ' 102' ' ' PHE . . . -63.8 -50.07 72.78 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' PRO . . . . . 0.721 ' HD3' ' HB3' ' A' ' 132' ' ' ALA . 18.3 Cg_endo -75.0 -25.09 12.2 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.488 1.783 . . . . 0.0 111.019 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' GLN . . . . . 0.469 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 30.7 mm-40 -80.37 -49.95 10.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.684 ' O ' ' HB2' ' A' ' 139' ' ' ALA . 20.7 mt -49.92 -41.25 45.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' HIS . . . . . 0.55 ' CD2' ' CE1' ' A' ' 140' ' ' TYR . 51.9 t-80 -68.33 -44.45 75.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.66 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.525 ' O ' ' CB ' ' A' ' 141' ' ' LYS . . . -61.87 -52.3 64.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.469 ' CG ' ' O ' ' A' ' 134' ' ' GLN . 0.0 OUTLIER -68.52 -27.69 66.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.582 1.176 . . . . 0.0 110.274 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.684 ' HB2' ' O ' ' A' ' 135' ' ' LEU . . . -66.57 -50.39 63.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 140' ' ' TYR . . . . . 0.55 ' CE1' ' CD2' ' A' ' 136' ' ' HIS . 5.5 m-85 -81.52 -32.59 32.27 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.479 1.112 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.525 ' CB ' ' O ' ' A' ' 137' ' ' ALA . 0.2 OUTLIER -67.14 -46.9 72.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.25 104.57 11.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.283 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.451 ' O ' HD12 ' A' ' 144' ' ' LEU . . . 173.8 -105.69 0.21 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.527 1.142 . . . . 0.0 111.025 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.451 HD12 ' O ' ' A' ' 143' ' ' GLY . 0.1 OUTLIER -154.16 86.37 1.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 0.779 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -118.28 -109.08 2.42 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.569 1.168 . . . . 0.0 111.036 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -155.88 -108.08 0.28 Allowed Glycine 0 CA--C 1.53 0.978 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 92.0 p -41.52 157.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 0.751 . . . . 0.0 110.024 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 14.2 t-160 -103.76 -64.68 1.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 109.604 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -178.08 177.14 1.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.626 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -133.68 76.71 1.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.624 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -163.76 173.62 12.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.596 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -128.75 173.76 10.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.597 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.567 -179.939 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 95.04 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.529 1.805 . . . . 0.0 111.006 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -2' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' -2' ' ' LEU . 5.7 mt -151.36 102.51 2.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -173.1 -104.09 0.17 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.534 1.146 . . . . 0.0 111.027 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 40.8 m -76.75 -21.42 55.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 0.741 . . . . 0.0 109.996 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 63.62 144.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.2 t0 74.23 51.19 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 16.4 p -102.4 -175.92 2.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.405 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -156.96 131.8 8.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.591 ' O ' ' CG ' ' A' ' 6' ' ' GLU . 87.3 m -145.74 18.09 1.46 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.11 . . . . 0.0 110.428 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.591 ' CG ' ' O ' ' A' ' 5' ' ' THR . 0.0 OUTLIER 89.33 -23.86 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 110.267 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.445 ' N ' ' HG3' ' A' ' 6' ' ' GLU . 22.0 m-85 -63.14 -55.32 26.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.433 1.083 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -48.66 -39.39 24.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.323 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -34.75 78.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 110.288 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.709 HG23 ' CD2' ' A' ' 44' ' ' LEU . 21.7 mt -65.73 -40.59 88.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.513 HD23 ' N ' ' A' ' 11' ' ' LEU . 4.7 mt -59.05 -43.16 91.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.877 HD12 HD12 ' A' ' 16' ' ' ILE . 0.2 OUTLIER -57.71 -49.88 75.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.646 ' HD1' HG23 ' A' ' 40' ' ' VAL . 14.5 m-85 -64.03 -27.02 68.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.967 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -67.55 -59.86 3.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.256 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.477 ' HG3' ' N ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -51.78 -28.07 14.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.088 . . . . 0.0 110.308 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.877 HD12 HD12 ' A' ' 12' ' ' LEU . 8.2 mt -71.8 -52.94 22.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.447 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 11.6 ttp180 -49.16 -59.33 3.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 110.339 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.424 ' HG3' ' O ' ' A' ' 15' ' ' GLN . 0.3 OUTLIER -53.5 -39.84 64.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.276 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.469 ' O ' ' CB ' ' A' ' 23' ' ' THR . 0.2 OUTLIER -64.98 -31.73 73.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.27 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.774 ' HB1' ' CG ' ' A' ' 37' ' ' TRP . . . -67.11 -46.0 75.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.65 ' HG2' ' CZ2' ' A' ' 37' ' ' TRP . 1.9 mt-10 -62.55 -41.06 98.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.285 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -75.63 -40.47 56.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.266 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.532 HG21 ' CG ' ' A' ' 33' ' ' ASN . 2.7 m -59.92 -23.08 63.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.391 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.446 ' O ' ' CD ' ' A' ' 28' ' ' PRO . 0.1 OUTLIER -55.68 -60.59 3.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 111.036 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.59 -29.15 70.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.6 t -70.74 -39.69 73.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.987 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.407 ' N ' ' O ' ' A' ' 23' ' ' THR . 0.7 OUTLIER -169.24 86.12 0.62 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.446 ' CD ' ' O ' ' A' ' 24' ' ' TYR . 18.2 Cg_endo -75.07 0.61 8.73 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.489 1.784 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.812 ' O ' HG21 ' A' ' 70' ' ' ILE . 15.5 mt -97.21 -10.83 25.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.255 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.491 ' O ' ' CB ' ' A' ' 34' ' ' LEU . 0.8 OUTLIER -68.48 99.55 0.98 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.671 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . . . -70.25 -33.95 72.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -64.03 -55.87 19.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.532 ' CG ' HG21 ' A' ' 23' ' ' THR . 0.3 OUTLIER -67.68 -35.21 78.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 109.319 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.913 HD21 ' HB3' ' A' ' 66' ' ' GLU . 0.3 OUTLIER -64.65 -54.78 26.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.5 m -57.73 -45.67 85.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.392 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.62 -27.06 57.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.347 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.774 ' CG ' ' HB1' ' A' ' 20' ' ' ALA . 5.6 t90 -59.96 -26.65 66.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 108.017 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.585 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -85.16 -61.26 1.75 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.579 1.175 . . . . 0.0 110.982 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -37.53 -44.23 1.22 Allowed Glycine 0 CA--C 1.529 0.953 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.646 HG23 ' HD1' ' A' ' 13' ' ' PHE . 4.8 p -67.5 -50.92 57.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.467 0.745 . . . . 0.0 109.263 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.55 HD13 ' CG ' ' A' ' 59' ' ' GLU . 38.4 mt -49.13 -43.47 41.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.571 HD13 ' OD1' ' A' ' 83' ' ' ASN . 25.8 mt -63.93 -36.94 85.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -65.68 -59.2 4.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.272 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.709 ' CD2' HG23 ' A' ' 10' ' ' ILE . 16.4 mt -62.08 -25.74 67.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.77 -42.71 68.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.031 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -58.22 -36.47 73.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.707 ' CE2' ' CE1' ' A' ' 48' ' ' HIS . 0.0 OUTLIER -80.47 -33.1 36.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.994 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.707 ' CE1' ' CE2' ' A' ' 47' ' ' PHE . 3.2 m80 -80.42 137.05 36.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.621 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.9 m -47.43 154.33 0.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.028 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.942 ' CG1' HD22 ' A' ' 91' ' ' LEU . 0.2 OUTLIER -51.78 -47.54 39.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 28.3 t -44.82 -56.32 4.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.997 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.0 -39.14 66.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.562 ' HB3' ' HA ' ' A' ' 50' ' ' ILE . . . -46.65 -54.26 9.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.113 . . . . 0.0 109.245 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.06 -58.17 6.08 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -54.09 -42.93 69.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 86.2 mtp -63.26 -32.28 73.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.966 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.943 HG21 ' HB2' ' A' ' 88' ' ' PHE . 18.9 mt -72.76 -49.28 41.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 109.323 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.523 ' O ' HG23 ' A' ' 62' ' ' THR . 5.3 mt-30 -48.21 -53.9 15.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.36 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.55 ' CG ' HD13 ' A' ' 41' ' ' LEU . 3.4 pt-20 -63.12 -35.56 80.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 110.265 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.4 ' O ' ' CD2' ' A' ' 64' ' ' PHE . . . -59.65 -28.88 67.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.25 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.566 HG12 ' CE1' ' A' ' 85' ' ' TYR . 0.7 OUTLIER -78.05 -55.37 10.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.523 HG23 ' O ' ' A' ' 58' ' ' GLN . 50.6 p -50.56 -27.82 7.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.405 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.441 ' HG3' ' CD1' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -71.9 -47.92 49.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.585 ' CE1' ' HA3' ' A' ' 38' ' ' GLY . 22.8 m-85 -58.55 -43.54 89.34 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 111.023 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -48.96 -55.22 12.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 110.316 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.913 ' HB3' HD21 ' A' ' 34' ' ' LEU . 2.9 tp10 -60.39 -45.68 92.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.314 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.863 ' HB2' ' HG ' ' A' ' 34' ' ' LEU . . . -55.52 -44.79 76.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.588 HD21 HG23 ' A' ' 78' ' ' VAL . 6.5 mt -64.1 -33.21 75.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.75 -27.41 69.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.812 HG21 ' O ' ' A' ' 29' ' ' LEU . 4.4 mt -80.05 -39.8 19.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -155.4 114.58 2.28 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -5.0 16.22 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.539 1.81 . . . . 0.0 110.992 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 75' ' ' ASP . 0.9 OUTLIER -82.51 -6.94 59.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.2 tptp -66.93 73.27 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 109.356 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' A' ' 75' ' ' ASP . 0.7 OUTLIER -52.16 -34.11 43.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.427 ' HG3' ' CE3' ' A' ' 79' ' ' TRP . 40.0 tt0 -64.11 -49.24 72.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.306 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.52 -32.31 39.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.963 HG11 ' HB2' ' A' ' 111' ' ' GLN . 28.5 t -74.49 -52.63 19.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.427 ' CE3' ' HG3' ' A' ' 76' ' ' GLU . 0.5 OUTLIER -59.11 -48.24 82.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 108.01 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.578 ' HB3' ' CZ ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -50.74 -51.92 45.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 108.316 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.572 HG21 ' CZ ' ' A' ' 108' ' ' PHE . 41.5 mt -51.97 -45.17 40.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.353 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -66.62 -41.21 94.11 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.571 ' OD1' HD13 ' A' ' 42' ' ' LEU . 16.6 t-20 -64.4 -37.46 87.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 0.738 . . . . 0.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.56 ' HB1' HG23 ' A' ' 57' ' ' ILE . . . -62.6 -55.18 29.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.566 ' CE1' HG12 ' A' ' 61' ' ' ILE . 21.3 m-30 -57.18 -42.34 80.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.168 . . . . 0.0 110.994 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.681 HG23 ' CE1' ' A' ' 102' ' ' PHE . 41.7 m -59.26 -51.93 67.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 110.445 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.0 m -61.63 -50.6 71.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.967 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.943 ' HB2' HG21 ' A' ' 57' ' ' ILE . 41.0 t80 -55.31 -30.98 61.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 111.029 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 86' ' ' THR . . . -64.08 -48.91 74.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.44 ' O ' ' CE1' ' A' ' 140' ' ' TYR . 35.0 m-85 -54.74 -25.99 31.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.942 HD22 ' CG1' ' A' ' 50' ' ' ILE . 7.7 mt -89.25 -18.75 26.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.236 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.2 m -93.92 118.64 67.31 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.37 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.558 ' HA ' ' CE2' ' A' ' 140' ' ' TYR . 18.2 Cg_endo -75.01 -27.46 9.97 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.513 1.796 . . . . 0.0 111.009 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 95' ' ' GLU . 13.8 m-20 -59.36 85.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 93' ' ' PRO . 43.1 mt-10 -38.81 -47.68 1.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.337 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.505 HG23 ' N ' ' A' ' 97' ' ' GLU . 14.0 t -52.86 -53.48 48.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 110.391 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.505 ' N ' HG23 ' A' ' 96' ' ' THR . 1.8 mt-10 -66.96 -49.6 64.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.253 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -53.95 -53.16 56.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.44 -49.82 76.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.2 -43.54 61.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.617 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -64.09 -54.02 40.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.897 ' HB3' ' HB1' ' A' ' 132' ' ' ALA . 5.4 m-85 -51.65 -41.85 61.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.1 . . . . 0.0 110.981 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -73.01 -19.61 61.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.485 HD23 ' HG2' ' A' ' 107' ' ' GLN . 0.0 OUTLIER -78.69 -47.51 16.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.939 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.692 ' HB1' ' CZ ' ' A' ' 109' ' ' PHE . . . -59.09 -23.96 62.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.454 ' HA ' ' CD2' ' A' ' 109' ' ' PHE . 2.2 m -61.67 -55.19 33.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.388 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.485 ' HG2' HD23 ' A' ' 104' ' ' LEU . 0.0 OUTLIER -55.35 -23.9 26.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 110.305 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.758 ' HD1' HG13 ' A' ' 78' ' ' VAL . 8.3 m-85 -83.01 -44.93 14.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.164 . . . . 0.0 110.964 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.692 ' CZ ' ' HB1' ' A' ' 105' ' ' ALA . 21.0 m-30 -54.08 -30.09 47.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 110.996 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.93 -35.27 76.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.142 . . . . 0.0 110.327 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.963 ' HB2' HG11 ' A' ' 78' ' ' VAL . 33.9 mt-30 -77.0 -37.51 54.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 110.325 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.493 ' O ' ' CD2' ' A' ' 122' ' ' TYR . . . -62.61 -53.16 58.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.873 HG12 ' HB3' ' A' ' 122' ' ' TYR . 5.0 m -69.79 -36.16 68.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.402 ' OD1' ' OE2' ' A' ' 115' ' ' GLU . 0.0 OUTLIER -44.62 -44.41 8.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.407 ' O ' ' OE1' ' A' ' 116' ' ' GLN . 60.7 mm-40 -75.1 -43.64 51.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 110.312 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.407 ' OE1' ' O ' ' A' ' 115' ' ' GLU . 13.6 mm100 -142.51 83.84 11.6 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.296 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.478 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.5 Cg_endo -74.96 -2.72 12.91 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.514 1.797 . . . . 0.0 111.046 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -97.42 -12.06 23.16 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -65.49 127.63 32.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 53.1 p -57.11 -54.26 48.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 110.381 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 7.2 m80 -50.57 -58.61 5.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.623 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.873 ' HB3' HG12 ' A' ' 113' ' ' VAL . 9.6 m-30 -55.68 -25.58 40.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 111.087 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.872 ' O ' HD22 ' A' ' 123' ' ' LEU . 0.0 OUTLIER -75.43 -51.72 12.41 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.76 ' N ' HD13 ' A' ' 123' ' ' LEU . 0.0 OUTLIER -60.89 -45.05 96.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.87 -36.18 72.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.036 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 45.9 tp -73.21 -44.96 58.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -67.52 -33.8 75.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 110.323 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' MET . . . . . 0.413 ' N ' ' O ' ' A' ' 124' ' ' LYS . 0.0 OUTLIER -50.3 -30.42 11.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.606 ' HA ' ' HB2' ' A' ' 132' ' ' ALA . 29.9 p -67.91 -29.6 68.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.408 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -48.51 -37.08 16.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 10.4 mttm -124.32 42.63 3.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.897 ' HB1' ' HB3' ' A' ' 102' ' ' PHE . . . -63.16 -54.35 46.29 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' PRO . . . . . 0.855 ' HD3' ' HB3' ' A' ' 132' ' ' ALA . 18.4 Cg_endo -74.96 -22.72 14.59 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.515 1.797 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' GLN . . . . . 0.47 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 5.4 tp-100 -80.26 -51.74 8.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.331 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.698 ' O ' ' HB2' ' A' ' 139' ' ' ALA . 45.1 mt -48.93 -41.44 33.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' HIS . . . . . 0.482 ' CD2' ' CE1' ' A' ' 140' ' ' TYR . 43.9 t-80 -68.72 -44.48 73.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.592 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.524 ' O ' ' CB ' ' A' ' 141' ' ' LYS . . . -61.9 -52.09 65.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.47 ' CG ' ' O ' ' A' ' 134' ' ' GLN . 0.0 OUTLIER -68.69 -27.38 65.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.318 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.698 ' HB2' ' O ' ' A' ' 135' ' ' LEU . . . -65.9 -50.07 65.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 140' ' ' TYR . . . . . 0.558 ' CE2' ' HA ' ' A' ' 93' ' ' PRO . 5.6 m-85 -82.77 -32.29 27.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.957 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.524 ' CB ' ' O ' ' A' ' 137' ' ' ALA . 0.0 OUTLIER -68.16 -48.1 66.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -85.63 131.14 34.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.284 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -82.5 -110.89 0.45 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 3.6 tt 74.16 -59.55 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 0.0 109.324 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -41.64 -69.72 0.52 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 172.35 -110.31 0.34 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 67.55 131.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 0.769 . . . . 0.0 109.975 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 58.66 87.77 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.629 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 32.3 m80 60.49 159.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.575 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 71.4 m80 -120.58 -65.45 1.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.608 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 74.5 m80 -138.24 -64.37 0.53 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.602 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -97.2 132.07 43.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.637 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 42.6 t-80 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.567 -179.953 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 120.62 6.14 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.467 1.772 . . . . 0.0 110.998 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -156.61 -66.24 0.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 130.48 79.37 0.2 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.459 1.099 . . . . 0.0 111.033 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 22.3 p -79.39 -36.97 38.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 0.755 . . . . 0.0 110.029 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.6 mtt -80.39 130.44 35.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 111.013 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 59.28 179.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.9 p -90.26 -25.6 20.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.381 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 61.83 135.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 110.303 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 27.2 m -158.98 -60.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.422 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -169.97 -48.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.312 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.624 ' HA ' HD12 ' A' ' 10' ' ' ILE . 19.1 m-85 -46.23 -55.61 6.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 111.031 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -49.1 -43.85 41.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.487 ' HG2' ' CE2' ' A' ' 13' ' ' PHE . 13.7 ttm105 -70.69 -35.67 72.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.675 HG23 ' CD2' ' A' ' 44' ' ' LEU . 40.5 mt -59.83 -42.46 89.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.406 ' N ' HD23 ' A' ' 11' ' ' LEU . 7.4 mt -53.62 -33.03 53.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.879 HD12 HD12 ' A' ' 16' ' ' ILE . 0.2 OUTLIER -72.84 -47.65 44.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.614 ' HD1' HG23 ' A' ' 40' ' ' VAL . 11.1 m-85 -63.88 -38.16 90.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.961 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.514 ' HG2' HD21 ' A' ' 44' ' ' LEU . 4.3 mm-40 -56.94 -60.14 4.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.458 ' CG ' ' O ' ' A' ' 12' ' ' LEU . 9.3 pt20 -50.44 -32.7 18.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 110.321 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.879 HD12 HD12 ' A' ' 12' ' ' LEU . 19.5 mt -71.37 -53.43 21.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.517 ' O ' ' CB ' ' A' ' 21' ' ' GLU . 9.6 ttp180 -56.32 -37.94 70.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.34 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.407 ' HB2' HH21 ' A' ' 17' ' ' ARG . 12.7 tp60 -67.62 -48.81 65.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 110.292 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.502 ' O ' ' CB ' ' A' ' 23' ' ' THR . 0.5 OUTLIER -67.44 -43.3 81.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.798 ' HB1' ' HB2' ' A' ' 37' ' ' TRP . . . -66.85 -51.48 55.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.556 ' HG3' ' CZ2' ' A' ' 37' ' ' TRP . 17.9 tt0 -61.05 -41.52 96.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.313 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -75.5 -26.01 57.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.502 ' CB ' ' O ' ' A' ' 19' ' ' ASP . 1.1 m -66.19 -24.59 66.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.377 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -52.72 -60.46 3.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.948 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.17 -27.9 69.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.06 -38.24 72.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.005 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 23' ' ' THR . 0.4 OUTLIER -169.38 91.8 0.56 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 109.336 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 0.6 8.69 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.512 1.796 . . . . 0.0 110.982 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.87 ' O ' HG21 ' A' ' 70' ' ' ILE . 7.8 mt -88.53 -30.28 19.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.16 99.13 0.25 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.343 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.821 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . . . -72.81 -37.71 67.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -50.88 -54.77 21.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.427 ' CG ' HG21 ' A' ' 23' ' ' THR . 0.8 OUTLIER -66.18 -37.11 84.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.705 ' HB3' ' HB2' ' A' ' 67' ' ' ALA . 0.5 OUTLIER -57.76 -56.21 24.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.458 ' OG1' ' HB2' ' A' ' 77' ' ' ALA . 1.7 m -58.83 -36.91 75.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.374 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.47 -27.24 64.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.798 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . 13.0 t90 -67.54 -26.95 66.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 107.96 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.576 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -83.53 -58.06 2.35 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.547 1.154 . . . . 0.0 110.975 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 38' ' ' GLY . . . -37.69 -45.73 1.51 Allowed Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.614 HG23 ' HD1' ' A' ' 13' ' ' PHE . 0.8 OUTLIER -67.32 -46.83 82.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 0.748 . . . . 0.0 109.297 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.548 HD11 ' OE2' ' A' ' 59' ' ' GLU . 12.5 mt -48.74 -44.3 38.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 14.0 mt -65.5 -38.2 89.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.4 ' HA ' ' OE1' ' A' ' 43' ' ' GLU . 5.1 mm-40 -65.86 -58.51 5.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.262 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.675 ' CD2' HG23 ' A' ' 10' ' ' ILE . 3.3 mt -61.86 -26.43 68.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.6 m -58.46 -36.16 73.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.0 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.46 ' HG2' ' N ' ' A' ' 47' ' ' PHE . 4.7 pt20 -67.95 -37.0 81.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.33 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.46 ' N ' ' HG2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -80.65 -19.33 45.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.978 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -78.78 -92.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.582 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.1 t 172.04 148.83 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.967 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.947 ' CG1' HD22 ' A' ' 91' ' ' LEU . 0.1 OUTLIER -45.57 -50.37 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.526 ' HA ' ' CE ' ' A' ' 54' ' ' LYS . 41.1 t -43.45 -56.33 3.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.992 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -77.47 -43.57 31.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.636 ' HB3' ' HA ' ' A' ' 50' ' ' ILE . . . -45.43 -51.32 11.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.526 ' CE ' ' HA ' ' A' ' 51' ' ' SER . 6.0 mtmp? -48.75 -46.08 40.62 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 109.236 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -73.79 -50.62 19.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 110.284 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 98.2 mtp -53.63 -29.73 39.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 111.02 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.865 HG21 ' HB2' ' A' ' 88' ' ' PHE . 20.3 mt -72.73 -50.75 31.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.548 ' O ' HG23 ' A' ' 62' ' ' THR . 6.3 mt-30 -45.45 -54.82 6.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.149 . . . . 0.0 110.272 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.548 ' OE2' HD11 ' A' ' 41' ' ' LEU . 3.9 pt-20 -64.79 -36.53 84.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 110.276 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.426 ' O ' ' CD2' ' A' ' 64' ' ' PHE . . . -59.53 -28.74 67.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.417 HG22 ' N ' ' A' ' 62' ' ' THR . 0.6 OUTLIER -81.13 -56.26 6.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.288 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.548 HG23 ' O ' ' A' ' 58' ' ' GLN . 70.3 p -49.78 -25.94 3.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.414 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.671 ' O ' HD22 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -73.78 -48.77 29.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.576 ' CE1' ' HA3' ' A' ' 38' ' ' GLY . 22.4 m-85 -56.52 -44.22 80.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -50.78 -55.42 16.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.311 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.451 ' HA ' HD12 ' A' ' 69' ' ' LEU . 1.5 tp10 -56.43 -36.77 69.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.577 1.173 . . . . 0.0 110.301 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.726 ' HA ' HD12 ' A' ' 70' ' ' ILE . . . -64.81 -46.51 81.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.813 HD21 HG23 ' A' ' 78' ' ' VAL . 16.3 mt -57.48 -32.86 67.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.451 HD12 ' HA ' ' A' ' 66' ' ' GLU . 0.7 OUTLIER -64.69 -33.73 76.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.137 . . . . 0.0 109.341 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.87 HG21 ' O ' ' A' ' 29' ' ' LEU . 6.3 mt -74.78 -44.08 46.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -151.8 112.29 2.93 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.128 . . . . 0.0 109.297 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -7.43 19.11 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.485 1.782 . . . . 0.0 110.984 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 75' ' ' ASP . 1.3 mttt -82.81 -7.21 59.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.407 ' HB3' ' HB3' ' A' ' 77' ' ' ALA . 2.3 tptt -65.72 74.9 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.4 OUTLIER -51.9 -28.48 16.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.254 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.509 ' HG3' ' CE3' ' A' ' 79' ' ' TRP . 25.4 tt0 -68.7 -51.24 43.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.449 1.093 . . . . 0.0 110.301 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.458 ' HB2' ' OG1' ' A' ' 35' ' ' THR . . . -52.26 -32.28 36.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.333 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.965 HG11 ' HB2' ' A' ' 111' ' ' GLN . 19.1 t -74.68 -52.71 18.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.509 ' CE3' ' HG3' ' A' ' 76' ' ' GLU . 0.4 OUTLIER -59.26 -46.08 89.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 108.022 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.561 ' HB3' ' CZ ' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -50.06 -52.63 32.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 108.306 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.697 HG21 ' CZ ' ' A' ' 108' ' ' PHE . 66.8 mt -51.99 -37.21 21.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.486 ' HA3' ' CE1' ' A' ' 109' ' ' PHE . . . -72.57 -43.02 45.82 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.524 1.14 . . . . 0.0 110.992 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -64.43 -34.45 78.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 0.775 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.496 ' HB1' HG23 ' A' ' 57' ' ' ILE . . . -69.83 -54.56 13.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.508 ' CE2' HD13 ' A' ' 104' ' ' LEU . 4.5 m-85 -57.89 -46.55 84.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.977 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.476 HG23 ' CE1' ' A' ' 102' ' ' PHE . 53.1 m -55.83 -46.84 78.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 110.368 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 39.2 m -66.7 -51.62 53.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 110.018 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.865 ' HB2' HG21 ' A' ' 57' ' ' ILE . 30.6 t80 -53.74 -34.01 57.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.58 -50.39 73.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -56.09 -25.25 44.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.947 HD22 ' CG1' ' A' ' 50' ' ' ILE . 0.6 OUTLIER -92.16 16.99 10.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.323 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.477 HG22 ' HB2' ' A' ' 98' ' ' ALA . 0.9 OUTLIER -133.88 118.17 14.22 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.398 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.502 ' HA ' ' CE2' ' A' ' 140' ' ' TYR . 18.3 Cg_endo -75.02 -24.96 12.28 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.479 1.778 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.87 85.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 93' ' ' PRO . 92.4 mt-10 -39.16 -47.61 1.62 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.291 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.487 HG23 ' N ' ' A' ' 97' ' ' GLU . 15.2 t -52.81 -52.83 55.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 110.402 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.487 ' N ' HG23 ' A' ' 96' ' ' THR . 3.4 mt-10 -68.49 -49.03 62.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.289 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.477 ' HB2' HG22 ' A' ' 92' ' ' THR . . . -53.75 -52.98 58.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.248 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.1 tttm -60.26 -51.88 67.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -49.52 -43.65 45.72 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.098 . . . . 0.0 109.652 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -62.95 -56.63 15.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.848 ' HB3' ' HB1' ' A' ' 132' ' ' ALA . 8.6 m-85 -50.98 -41.46 59.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 111.01 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -72.53 -20.5 61.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.508 HD13 ' CE2' ' A' ' 85' ' ' TYR . 0.0 OUTLIER -77.13 -48.32 18.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.682 ' HB1' ' CZ ' ' A' ' 109' ' ' PHE . . . -59.97 -24.33 64.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.7 m -63.22 -54.79 31.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.137 . . . . 0.0 110.447 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.427 ' HG2' HD23 ' A' ' 104' ' ' LEU . 0.7 OUTLIER -56.87 -23.01 41.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.246 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.697 ' CZ ' HG21 ' A' ' 81' ' ' ILE . 13.7 m-85 -82.24 -47.93 11.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.682 ' CZ ' ' HB1' ' A' ' 105' ' ' ALA . 21.2 m-85 -53.83 -37.04 63.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 0.0 110.991 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -56.04 -29.6 60.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.29 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.965 ' HB2' HG11 ' A' ' 78' ' ' VAL . 38.2 mt-30 -80.79 -43.19 20.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 110.307 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.69 -44.34 97.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.769 HG12 ' HB3' ' A' ' 122' ' ' TYR . 5.7 m -71.63 -37.64 64.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.81 -49.09 15.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.341 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -64.71 -40.94 96.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 110.246 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -160.06 90.69 1.78 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 110.304 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.465 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.0 Cg_endo -75.07 -3.53 14.05 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.512 1.796 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -88.44 -2.55 58.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -74.1 116.82 15.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 66.5 p -58.2 -23.79 56.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 110.383 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 3.0 m80 -71.61 -59.13 2.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.589 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.769 ' HB3' HG12 ' A' ' 113' ' ' VAL . 7.2 m-30 -60.88 -35.17 75.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 111.017 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.92 ' O ' HD22 ' A' ' 123' ' ' LEU . 0.0 OUTLIER -55.48 -46.03 76.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.784 ' N ' HD13 ' A' ' 123' ' ' LEU . 1.7 tptm -63.36 -41.08 98.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.528 ' O ' HG23 ' A' ' 129' ' ' THR . 0.6 OUTLIER -58.63 -40.34 83.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.962 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 16.6 tp -72.59 -42.89 64.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.258 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.81 -32.91 74.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.32 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 31.1 mmm -58.72 -32.8 69.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.683 ' HA ' ' HB2' ' A' ' 132' ' ' ALA . 15.8 p -68.62 -33.71 74.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.385 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -42.06 -39.86 2.08 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -125.29 44.87 2.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.848 ' HB1' ' HB3' ' A' ' 102' ' ' PHE . . . -64.24 -51.14 63.77 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' PRO . . . . . 0.753 ' HD3' ' HB3' ' A' ' 132' ' ' ALA . 18.4 Cg_endo -75.01 -25.06 12.2 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.457 1.767 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' GLN . . . . . 0.44 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 64.2 mm-40 -80.27 -50.78 9.73 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 110.292 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.708 ' O ' ' HB2' ' A' ' 139' ' ' ALA . 40.5 mt -48.98 -39.16 25.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' HIS . . . . . 0.638 ' CD2' ' CE1' ' A' ' 140' ' ' TYR . 48.3 t-80 -70.24 -44.74 67.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.569 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.522 ' O ' ' CB ' ' A' ' 141' ' ' LYS . . . -61.77 -51.77 66.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.466 ' CG ' ' HA ' ' A' ' 135' ' ' LEU . 0.1 OUTLIER -68.44 -27.58 66.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.292 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.708 ' HB2' ' O ' ' A' ' 135' ' ' LEU . . . -66.61 -50.3 63.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 140' ' ' TYR . . . . . 0.638 ' CE1' ' CD2' ' A' ' 136' ' ' HIS . 5.2 m-85 -81.5 -35.5 30.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 110.962 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.522 ' CB ' ' O ' ' A' ' 137' ' ' ALA . 0.1 OUTLIER -62.29 -47.63 83.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -85.34 123.27 30.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.288 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -125.37 64.88 0.56 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.465 1.103 . . . . 0.0 110.988 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 4.4 mt -148.84 -62.09 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 0.772 . . . . 0.0 109.312 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 61.53 114.84 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.536 1.148 . . . . 0.0 111.016 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -97.42 -177.86 34.21 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 149' ' ' HIS . 0.4 OUTLIER -169.15 174.76 6.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 0.781 . . . . 0.0 110.008 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 65.29 -76.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.585 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' HIS . . . . . 0.429 ' N ' ' O ' ' A' ' 147' ' ' SER . 54.3 m-70 -87.0 120.11 27.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.586 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 150' ' ' HIS . . . . . 0.416 ' O ' ' CG ' ' A' ' 150' ' ' HIS . 0.0 OUTLIER -95.04 65.75 2.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.615 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -63.79 173.93 1.6 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.572 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 -140.9 142.14 34.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.169 . . . . 0.0 109.546 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.633 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -57.68 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.508 1.794 . . . . 0.0 110.987 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 41.25 86.8 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -152.42 -151.78 5.76 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.514 1.134 . . . . 0.0 111.037 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.05 -27.34 33.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 0.766 . . . . 0.0 110.008 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER 58.88 98.87 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.466 1.104 . . . . 0.0 110.993 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -68.03 178.12 1.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.52 163.29 25.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 110.404 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.96 143.2 43.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 110.284 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.535 ' O ' ' CB ' ' A' ' 6' ' ' GLU . 2.1 p -145.61 -56.46 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.443 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.863 ' OE2' HD11 ' A' ' 10' ' ' ILE . 0.0 OUTLIER 89.51 -24.78 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.16 . . . . 0.0 110.247 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.457 ' HA ' HD12 ' A' ' 10' ' ' ILE . 24.6 m-85 -64.08 -54.22 37.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 111.029 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -47.77 -32.87 6.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.457 ' CG ' ' CE2' ' A' ' 13' ' ' PHE . 9.9 ttm180 -75.9 -33.2 59.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.305 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.863 HD11 ' OE2' ' A' ' 6' ' ' GLU . 72.4 mt -59.09 -44.71 92.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 0.0 109.339 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.51 HD23 ' N ' ' A' ' 11' ' ' LEU . 5.2 mt -55.24 -40.33 70.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.579 ' CD1' HD11 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -61.85 -49.15 77.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.51 ' HD1' HG23 ' A' ' 40' ' ' VAL . 11.3 m-85 -63.79 -26.81 68.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -66.24 -53.26 39.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 110.292 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.523 ' HG3' ' N ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -57.75 -29.81 65.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.266 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.579 HD11 ' CD1' ' A' ' 12' ' ' LEU . 55.9 mt -71.63 -50.76 37.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.0 ttm180 -50.67 -47.17 58.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.268 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.436 ' HG3' ' N ' ' A' ' 19' ' ' ASP . 19.0 pt20 -67.25 -43.86 80.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.329 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.46 ' O ' ' CB ' ' A' ' 23' ' ' THR . 0.2 OUTLIER -64.62 -40.39 95.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.952 ' HB1' ' HB2' ' A' ' 37' ' ' TRP . . . -73.52 -51.46 16.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.578 ' HG3' ' CZ2' ' A' ' 37' ' ' TRP . 16.1 tt0 -58.94 -45.59 90.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 110.347 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 21.0 t30 -66.0 -52.15 51.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.266 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.46 ' CB ' ' O ' ' A' ' 19' ' ' ASP . 16.3 m -53.58 -23.84 12.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.4 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.429 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 6.0 t80 -52.46 -56.93 11.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.69 -32.36 70.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.352 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.48 -21.28 62.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.029 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 23' ' ' THR . 1.8 m120 -169.66 82.58 0.63 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -1.75 11.63 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.52 1.8 . . . . 0.0 111.036 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.721 ' O ' HG21 ' A' ' 70' ' ' ILE . 9.3 mt -100.47 8.43 43.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -90.49 98.74 11.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.692 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . . . -69.7 -24.3 63.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.243 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -72.97 -49.71 27.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.425 ' OD1' ' HA ' ' A' ' 20' ' ' ALA . 7.8 t-20 -64.35 -38.02 89.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.796 ' HB3' ' HB2' ' A' ' 67' ' ' ALA . 0.7 OUTLIER -64.01 -48.69 75.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.411 HG21 ' HB3' ' A' ' 76' ' ' GLU . 62.4 m -60.35 -39.37 86.91 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.51 1.131 . . . . 0.0 110.415 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.3 ttm180 -70.48 -47.2 61.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.301 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.952 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . 14.3 t90 -50.08 -27.12 5.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 107.993 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.579 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -84.9 -58.2 2.16 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.515 1.135 . . . . 0.0 110.994 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -40.22 -43.95 2.82 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.51 HG23 ' HD1' ' A' ' 13' ' ' PHE . 1.0 OUTLIER -67.37 -48.1 78.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.498 0.763 . . . . 0.0 109.341 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.488 HD22 ' SD ' ' A' ' 56' ' ' MET . 14.0 mt -48.22 -42.84 31.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.6 mt -65.53 -37.94 88.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -65.69 -58.89 4.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.276 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.628 ' CD2' HG23 ' A' ' 10' ' ' ILE . 7.6 mt -61.99 -25.37 67.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.89 -37.59 85.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.981 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.464 ' HG2' ' N ' ' A' ' 47' ' ' PHE . 5.2 pt20 -62.18 -37.06 83.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 110.32 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.723 ' CZ ' ' CE1' ' A' ' 48' ' ' HIS . 0.0 OUTLIER -80.73 -31.11 36.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.723 ' CE1' ' CZ ' ' A' ' 47' ' ' PHE . 14.0 m-70 -79.57 148.81 31.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.579 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 53' ' ' ALA . 49.1 m -51.37 158.71 0.8 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 110.04 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.903 ' CG1' HD22 ' A' ' 91' ' ' LEU . 0.2 OUTLIER -53.54 -48.67 58.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.277 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.8 -56.39 10.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 110.004 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.497 ' O ' ' CG ' ' A' ' 56' ' ' MET . 21.6 m-20 -69.1 -24.87 64.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.499 ' HB3' ' HA ' ' A' ' 50' ' ' ILE . . . -67.25 -48.7 66.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.484 ' CD ' HG23 ' A' ' 50' ' ' ILE . 0.3 OUTLIER -59.32 -58.71 7.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.264 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.42 ' HG2' ' O ' ' A' ' 52' ' ' ASP . 1.9 pt20 -53.9 -39.74 66.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 110.327 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.497 ' CG ' ' O ' ' A' ' 52' ' ' ASP . 8.0 mmm -70.49 -33.17 70.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 111.0 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.859 HG21 ' HB2' ' A' ' 88' ' ' PHE . 19.3 mt -72.97 -46.85 50.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.422 ' O ' HG23 ' A' ' 62' ' ' THR . 1.9 mt-30 -49.31 -54.95 14.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 110.322 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.541 ' HG3' ' HZ1' ' A' ' 63' ' ' LYS . 4.3 pt-20 -62.38 -34.73 77.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.274 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.453 ' N ' ' HG2' ' A' ' 59' ' ' GLU . . . -59.73 -30.01 68.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.346 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -79.56 -54.31 11.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.244 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.422 HG23 ' O ' ' A' ' 58' ' ' GLN . 72.2 p -49.93 -30.75 10.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 110.379 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.735 ' O ' HD22 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -69.46 -49.17 57.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.579 ' CE1' ' HA3' ' A' ' 38' ' ' GLY . 22.4 m-85 -56.17 -42.44 77.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -49.36 -55.3 13.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.108 . . . . 0.0 110.297 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.526 ' HA ' HD12 ' A' ' 69' ' ' LEU . 2.7 tp10 -60.2 -34.02 73.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 110.3 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.796 ' HB2' ' HB3' ' A' ' 34' ' ' LEU . . . -64.81 -44.77 88.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.556 HD21 HG23 ' A' ' 78' ' ' VAL . 12.7 mt -59.72 -28.77 67.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.526 HD12 ' HA ' ' A' ' 66' ' ' GLU . 0.8 OUTLIER -70.07 -33.98 72.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.721 HG21 ' O ' ' A' ' 29' ' ' LEU . 6.0 mt -74.5 -45.38 45.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -145.95 111.32 4.45 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -13.69 21.45 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.482 1.78 . . . . 0.0 110.994 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.5 ptmt -82.77 1.25 39.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.0 tptp -73.44 70.86 1.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.405 ' CG ' ' CB ' ' A' ' 115' ' ' GLU . 0.5 OUTLIER -51.59 -31.91 26.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 109.276 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.468 ' HG3' ' CE3' ' A' ' 79' ' ' TRP . 3.7 tp10 -62.97 -47.69 82.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.269 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.4 -33.02 58.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.967 HG11 ' HB2' ' A' ' 111' ' ' GLN . 41.5 t -74.63 -53.23 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.468 ' CE3' ' HG3' ' A' ' 76' ' ' GLU . 0.8 OUTLIER -58.54 -50.96 71.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 108.02 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.542 ' HG ' ' HZ ' ' A' ' 64' ' ' PHE . 0.5 OUTLIER -50.62 -50.47 54.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 108.318 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.842 HG21 ' CZ ' ' A' ' 108' ' ' PHE . 29.7 mt -51.93 -38.57 23.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -71.6 -38.52 61.49 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -64.63 -35.12 79.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 0.734 . . . . 0.0 109.305 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.57 ' HB1' HG23 ' A' ' 57' ' ' ILE . . . -68.61 -55.45 11.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.35 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.429 ' HB2' ' HB2' ' A' ' 105' ' ' ALA . 8.6 m-85 -55.89 -40.2 72.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 111.023 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 49.5 m -61.44 -52.25 65.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 110.4 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 32.7 t -60.75 -52.0 66.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.969 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.859 ' HB2' HG21 ' A' ' 57' ' ' ILE . 53.9 t80 -52.5 -34.19 48.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 111.008 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.492 ' HB2' ' HB3' ' A' ' 101' ' ' ASN . . . -63.97 -50.24 69.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.401 ' O ' ' OH ' ' A' ' 140' ' ' TYR . 30.7 m-85 -56.39 -17.62 8.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.903 HD22 ' CG1' ' A' ' 50' ' ' ILE . 34.1 mt -95.83 -19.07 19.89 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.496 1.122 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.435 HG22 ' HB2' ' A' ' 98' ' ' ALA . 0.9 OUTLIER -97.22 116.14 65.9 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.351 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.44 ' O ' ' N ' ' A' ' 95' ' ' GLU . 18.3 Cg_endo -74.97 -24.83 12.49 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.516 1.798 . . . . 0.0 110.977 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -59.06 86.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.275 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 93' ' ' PRO . 43.0 mt-10 -40.95 -47.53 3.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.312 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.429 ' CG2' ' N ' ' A' ' 97' ' ' GLU . 1.8 t -53.09 -46.53 68.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.374 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.429 ' N ' ' CG2' ' A' ' 96' ' ' THR . 5.5 mm-40 -75.87 -50.07 16.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.435 ' HB2' HG22 ' A' ' 92' ' ' THR . . . -54.27 -54.03 45.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.25 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.6 ttpt -53.22 -47.05 69.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -58.98 -45.66 90.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.597 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.492 ' HB3' ' HB2' ' A' ' 89' ' ' ALA . 1.4 t30 -61.03 -53.98 50.51 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.895 ' CD1' ' HB1' ' A' ' 132' ' ' ALA . 8.8 m-85 -50.71 -42.54 57.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.099 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.79 -20.95 59.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 104' ' ' LEU . 0.0 OUTLIER -73.52 -51.55 16.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.252 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.429 ' HB2' ' HB2' ' A' ' 85' ' ' TYR . . . -59.65 -24.82 64.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.337 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.6 m -64.97 -54.74 25.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.415 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.414 ' CG ' ' O ' ' A' ' 104' ' ' LEU . 1.2 pt20 -53.79 -23.43 12.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.842 ' CZ ' HG21 ' A' ' 81' ' ' ILE . 4.9 m-85 -82.48 -47.95 11.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 111.037 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.779 ' CD2' HG21 ' A' ' 129' ' ' THR . 13.1 m-85 -54.11 -25.58 22.73 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -67.21 -30.66 70.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 110.268 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.967 ' HB2' HG11 ' A' ' 78' ' ' VAL . 33.3 mt-30 -81.26 -35.11 31.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.328 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.2 -50.35 72.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.895 HG12 ' HB3' ' A' ' 122' ' ' TYR . 3.9 m -70.51 -39.86 76.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -45.15 -48.93 12.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.405 ' CB ' ' CG ' ' A' ' 75' ' ' ASP . 3.9 mm-40 -63.65 -44.29 94.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.442 ' O ' ' CG ' ' A' ' 116' ' ' GLN . 2.1 tt0 -156.16 89.24 2.81 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.293 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.463 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.3 Cg_endo -74.96 -3.63 14.21 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.54 1.81 . . . . 0.0 111.016 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -86.75 2.13 49.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 109.336 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -81.94 117.76 22.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 44.7 p -58.16 -29.75 65.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 110.414 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 3.4 m80 -66.91 -59.72 3.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.572 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.895 ' HB3' HG12 ' A' ' 113' ' ' VAL . 13.9 m-30 -55.86 -33.85 64.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 111.012 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.955 ' O ' HD22 ' A' ' 123' ' ' LEU . 0.0 OUTLIER -60.34 -48.05 83.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.69 ' N ' HD13 ' A' ' 123' ' ' LEU . 1.8 tptp -59.37 -39.26 82.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.341 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.567 ' O ' HG23 ' A' ' 129' ' ' THR . 0.6 OUTLIER -55.49 -44.13 76.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.012 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.417 ' O ' ' OG1' ' A' ' 129' ' ' THR . 1.9 tp -70.89 -34.02 71.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -67.96 -44.77 75.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.32 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.06 -42.68 93.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 111.004 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.779 HG21 ' CD2' ' A' ' 109' ' ' PHE . 2.6 p -55.85 -28.66 57.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.401 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -44.79 -52.01 8.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.642 ' O ' HD12 ' A' ' 135' ' ' LEU . 12.7 mttt -107.04 45.32 0.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.895 ' HB1' ' CD1' ' A' ' 102' ' ' PHE . . . -63.79 -49.92 73.59 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' PRO . . . . . 0.714 ' HD3' ' HB3' ' A' ' 132' ' ' ALA . 18.2 Cg_endo -75.03 -26.52 10.79 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.48 1.779 . . . . 0.0 110.991 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 61.6 mm-40 -79.69 -49.76 11.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.238 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.642 HD12 ' O ' ' A' ' 131' ' ' LYS . 6.7 mt -48.3 -42.16 30.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' HIS . . . . . 0.616 ' CD2' ' CE1' ' A' ' 140' ' ' TYR . 18.9 t-80 -67.57 -43.5 80.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.66 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.407 ' O ' ' HB3' ' A' ' 141' ' ' LYS . . . -61.86 -52.44 64.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.458 ' CG ' ' HA ' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -68.66 -32.72 72.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.313 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.636 ' HB2' ' O ' ' A' ' 135' ' ' LEU . . . -63.61 -39.39 94.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.34 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 140' ' ' TYR . . . . . 0.616 ' CE1' ' CD2' ' A' ' 136' ' ' HIS . 4.2 m-85 -88.25 -37.18 16.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 111.031 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.407 ' HB3' ' O ' ' A' ' 137' ' ' ALA . 2.9 tttp -65.77 -48.34 72.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 109.261 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -78.71 119.0 21.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.325 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 89.87 146.1 14.16 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.558 1.161 . . . . 0.0 110.991 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 62.11 99.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 0.773 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 145' ' ' GLY . . . . . 0.423 ' HA3' ' CD2' ' A' ' 149' ' ' HIS . . . -136.32 95.15 0.24 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.485 1.116 . . . . 0.0 111.008 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -40.84 155.41 0.06 OUTLIER Glycine 0 CA--C 1.531 1.049 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 15.8 p -40.78 114.31 0.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 0.773 . . . . 0.0 110.001 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 66.56 70.39 0.4 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.605 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' HIS . . . . . 0.511 ' O ' ' CG ' ' A' ' 149' ' ' HIS . 8.1 p80 -101.42 68.73 1.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.623 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 37.7 m80 66.0 135.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.612 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -89.44 98.32 11.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.571 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -55.02 124.05 15.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.583 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.531 -179.961 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -50.75 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.42 1.747 . . . . 0.0 110.993 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 1.7 mt 64.25 74.75 0.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -158.08 -178.2 31.89 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.536 1.147 . . . . 0.0 110.992 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 3.6 m -79.09 -31.52 44.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 0.774 . . . . 0.0 109.984 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER 70.91 -62.74 0.44 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 111.025 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 73.06 -62.58 0.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.0 t -132.24 151.16 51.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 110.376 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -177.42 132.84 0.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 110.36 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.564 ' O ' ' CG ' ' A' ' 6' ' ' GLU . 8.9 t -71.31 -49.41 42.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.357 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.564 ' CG ' ' O ' ' A' ' 5' ' ' THR . 0.0 OUTLIER 90.85 -25.97 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.558 ' CD2' ' OG1' ' A' ' 5' ' ' THR . 23.0 m-85 -60.55 -55.08 37.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.1 -37.47 15.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.44 ' CG ' ' CE2' ' A' ' 13' ' ' PHE . 7.2 ttm180 -66.96 -36.17 81.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.303 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.738 HD13 ' CG ' ' A' ' 47' ' ' PHE . 5.5 mt -62.42 -47.0 95.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.357 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.505 HD23 ' N ' ' A' ' 11' ' ' LEU . 4.2 mt -54.16 -31.54 52.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.591 ' CD1' HD11 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -74.45 -43.1 57.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.762 ' O ' HG21 ' A' ' 40' ' ' VAL . 5.4 m-85 -63.88 -33.85 76.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 110.978 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.578 ' HG2' HD21 ' A' ' 44' ' ' LEU . 14.1 mm-40 -62.11 -52.84 62.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.314 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.46 ' HG3' ' N ' ' A' ' 16' ' ' ILE . 1.0 OUTLIER -57.57 -29.26 64.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.297 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.591 HD11 ' CD1' ' A' ' 12' ' ' LEU . 37.5 mt -71.32 -53.03 22.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.5 ' O ' ' CB ' ' A' ' 21' ' ' GLU . 0.1 OUTLIER -55.89 -38.8 70.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -67.23 -47.44 70.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.89 -43.24 75.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.803 ' HB1' ' HB2' ' A' ' 37' ' ' TRP . . . -66.95 -57.5 6.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.566 ' HG3' ' CZ2' ' A' ' 37' ' ' TRP . 14.3 tt0 -50.96 -37.47 44.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.291 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.405 ' HA ' ' HD3' ' A' ' 25' ' ' LYS . 37.4 t30 -75.47 -43.82 47.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.436 1.085 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.555 HG22 ' OD2' ' A' ' 30' ' ' ASP . 20.8 m -53.64 -23.0 9.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.38 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -52.7 -61.58 2.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.972 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.405 ' HD3' ' HA ' ' A' ' 22' ' ' ASN . 0.0 OUTLIER -60.43 -29.71 69.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.62 -24.32 62.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.046 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.492 ' C ' ' H ' ' A' ' 29' ' ' LEU . 7.0 t-20 -169.6 84.56 0.61 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 23.28 0.4 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.508 1.794 . . . . 0.0 111.007 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.751 ' O ' HG21 ' A' ' 70' ' ' ILE . 8.7 mt -132.35 8.19 4.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.555 ' OD2' HG22 ' A' ' 23' ' ' THR . 17.6 p30 -90.74 99.44 12.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.344 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.784 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . . . -69.15 -30.71 69.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.338 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -61.44 -49.65 75.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.445 ' O ' ' N ' ' A' ' 37' ' ' TRP . 26.5 t30 -68.28 -47.08 68.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.143 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.678 HD22 ' O ' ' A' ' 63' ' ' LYS . 0.5 OUTLIER -51.07 -51.31 54.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 54.4 m -59.32 -41.29 88.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.359 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.53 -33.17 70.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.304 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.803 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . 13.9 t90 -67.46 -27.25 66.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 108.014 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.483 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -84.17 -55.7 2.71 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.485 1.116 . . . . 0.0 111.004 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -38.87 -46.14 2.23 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.762 HG21 ' O ' ' A' ' 13' ' ' PHE . 3.5 p -67.4 -47.5 80.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.484 0.755 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.442 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 12.6 mt -48.37 -43.9 34.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.11 . . . . 0.0 109.282 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 17.1 mt -64.25 -38.32 90.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.524 ' HG3' ' CZ ' ' A' ' 13' ' ' PHE . 38.0 mm-40 -65.78 -60.67 2.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.578 HD21 ' HG2' ' A' ' 14' ' ' GLU . 6.7 mt -62.2 -24.83 67.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.86 -44.15 70.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.978 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.476 ' CG ' ' N ' ' A' ' 47' ' ' PHE . 3.1 pt20 -67.69 -45.15 75.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.738 ' CG ' HD13 ' A' ' 10' ' ' ILE . 26.0 t80 -63.62 -22.47 66.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.994 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 46.2 m-70 -97.46 144.53 27.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.617 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -42.5 155.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.018 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.864 ' CG1' HD22 ' A' ' 91' ' ' LEU . 0.1 OUTLIER -54.67 -48.67 71.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 109.298 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.6 t -44.67 -56.46 4.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.995 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.8 -37.42 70.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.544 ' HB3' ' HA ' ' A' ' 50' ' ' ILE . . . -47.91 -54.48 12.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.438 ' CD ' HG23 ' A' ' 50' ' ' ILE . 18.7 mtpt -57.73 -50.78 72.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 52.7 mm-40 -55.17 -41.62 72.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.137 . . . . 0.0 110.332 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.434 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 60.3 mtp -70.44 -31.98 69.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.959 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.927 HG21 ' HB2' ' A' ' 88' ' ' PHE . 11.6 mt -73.03 -52.64 21.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -46.69 -54.66 9.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.31 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.531 ' HA ' ' CG2' ' A' ' 62' ' ' THR . 8.6 pt-20 -60.63 -37.66 82.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.458 ' N ' ' HG3' ' A' ' 59' ' ' GLU . . . -60.54 -39.92 89.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.557 HG22 ' N ' ' A' ' 62' ' ' THR . 0.3 OUTLIER -62.7 -63.04 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.557 ' N ' HG22 ' A' ' 61' ' ' ILE . 1.4 t -48.97 -25.77 2.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 110.393 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.678 ' O ' HD22 ' A' ' 34' ' ' LEU . 11.2 mttm -70.62 -51.63 26.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.551 ' CZ ' ' HB3' ' A' ' 80' ' ' CYS . 22.6 m-85 -56.32 -33.6 65.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 111.01 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -57.73 -55.46 34.61 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.128 . . . . 0.0 110.304 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.434 ' HA ' HD12 ' A' ' 69' ' ' LEU . 1.7 tt0 -56.21 -38.55 71.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 110.277 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.821 ' HA ' HD12 ' A' ' 70' ' ' ILE . . . -61.92 -43.87 97.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.735 HD21 HG23 ' A' ' 78' ' ' VAL . 28.0 mt -60.39 -31.29 70.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.434 HD12 ' HA ' ' A' ' 66' ' ' GLU . 0.8 OUTLIER -68.87 -31.46 70.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 109.287 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.821 HD12 ' HA ' ' A' ' 67' ' ' ALA . 5.9 mt -76.07 -41.62 38.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -154.73 114.28 2.4 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.135 . . . . 0.0 109.264 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -5.79 17.24 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.504 1.792 . . . . 0.0 111.021 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 75' ' ' ASP . 7.3 mmtm -82.73 -7.02 59.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.82 69.63 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.3 OUTLIER -51.97 -33.34 37.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.502 ' HG3' ' CE3' ' A' ' 79' ' ' TRP . 41.5 tt0 -65.19 -46.1 82.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.254 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.31 -32.44 56.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.326 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.978 HG11 ' HB2' ' A' ' 111' ' ' GLN . 29.0 t -74.53 -53.71 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.502 ' CE3' ' HG3' ' A' ' 76' ' ' GLU . 0.6 OUTLIER -58.17 -44.29 87.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 108.029 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.551 ' HB3' ' CZ ' ' A' ' 64' ' ' PHE . 0.7 OUTLIER -50.42 -51.76 43.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 108.284 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.803 HG21 ' CZ ' ' A' ' 108' ' ' PHE . 74.3 mt -52.04 -48.51 41.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -61.88 -43.21 99.51 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.455 1.097 . . . . 0.0 110.947 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -63.27 -40.61 97.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 0.771 . . . . 0.0 109.357 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.643 ' HB1' HG23 ' A' ' 57' ' ' ILE . . . -66.52 -52.55 44.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 109.33 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.76 ' CE2' HD11 ' A' ' 104' ' ' LEU . 3.1 m-85 -56.82 -43.4 81.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.402 ' O ' ' HB3' ' A' ' 89' ' ' ALA . 18.1 m -58.01 -54.04 51.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.376 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 38.8 m -59.07 -51.19 71.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.972 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.927 ' HB2' HG21 ' A' ' 57' ' ' ILE . 27.3 t80 -54.39 -33.28 58.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.564 1.165 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.714 ' HB2' ' HB3' ' A' ' 101' ' ' ASN . . . -64.01 -45.88 86.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.419 ' CE2' ' CZ ' ' A' ' 102' ' ' PHE . 37.0 m-85 -61.83 -17.66 57.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 110.992 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.864 HD22 ' CG1' ' A' ' 50' ' ' ILE . 36.9 mt -93.96 -18.77 21.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.476 HG22 ' HB2' ' A' ' 98' ' ' ALA . 0.8 OUTLIER -95.07 120.66 63.95 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 110.417 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.627 ' HA ' ' CE2' ' A' ' 140' ' ' TYR . 18.6 Cg_endo -74.92 -27.61 10.02 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.534 1.807 . . . . 0.0 111.071 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.93 93.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -43.06 -47.51 5.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.6 m -52.61 -56.58 14.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.117 . . . . 0.0 110.425 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -65.83 -48.8 70.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 110.267 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.652 ' CB ' ' CE1' ' A' ' 136' ' ' HIS . . . -53.25 -52.95 57.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.91 -55.98 27.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.171 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.503 ' O ' ' CB ' ' A' ' 104' ' ' LEU . 0.2 OUTLIER -49.03 -40.7 32.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.563 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.714 ' HB3' ' HB2' ' A' ' 89' ' ' ALA . 0.8 OUTLIER -64.17 -53.89 42.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 109.292 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.913 ' HB3' ' HB1' ' A' ' 132' ' ' ALA . 11.3 m-85 -56.5 -44.47 80.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 110.972 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -74.77 -24.84 58.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.875 HD22 ' O ' ' A' ' 104' ' ' LEU . 0.4 OUTLIER -76.93 -38.28 53.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.82 -23.13 66.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.332 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.5 m -65.09 -53.53 44.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.38 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.438 ' CG ' ' O ' ' A' ' 104' ' ' LEU . 1.0 OUTLIER -49.67 -25.71 3.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.278 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.803 ' CZ ' HG21 ' A' ' 81' ' ' ILE . 4.9 m-85 -82.65 -48.11 11.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 110.981 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.655 ' HD2' HG21 ' A' ' 129' ' ' THR . 14.7 m-85 -54.73 -33.08 60.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 111.031 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -60.68 -29.03 69.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 0.0 110.306 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.978 ' HB2' HG11 ' A' ' 78' ' ' VAL . 28.0 mt-30 -80.49 -40.57 25.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.283 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -52.93 -51.92 59.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.258 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.819 HG12 ' HB3' ' A' ' 122' ' ' TYR . 6.2 m -68.53 -36.19 73.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -46.3 -51.01 15.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.268 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -65.25 -39.93 93.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 110.317 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.465 ' NE2' ' OD1' ' A' ' 119' ' ' ASN . 2.3 tt0 -160.28 92.14 1.67 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.334 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.457 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.4 Cg_endo -74.95 -4.25 15.12 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.509 1.794 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -87.72 5.5 39.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.465 ' OD1' ' NE2' ' A' ' 116' ' ' GLN . 1.0 OUTLIER -83.8 120.31 25.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 70.3 p -55.96 -50.95 69.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.419 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 8.7 m80 -49.95 -58.0 6.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.649 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.819 ' HB3' HG12 ' A' ' 113' ' ' VAL . 10.1 m-30 -53.8 -37.2 63.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 1.001 ' O ' HD22 ' A' ' 123' ' ' LEU . 0.0 OUTLIER -60.35 -44.82 95.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.658 ' N ' HD13 ' A' ' 123' ' ' LEU . 0.1 OUTLIER -63.76 -39.36 94.09 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.491 1.119 . . . . 0.0 109.25 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.924 ' O ' HG23 ' A' ' 129' ' ' THR . 1.1 m -55.66 -46.67 77.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.989 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 3.0 tp -69.19 -34.61 75.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.347 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.469 ' O ' ' HB3' ' A' ' 130' ' ' ALA . 4.4 tp10 -68.08 -41.94 81.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 110.33 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 12.3 mmm -62.62 -48.91 77.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.924 HG23 ' O ' ' A' ' 125' ' ' SER . 81.5 p -53.64 -24.91 15.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 110.414 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 127' ' ' GLU . . . -43.85 -40.74 4.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.442 ' O ' ' CG ' ' A' ' 135' ' ' LEU . 0.8 OUTLIER -122.4 47.84 1.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.312 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.913 ' HB1' ' HB3' ' A' ' 102' ' ' PHE . . . -64.78 -48.41 72.91 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' PRO . . . . . 0.651 ' HD3' ' HB3' ' A' ' 132' ' ' ALA . 18.1 Cg_endo -75.04 -28.04 9.45 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.5 1.79 . . . . 0.0 110.969 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' GLN . . . . . 0.439 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 2.9 mt-30 -80.26 -45.74 17.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.255 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.741 ' O ' ' HB2' ' A' ' 139' ' ' ALA . 24.5 mt -54.37 -38.65 66.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' HIS . . . . . 0.652 ' CE1' ' CB ' ' A' ' 98' ' ' ALA . 35.9 t-80 -67.9 -44.36 77.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.138 . . . . 0.0 109.563 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.523 ' O ' ' CB ' ' A' ' 141' ' ' LYS . . . -61.85 -53.05 61.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.477 ' CG ' ' HA ' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -68.72 -27.33 65.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.287 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.741 ' HB2' ' O ' ' A' ' 135' ' ' LEU . . . -60.56 -49.83 75.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 140' ' ' TYR . . . . . 0.627 ' CE2' ' HA ' ' A' ' 93' ' ' PRO . 6.3 m-85 -88.37 -42.78 11.97 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.118 . . . . 0.0 110.976 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.523 ' CB ' ' O ' ' A' ' 137' ' ' ALA . 11.4 ttpt -55.66 -47.95 75.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -82.42 103.44 11.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.423 ' O ' ' N ' ' A' ' 145' ' ' GLY . . . 102.76 128.23 6.32 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.462 1.101 . . . . 0.0 110.992 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 2.9 mp 69.92 -65.44 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 0.789 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 143' ' ' GLY . . . 56.55 -153.56 18.93 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.493 1.12 . . . . 0.0 111.003 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -114.41 108.84 2.07 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 5.9 m 62.23 158.6 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 0.759 . . . . 0.0 109.972 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -67.51 126.08 28.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.609 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -170.31 111.23 0.41 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.565 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 17.5 p80 -119.99 134.63 55.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.608 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 57.52 163.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.622 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 67.03 162.35 0.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.606 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.596 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 127.94 11.12 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.527 1.804 . . . . 0.0 111.012 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -172.46 -62.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.34 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 152.61 51.74 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 78.7 p -76.67 -37.06 56.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 0.781 . . . . 0.0 110.006 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 ptp 37.59 41.47 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.53 179.55 7.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 67.55 -175.74 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.371 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.436 ' O ' ' CB ' ' A' ' 5' ' ' THR . 5.4 pt-20 -178.74 -164.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.574 ' O ' ' CG ' ' A' ' 6' ' ' GLU . 4.1 m 77.88 29.28 0.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.428 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.574 ' CG ' ' O ' ' A' ' 5' ' ' THR . 0.0 OUTLIER 88.89 -20.96 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 110.314 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.449 ' O ' ' N ' ' A' ' 10' ' ' ILE . 25.2 m-85 -67.74 -54.69 17.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.0 p-10 -47.81 -32.03 5.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.273 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.513 ' CG ' ' CE2' ' A' ' 13' ' ' PHE . 9.2 ttm180 -75.71 -34.21 60.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 110.29 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.516 HD11 ' HB2' ' A' ' 47' ' ' PHE . 52.2 mt -57.55 -48.29 83.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.434 HD23 ' N ' ' A' ' 11' ' ' LEU . 6.9 mt -55.21 -41.54 72.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.345 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.725 ' CD1' HD11 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -57.99 -50.61 72.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.686 ' HA ' HD12 ' A' ' 16' ' ' ILE . 12.5 m-85 -63.94 -37.94 89.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -53.0 -53.0 56.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.457 ' CG ' ' O ' ' A' ' 12' ' ' LEU . 1.1 pt20 -62.38 -28.13 69.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 110.29 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.725 HD11 ' CD1' ' A' ' 12' ' ' LEU . 70.6 mt -71.37 -49.47 47.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.57 1.169 . . . . 0.0 109.272 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.5 ttp180 -60.92 -34.04 74.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.343 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -69.04 -54.44 15.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.289 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 23' ' ' THR . 0.1 OUTLIER -69.23 -29.65 67.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 16' ' ' ILE . . . -73.63 -45.81 50.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.586 ' HG3' ' CZ2' ' A' ' 37' ' ' TRP . 16.3 tt0 -66.64 -44.7 81.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.476 ' OD1' ' O ' ' A' ' 19' ' ' ASP . 0.2 OUTLIER -67.83 -36.72 80.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.653 HG22 ' ND2' ' A' ' 33' ' ' ASN . 1.4 m -60.84 -24.7 66.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.393 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.408 ' CD1' ' HZ3' ' A' ' 37' ' ' TRP . 6.8 t80 -51.37 -60.3 3.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.19 -26.97 68.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.1 -26.24 60.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.992 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -169.38 85.29 0.62 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 -11.23 21.31 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.521 1.801 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.873 ' O ' HG21 ' A' ' 70' ' ' ILE . 11.5 mt -88.87 -22.06 23.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -64.75 99.53 0.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.271 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.793 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . . . -70.07 -27.41 64.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -64.56 -52.16 59.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.573 1.17 . . . . 0.0 109.259 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.653 ' ND2' HG22 ' A' ' 23' ' ' THR . 0.8 OUTLIER -65.3 -40.2 93.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 1.011 HD22 ' O ' ' A' ' 63' ' ' LYS . 0.3 OUTLIER -59.4 -52.48 65.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.468 ' CG2' ' HG2' ' A' ' 76' ' ' GLU . 82.0 m -59.62 -37.88 79.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.396 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.34 -32.32 69.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 110.33 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.672 ' CZ2' ' NZ ' ' A' ' 63' ' ' LYS . 12.3 t90 -65.91 -27.48 68.23 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.452 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -84.68 -54.12 3.02 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.509 1.131 . . . . 0.0 111.034 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -40.46 -44.66 3.2 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.582 HG22 ' HB3' ' A' ' 13' ' ' PHE . 0.6 OUTLIER -67.4 -47.89 79.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 0.777 . . . . 0.0 109.264 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.474 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 14.1 mt -48.32 -43.82 33.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 15.9 mt -65.44 -36.74 84.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.355 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.47 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 19.4 mm-40 -65.11 -59.23 4.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.463 HD21 ' HB2' ' A' ' 13' ' ' PHE . 75.7 mt -61.97 -25.63 67.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.47 -36.89 74.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.008 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.467 ' HG2' ' N ' ' A' ' 47' ' ' PHE . 3.0 pt20 -66.46 -34.34 77.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 110.263 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.516 ' HB2' HD11 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -80.48 -36.32 33.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 111.082 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -78.81 135.95 37.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.584 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 46.0 m -41.0 148.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.001 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.981 ' CG1' HD22 ' A' ' 91' ' ' LEU . 1.0 OUTLIER -48.99 -43.96 15.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.304 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.9 t -46.65 -56.42 6.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.993 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.69 -36.39 62.74 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.626 ' HB3' ' HA ' ' A' ' 50' ' ' ILE . . . -49.1 -54.46 16.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.438 ' HD3' HG23 ' A' ' 50' ' ' ILE . 23.4 mtpt -51.73 -53.01 44.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -55.14 -46.11 75.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.286 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 93.3 mtp -62.02 -32.33 72.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 111.006 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.732 HG21 ' HB2' ' A' ' 88' ' ' PHE . 34.9 mt -72.76 -52.28 23.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -45.75 -51.1 13.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.248 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.452 ' HG2' ' N ' ' A' ' 60' ' ' ALA . 3.1 pt-20 -66.44 -37.58 85.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 110.296 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.452 ' N ' ' HG2' ' A' ' 59' ' ' GLU . . . -59.39 -28.32 66.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.626 HD12 ' O ' ' A' ' 57' ' ' ILE . 0.7 OUTLIER -69.89 -44.91 78.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.413 HG23 ' H ' ' A' ' 62' ' ' THR . 27.9 p -60.74 -32.48 71.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.394 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 1.011 ' O ' HD22 ' A' ' 34' ' ' LEU . 10.4 mmtp -60.79 -52.61 64.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.509 ' CZ ' ' HB3' ' A' ' 80' ' ' CYS . 9.6 m-85 -62.5 -36.4 82.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 110.977 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -48.64 -55.12 12.15 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.486 1.116 . . . . 0.0 110.318 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.449 ' HB3' ' CD1' ' A' ' 34' ' ' LEU . 23.8 tp10 -66.53 -43.3 85.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 0.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.629 ' HB2' ' HB3' ' A' ' 34' ' ' LEU . . . -54.31 -45.42 72.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.12 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.666 HD21 HG23 ' A' ' 78' ' ' VAL . 6.9 mt -64.45 -28.36 69.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.9 -31.41 68.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.873 HG21 ' O ' ' A' ' 29' ' ' LEU . 4.6 mt -78.75 -42.7 25.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -143.94 110.05 5.13 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -18.06 19.18 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.5 1.79 . . . . 0.0 111.04 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.18 2.59 34.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.464 ' HB3' ' HB3' ' A' ' 77' ' ' ALA . 1.2 tptp -69.62 79.54 0.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.27 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.87 -32.53 32.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.498 ' HG3' ' CE3' ' A' ' 79' ' ' TRP . 17.9 tt0 -66.5 -51.73 53.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.315 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.464 ' HB3' ' HB3' ' A' ' 74' ' ' LYS . . . -52.59 -32.84 43.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.927 HG11 ' HB2' ' A' ' 111' ' ' GLN . 16.9 t -74.69 -53.55 16.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.092 . . . . 0.0 109.257 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.498 ' CE3' ' HG3' ' A' ' 76' ' ' GLU . 0.4 OUTLIER -57.86 -46.32 84.99 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.509 ' HB3' ' CZ ' ' A' ' 64' ' ' PHE . 0.5 OUTLIER -50.41 -55.27 16.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 108.287 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.658 ' CD1' HD12 ' A' ' 68' ' ' LEU . 72.5 mt -52.04 -41.13 31.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -68.75 -44.65 69.07 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.451 1.094 . . . . 0.0 110.97 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -63.66 -32.0 73.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 0.739 . . . . 0.0 109.263 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.412 ' HB1' HG23 ' A' ' 57' ' ' ILE . . . -67.97 -55.16 13.72 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.453 ' CD1' ' OD1' ' A' ' 101' ' ' ASN . 10.8 m-85 -59.29 -48.57 81.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.994 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 96.1 m -54.69 -47.09 74.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 110.432 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.2 t -67.01 -50.98 60.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.996 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.732 ' HB2' HG21 ' A' ' 57' ' ' ILE . 40.4 t80 -54.09 -34.69 60.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.622 ' HB1' ' HB1' ' A' ' 98' ' ' ALA . . . -58.96 -48.91 79.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -57.89 -23.19 52.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 111.03 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.981 HD22 ' CG1' ' A' ' 50' ' ' ILE . 5.3 mt -94.63 -3.02 50.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.249 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.578 HG21 ' HB2' ' A' ' 97' ' ' GLU . 1.5 m -98.5 105.89 32.74 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 110.441 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.59 ' HA ' ' CE2' ' A' ' 140' ' ' TYR . 18.3 Cg_endo -74.96 -13.44 21.5 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.492 1.785 . . . . 0.0 111.011 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.631 ' O ' ' CB ' ' A' ' 95' ' ' GLU . 0.1 OUTLIER -58.69 -49.65 76.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.1 . . . . 0.0 109.267 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.631 ' CB ' ' O ' ' A' ' 94' ' ' ASP . 2.0 mm-40 97.42 -55.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.299 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.37 -38.92 78.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.413 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.578 ' HB2' HG21 ' A' ' 92' ' ' THR . 6.3 mt-10 -75.86 -35.18 59.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.336 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.622 ' HB1' ' HB1' ' A' ' 89' ' ' ALA . . . -69.94 -52.53 23.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.54 -49.88 73.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -56.13 -44.11 78.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.594 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.453 ' OD1' ' CD1' ' A' ' 85' ' ' TYR . 11.0 m-20 -66.54 -47.81 71.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.143 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.553 ' HB3' ' HB1' ' A' ' 132' ' ' ALA . 2.0 m-85 -51.08 -45.52 61.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -73.6 -20.18 60.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.482 HD23 ' HG2' ' A' ' 107' ' ' GLN . 0.1 OUTLIER -76.03 -46.05 31.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.731 ' HB1' ' CZ ' ' A' ' 109' ' ' PHE . . . -61.54 -24.57 66.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.511 ' HA ' ' CD2' ' A' ' 109' ' ' PHE . 2.6 m -63.63 -55.07 26.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.406 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.482 ' HG2' HD23 ' A' ' 104' ' ' LEU . 1.7 pt20 -54.97 -23.92 21.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 110.311 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.8 ' HD1' HG13 ' A' ' 78' ' ' VAL . 15.0 m-85 -82.93 -44.02 15.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 110.989 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.731 ' CZ ' ' HB1' ' A' ' 105' ' ' ALA . 19.1 m-30 -54.5 -32.72 58.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 111.062 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.87 -30.4 70.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.297 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.927 ' HB2' HG11 ' A' ' 78' ' ' VAL . 39.5 mt-30 -81.22 -41.16 22.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.098 . . . . 0.0 110.315 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.5 ' O ' ' CD2' ' A' ' 122' ' ' TYR . . . -61.66 -52.8 62.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.252 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.722 HG12 ' HB3' ' A' ' 122' ' ' TYR . 4.1 m -63.64 -35.48 72.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.42 -45.92 9.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -75.1 -44.17 48.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.342 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -139.2 83.51 17.71 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.477 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.4 Cg_endo -74.94 -9.25 20.77 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.513 1.796 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -96.73 -11.87 24.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -68.36 116.29 8.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.479 ' HA ' HD12 ' A' ' 123' ' ' LEU . 2.0 t -52.81 -39.8 62.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.414 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -58.44 -45.57 88.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.54 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.722 ' HB3' HG12 ' A' ' 113' ' ' VAL . 12.0 m-30 -77.52 -24.09 50.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 111.014 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.973 HD13 ' N ' ' A' ' 124' ' ' LYS . 0.0 OUTLIER -77.43 -50.41 12.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 109.268 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.973 ' N ' HD13 ' A' ' 123' ' ' LEU . 0.1 OUTLIER -59.32 -43.78 92.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.54 -42.29 87.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.969 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.561 ' O ' HG23 ' A' ' 129' ' ' THR . 13.6 tp -72.9 -56.36 5.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -55.23 -29.53 58.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 110.272 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' MET . . . . . 0.402 ' N ' ' O ' ' A' ' 124' ' ' LYS . 8.8 mmm -59.16 -31.81 69.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.561 HG23 ' O ' ' A' ' 126' ' ' LEU . 28.0 p -62.99 -28.53 70.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.342 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 129' ' ' THR . . . -39.62 -43.24 1.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.266 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.41 ' O ' ' CB ' ' A' ' 135' ' ' LEU . 0.7 OUTLIER -122.03 48.14 1.77 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 109.336 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.702 ' HB3' ' HD3' ' A' ' 133' ' ' PRO . . . -65.1 -49.58 65.84 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' PRO . . . . . 0.702 ' HD3' ' HB3' ' A' ' 132' ' ' ALA . 18.3 Cg_endo -74.97 -26.67 10.76 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.5 1.789 . . . . 0.0 110.964 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' GLN . . . . . 0.458 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 64.6 mm-40 -80.47 -48.32 12.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.302 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.732 ' O ' ' HB2' ' A' ' 139' ' ' ALA . 35.5 mt -51.63 -41.07 61.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' HIS . . . . . 0.546 ' CE1' ' HA ' ' A' ' 95' ' ' GLU . 60.0 t-80 -66.85 -44.91 79.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.088 . . . . 0.0 109.56 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.528 ' O ' ' CB ' ' A' ' 141' ' ' LYS . . . -61.88 -53.0 61.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.138 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.473 ' CG ' ' HA ' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -68.96 -26.97 65.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.264 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.732 ' HB2' ' O ' ' A' ' 135' ' ' LEU . . . -58.95 -51.33 70.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 140' ' ' TYR . . . . . 0.59 ' CE2' ' HA ' ' A' ' 93' ' ' PRO . 7.5 m-85 -88.3 -41.98 12.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 111.044 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.528 ' CB ' ' O ' ' A' ' 137' ' ' ALA . 8.3 ttpp -55.4 -47.23 76.21 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.459 1.1 . . . . 0.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.06 121.24 27.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 110.288 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 159.18 62.55 0.01 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.487 1.117 . . . . 0.0 111.035 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -153.71 97.55 2.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 0.747 . . . . 0.0 109.25 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 77.7 154.66 6.86 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.534 1.146 . . . . 0.0 110.985 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -74.94 73.27 1.5 Allowed Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.0 121.2 41.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 0.762 . . . . 0.0 109.996 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -47.5 135.82 10.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.609 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 16.4 t60 -52.72 171.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.585 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 -119.83 127.19 52.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.605 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -157.1 145.1 19.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.605 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -155.95 101.95 2.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.637 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 6.4 m80 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.583 -179.99 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 149.68 37.24 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.478 1.778 . . . . 0.0 111.01 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 3.9 mp 65.39 79.06 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -68.33 -145.32 0.13 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.52 1.137 . . . . 0.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 46.1 t -78.86 -34.63 44.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 0.746 . . . . 0.0 110.009 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.5 ttp -173.15 139.89 0.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 111.019 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 26.3 t0 178.86 92.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.243 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 63.2 p -135.39 156.37 49.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.394 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.407 ' C ' ' CG2' ' A' ' 5' ' ' THR . 0.4 OUTLIER -179.44 173.79 1.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.314 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.407 ' CG2' ' C ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER 37.63 79.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.394 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -49.29 -21.56 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 0.0 110.247 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -63.49 -55.24 25.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -49.46 -39.16 32.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.373 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.3 ttm180 -73.82 -35.77 64.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.328 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.464 HG23 HD22 ' A' ' 44' ' ' LEU . 30.3 mt -61.81 -38.46 80.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.439 HD23 ' N ' ' A' ' 11' ' ' LEU . 6.6 mt -57.95 -41.69 83.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.336 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.924 HD12 HD12 ' A' ' 16' ' ' ILE . 0.2 OUTLIER -59.53 -50.54 73.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.347 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.769 ' HD1' HG23 ' A' ' 40' ' ' VAL . 15.3 m-85 -63.73 -35.58 81.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.127 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -61.18 -57.69 11.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.163 . . . . 0.0 110.273 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.444 ' CG ' ' O ' ' A' ' 12' ' ' LEU . 7.2 pt20 -52.68 -31.63 38.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.327 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.924 HD12 HD12 ' A' ' 12' ' ' LEU . 5.2 mt -71.26 -50.59 40.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.446 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.4 OUTLIER -52.45 -56.29 16.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 110.279 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.43 ' HG3' ' N ' ' A' ' 19' ' ' ASP . 5.4 pt20 -53.81 -45.11 70.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.287 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.43 ' N ' ' HG3' ' A' ' 18' ' ' GLN . 0.3 OUTLIER -62.34 -38.52 89.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.779 ' HB1' ' CG ' ' A' ' 37' ' ' TRP . . . -56.99 -45.78 82.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.651 ' HG2' ' CZ2' ' A' ' 37' ' ' TRP . 3.2 mt-10 -62.0 -41.86 98.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.12 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.455 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 1.1 m120 -69.29 -47.85 63.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.544 HG21 ' CG ' ' A' ' 33' ' ' ASN . 4.3 m -60.56 -21.41 62.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.441 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.402 ' O ' ' N ' ' A' ' 28' ' ' PRO . 5.5 t80 -65.46 -62.3 1.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.955 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 22' ' ' ASN . 0.4 OUTLIER -64.14 -24.34 67.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.08 -25.38 29.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.017 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' A' ' 23' ' ' THR . 14.8 m120 -169.61 82.55 0.63 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.402 ' N ' ' O ' ' A' ' 24' ' ' TYR . 18.4 Cg_endo -74.98 -13.03 21.57 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.464 1.77 . . . . 0.0 111.033 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.817 ' O ' HG21 ' A' ' 70' ' ' ILE . 11.3 mt -82.47 -18.32 42.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.24 99.48 0.39 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.807 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . . . -74.03 -22.26 59.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.102 . . . . 0.0 109.282 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -69.23 -55.01 11.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.16 . . . . 0.0 109.319 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.544 ' CG ' HG21 ' A' ' 23' ' ' THR . 1.7 t30 -69.62 -34.96 74.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.969 ' HG ' ' HB2' ' A' ' 67' ' ' ALA . 1.3 tp -66.89 -41.14 87.7 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.41 ' CB ' ' O ' ' A' ' 31' ' ' ALA . 4.7 m -69.0 -53.58 19.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.377 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.434 ' CD ' HG23 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -57.87 -19.11 26.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 110.274 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.779 ' CG ' ' HB1' ' A' ' 20' ' ' ALA . 6.9 t90 -67.48 -27.53 67.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 107.995 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.599 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -82.57 -56.53 2.78 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.485 1.116 . . . . 0.0 110.964 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -42.44 -45.71 5.45 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.769 HG23 ' HD1' ' A' ' 13' ' ' PHE . 5.5 p -67.36 -37.61 79.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.492 0.76 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 38' ' ' GLY . 10.1 mt -60.94 -41.49 96.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.309 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.1 mt -65.51 -35.94 82.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -65.19 -58.14 6.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.271 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.464 HD22 HG23 ' A' ' 10' ' ' ILE . 88.0 mt -61.84 -25.11 67.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.45 -36.45 71.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.997 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.444 ' HG2' ' N ' ' A' ' 47' ' ' PHE . 4.4 pt20 -66.66 -35.06 79.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.133 . . . . 0.0 110.347 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.617 ' CZ ' ' CE1' ' A' ' 48' ' ' HIS . 0.0 OUTLIER -80.46 -35.05 35.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 111.035 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.617 ' CE1' ' CZ ' ' A' ' 47' ' ' PHE . 1.8 m170 -80.37 141.52 35.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.594 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 59.6 m -48.62 160.58 0.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.97 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.567 ' HA ' ' HB3' ' A' ' 53' ' ' ALA . 0.2 OUTLIER -57.54 -48.62 82.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 56.0 p -44.36 -52.35 7.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 110.021 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -75.85 -38.33 58.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.567 ' HB3' ' HA ' ' A' ' 50' ' ' ILE . . . -47.2 -54.57 10.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.496 ' CD ' HG23 ' A' ' 50' ' ' ILE . 0.4 OUTLIER -52.6 -58.28 7.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.32 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 58.7 mm-40 -52.78 -41.97 64.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.291 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 87.7 mtp -66.82 -34.33 77.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 111.008 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.946 HG21 ' HB2' ' A' ' 88' ' ' PHE . 32.4 mt -72.48 -45.73 58.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.519 ' O ' HG23 ' A' ' 62' ' ' THR . 5.2 mt-30 -49.32 -54.37 17.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.347 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.422 ' HG2' ' N ' ' A' ' 60' ' ' ALA . 4.7 pt-20 -65.07 -34.19 77.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.336 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.422 ' N ' ' HG2' ' A' ' 59' ' ' GLU . . . -59.54 -31.55 69.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.509 HG12 ' CE1' ' A' ' 85' ' ' TYR . 0.5 OUTLIER -76.31 -58.01 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.519 HG23 ' O ' ' A' ' 58' ' ' GLN . 58.8 p -50.06 -25.4 3.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.407 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.475 ' HG3' ' CD1' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -71.34 -50.87 27.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.326 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.602 ' CZ ' ' SG ' ' A' ' 80' ' ' CYS . 23.5 m-85 -57.89 -43.31 85.99 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.58 -56.42 8.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 110.265 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.714 ' HB3' HD21 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -59.93 -38.03 81.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 110.308 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.969 ' HB2' ' HG ' ' A' ' 34' ' ' LEU . . . -65.85 -39.39 90.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.704 HD21 HG23 ' A' ' 78' ' ' VAL . 7.3 mt -63.81 -28.69 70.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.464 HD12 ' HA ' ' A' ' 66' ' ' GLU . 0.6 OUTLIER -68.06 -33.57 74.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.939 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.817 HG21 ' O ' ' A' ' 29' ' ' LEU . 5.0 mt -73.35 -43.49 56.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -146.79 105.88 3.96 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.339 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -13.01 21.66 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.468 1.773 . . . . 0.0 111.017 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.0 ptmt -84.09 0.61 47.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.39 80.21 1.89 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.423 ' N ' ' OD1' ' A' ' 75' ' ' ASP . 0.3 OUTLIER -54.29 -23.62 15.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.324 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 52.3 tt0 -69.47 -52.75 23.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.09 . . . . 0.0 110.269 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.34 -31.86 35.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.938 HG11 ' HB2' ' A' ' 111' ' ' GLN . 24.4 t -74.65 -52.92 18.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.26 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -59.08 -46.54 88.03 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.602 ' SG ' ' CZ ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -50.54 -52.88 34.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 108.362 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.617 ' CG2' ' CE2' ' A' ' 85' ' ' TYR . 58.9 mt -51.99 -41.76 32.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.429 ' HA3' ' CE1' ' A' ' 109' ' ' PHE . . . -67.51 -41.41 90.34 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.502 1.126 . . . . 0.0 110.984 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -64.5 -35.76 81.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 0.759 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.488 ' HB1' HG23 ' A' ' 57' ' ' ILE . . . -65.43 -55.62 16.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.617 ' CE2' ' CG2' ' A' ' 81' ' ' ILE . 16.0 m-85 -58.14 -43.41 87.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 111.006 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 73.8 m -55.4 -47.62 75.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.417 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.407 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 36.5 m -66.95 -52.49 42.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 110.011 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.946 ' HB2' HG21 ' A' ' 57' ' ' ILE . 37.5 t80 -52.28 -32.32 36.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 111.032 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.429 ' HB1' ' CE2' ' A' ' 102' ' ' PHE . . . -64.07 -48.59 75.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.244 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -57.69 -17.23 13.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.505 HD22 ' CG1' ' A' ' 50' ' ' ILE . 7.0 mt -95.9 -21.22 18.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -96.89 117.58 65.73 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.358 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -27.04 10.33 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.473 1.775 . . . . 0.0 110.963 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.424 ' OD1' ' HB ' ' A' ' 96' ' ' THR . 10.4 t70 -58.93 93.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -46.02 -45.93 16.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 110.332 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.424 ' HB ' ' OD1' ' A' ' 94' ' ' ASP . 0.9 OUTLIER -51.55 -51.41 55.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.547 1.154 . . . . 0.0 110.4 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -73.87 -49.88 22.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.323 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -52.34 -53.83 39.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.339 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -51.15 70.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -49.3 -39.85 32.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.616 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -69.96 -54.32 13.83 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.904 ' CD1' ' HB1' ' A' ' 132' ' ' ALA . 6.1 m-85 -51.82 -39.74 59.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.7 -19.72 60.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.552 HD23 ' HG2' ' A' ' 107' ' ' GLN . 0.2 OUTLIER -75.64 -48.58 21.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 109.273 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.955 ' HB1' ' CZ ' ' A' ' 109' ' ' PHE . . . -56.35 -28.03 57.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 16.0 m -60.44 -56.57 19.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 110.396 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.552 ' HG2' HD23 ' A' ' 104' ' ' LEU . 0.3 OUTLIER -57.26 -22.81 44.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.746 ' HD1' HG13 ' A' ' 78' ' ' VAL . 7.0 m-85 -83.23 -48.95 9.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 110.999 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.955 ' CZ ' ' HB1' ' A' ' 105' ' ' ALA . 20.6 m-85 -53.84 -32.38 52.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.969 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.1 -28.0 68.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.938 ' HB2' HG11 ' A' ' 78' ' ' VAL . 35.5 mt-30 -81.44 -43.06 19.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.589 1.18 . . . . 0.0 110.333 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -54.55 -55.37 29.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.294 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.711 HG12 ' HB3' ' A' ' 122' ' ' TYR . 16.7 m -63.27 -34.37 66.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -45.65 -52.05 11.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -63.36 -42.37 98.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 110.26 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.439 ' O ' ' CG ' ' A' ' 116' ' ' GLN . 3.1 tt0 -157.8 91.55 2.25 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.147 . . . . 0.0 110.351 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.475 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.3 Cg_endo -74.97 -3.86 14.55 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.505 1.792 . . . . 0.0 111.034 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -89.36 8.05 32.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -86.7 121.57 29.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 61.5 p -57.94 -50.98 71.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.117 . . . . 0.0 110.398 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 8.7 m80 -49.85 -52.6 31.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.639 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.711 ' HB3' HG12 ' A' ' 113' ' ' VAL . 10.2 m-30 -60.64 -34.88 74.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.901 HD13 ' N ' ' A' ' 124' ' ' LYS . 0.0 OUTLIER -60.41 -53.74 54.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.358 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.901 ' N ' HD13 ' A' ' 123' ' ' LEU . 0.0 OUTLIER -55.02 -42.53 72.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.33 -37.21 72.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.03 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.4 ' O ' ' OG1' ' A' ' 129' ' ' THR . 11.1 tp -73.35 -41.97 62.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.27 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.06 -32.74 73.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.263 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.87 -28.54 64.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.968 ' HA ' ' HB2' ' A' ' 132' ' ' ALA . 18.0 p -68.54 -38.18 80.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.415 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 129' ' ' THR . . . -39.4 -39.91 0.74 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.402 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 16.3 mttt -131.15 38.24 3.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.968 ' HB2' ' HA ' ' A' ' 129' ' ' THR . . . -60.84 -52.35 73.02 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' PRO . . . . . 0.776 ' HD3' ' HB3' ' A' ' 132' ' ' ALA . 18.3 Cg_endo -74.97 -21.55 15.8 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.465 1.771 . . . . 0.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' GLN . . . . . 0.435 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 49.8 mm-40 -80.27 -47.24 14.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.282 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.654 ' O ' ' HB2' ' A' ' 139' ' ' ALA . 8.0 mt -48.27 -42.62 31.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' HIS . . . . . 0.549 ' NE2' ' CZ ' ' A' ' 140' ' ' TYR . 6.7 t-80 -67.35 -44.62 78.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.169 . . . . 0.0 109.576 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.423 ' O ' ' HB3' ' A' ' 141' ' ' LYS . . . -61.86 -52.74 62.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.508 ' O ' ' CB ' ' A' ' 142' ' ' GLN . 0.0 OUTLIER -68.12 -26.65 65.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.287 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.654 ' HB2' ' O ' ' A' ' 135' ' ' LEU . . . -72.13 -35.58 69.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 140' ' ' TYR . . . . . 0.549 ' CZ ' ' NE2' ' A' ' 136' ' ' HIS . 3.7 m-85 -88.29 -43.82 11.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 111.016 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.439 ' HG2' ' N ' ' A' ' 142' ' ' GLN . 0.0 OUTLIER -66.29 -43.73 85.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 142' ' ' GLN . . . . . 0.508 ' CB ' ' O ' ' A' ' 138' ' ' GLU . 8.4 tm0? -85.44 104.69 15.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.355 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -153.56 101.73 0.21 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.442 1.089 . . . . 0.0 111.001 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 7.4 tp -156.76 103.0 2.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 0.778 . . . . 0.0 109.32 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 109.96 -60.21 0.33 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 101.53 163.43 27.22 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 25.8 t 63.52 83.23 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 0.76 . . . . 0.0 110.016 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -152.15 71.47 0.96 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.563 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 44.4 m170 -80.47 158.3 25.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 109.618 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.53 174.85 0.28 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.616 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -72.59 102.92 3.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 0.0 109.581 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -47.21 149.22 1.03 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.587 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.598 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 156.13 43.24 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.459 1.768 . . . . 0.0 111.009 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 2.7 tt -171.56 -60.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.32 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 135.61 94.45 0.44 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 0' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 2' ' ' ASP . 0.5 OUTLIER -71.64 -36.64 70.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 0.743 . . . . 0.0 109.957 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 67.5 -63.95 0.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.088 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' A' ' 0' ' ' SER . 4.1 m-20 60.93 155.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.7 t -70.82 -173.06 0.73 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 110.398 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.515 ' O ' ' CB ' ' A' ' 5' ' ' THR . 2.2 pt-20 -158.53 117.09 3.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 110.312 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.533 ' O ' ' CB ' ' A' ' 6' ' ' GLU . 2.1 m 83.74 -11.82 0.86 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.115 . . . . 0.0 110.387 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.533 ' CB ' ' O ' ' A' ' 5' ' ' THR . 0.5 OUTLIER 89.3 -27.6 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.267 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.431 ' N ' ' HG2' ' A' ' 6' ' ' GLU . 21.0 m-85 -60.92 -54.83 40.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 111.024 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -47.65 -38.25 14.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.342 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.499 ' CG ' ' CE2' ' A' ' 13' ' ' PHE . 10.6 ttm180 -71.73 -32.68 68.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.377 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.757 HG23 ' CD2' ' A' ' 44' ' ' LEU . 68.3 mt -66.89 -44.58 88.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.7 mt -56.61 -40.37 75.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.431 1.082 . . . . 0.0 109.268 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.755 ' CD1' HD11 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -61.42 -49.16 77.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.337 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.686 ' HA ' HD12 ' A' ' 16' ' ' ILE . 12.2 m-85 -64.01 -36.68 84.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.943 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -56.48 -52.22 65.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 110.311 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.446 ' HG3' ' N ' ' A' ' 16' ' ' ILE . 3.6 pt20 -62.0 -27.57 68.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.755 HD11 ' CD1' ' A' ' 12' ' ' LEU . 69.6 mt -71.19 -53.31 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.259 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.484 ' O ' ' CB ' ' A' ' 21' ' ' GLU . 4.6 ttt180 -53.71 -39.69 65.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.292 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -66.41 -48.27 70.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.305 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.501 ' O ' ' CB ' ' A' ' 23' ' ' THR . 0.4 OUTLIER -66.57 -44.8 81.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.899 ' HB1' ' HB2' ' A' ' 37' ' ' TRP . . . -65.99 -55.57 16.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.574 ' HG3' ' CZ2' ' A' ' 37' ' ' TRP . 30.2 tt0 -54.18 -46.51 72.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.321 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 23.2 t30 -68.61 -45.56 71.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.544 HG21 ' CG ' ' A' ' 33' ' ' ASN . 2.8 m -54.09 -27.42 32.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.402 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -48.97 -59.79 3.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 111.002 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.7 -25.85 68.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.37 -42.35 68.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.968 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -159.03 91.13 1.98 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 0.85 8.43 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.509 1.794 . . . . 0.0 110.996 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.809 ' O ' HG21 ' A' ' 70' ' ' ILE . 10.2 mt -94.7 -21.04 19.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.48 ' O ' ' CB ' ' A' ' 34' ' ' LEU . 0.9 OUTLIER -64.64 99.33 0.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 109.302 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.686 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . . . -70.31 -33.93 72.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -63.78 -55.52 22.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.298 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.544 ' CG ' HG21 ' A' ' 23' ' ' THR . 0.2 OUTLIER -67.96 -36.06 79.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.991 ' HG ' ' HB2' ' A' ' 67' ' ' ALA . 1.1 tp -64.22 -46.24 84.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.2 m -67.32 -43.62 81.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.38 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -59.92 -31.35 69.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.314 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.899 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . 14.7 t90 -63.22 -26.73 68.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 107.996 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.579 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -86.44 -55.24 2.5 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.48 1.112 . . . . 0.0 110.976 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -43.72 -41.6 5.75 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.538 HG23 ' CD1' ' A' ' 13' ' ' PHE . 1.8 p -67.36 -48.22 78.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 0.765 . . . . 0.0 109.345 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.559 HD12 ' NZ ' ' A' ' 63' ' ' LYS . 25.3 mt -48.29 -43.51 32.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 17.6 mt -65.58 -39.39 91.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.364 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.551 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 12.1 mm-40 -60.6 -58.17 9.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.3 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.757 ' CD2' HG23 ' A' ' 10' ' ' ILE . 30.2 mt -61.53 -24.12 66.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.406 ' HA ' ' SD ' ' A' ' 56' ' ' MET . 2.7 t -53.29 -28.05 26.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.018 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -67.9 -40.16 83.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.329 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.606 ' CZ ' ' CE1' ' A' ' 48' ' ' HIS . 0.0 OUTLIER -80.69 -31.82 36.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 111.003 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.606 ' CE1' ' CZ ' ' A' ' 47' ' ' PHE . 5.1 m-70 -78.75 145.22 34.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.595 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 36.6 m -54.79 161.77 1.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.956 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.894 ' CG1' HD22 ' A' ' 91' ' ' LEU . 0.8 OUTLIER -61.71 -46.92 95.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.7 p -47.68 -56.46 7.23 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.475 1.11 . . . . 0.0 109.973 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.43 -40.01 77.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.629 ' C ' HD12 ' A' ' 57' ' ' ILE . . . -46.37 -53.72 10.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.597 ' HB3' ' CE2' ' A' ' 88' ' ' PHE . 5.5 mtpt -59.51 -36.51 76.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -67.27 -56.36 10.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.29 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.452 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 24.3 ptm -64.43 -28.01 69.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.816 HG21 ' HB2' ' A' ' 88' ' ' PHE . 27.2 mt -68.36 -40.57 82.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.422 ' CG ' ' O ' ' A' ' 54' ' ' LYS . 2.0 mt-30 -55.38 -55.14 35.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.291 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.687 ' HG3' ' HZ1' ' A' ' 63' ' ' LYS . 2.3 pt-20 -59.59 -33.93 72.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 110.315 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.569 ' N ' ' HG2' ' A' ' 59' ' ' GLU . . . -61.53 -30.86 70.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.555 HD12 ' O ' ' A' ' 57' ' ' ILE . 0.5 OUTLIER -70.74 -62.25 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.582 HG22 ' HA ' ' A' ' 59' ' ' GLU . 1.2 t -48.29 -35.43 12.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 110.462 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.687 ' HZ1' ' HG3' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -57.24 -47.6 80.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.579 ' CE1' ' HA3' ' A' ' 38' ' ' GLY . 18.9 m-85 -65.82 -37.58 86.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -48.95 -55.81 10.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 110.316 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.58 ' HB3' HD21 ' A' ' 34' ' ' LEU . 0.8 OUTLIER -64.87 -40.96 95.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.308 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.991 ' HB2' ' HG ' ' A' ' 34' ' ' LEU . . . -59.41 -34.22 72.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.852 HD21 HG23 ' A' ' 78' ' ' VAL . 7.2 mt -69.2 -31.7 70.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' A' ' 66' ' ' GLU . 0.4 OUTLIER -65.45 -34.89 79.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.946 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.809 HG21 ' O ' ' A' ' 29' ' ' LEU . 4.0 mt -73.18 -38.57 55.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -148.89 108.05 3.47 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -17.56 19.54 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.537 1.809 . . . . 0.0 111.021 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.9 ptpt -83.26 1.69 39.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.518 ' HB3' ' HB3' ' A' ' 77' ' ' ALA . 4.1 tppt? -68.31 76.63 0.26 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -52.44 -36.2 54.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.271 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 54.5 tt0 -64.07 -50.05 69.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.112 . . . . 0.0 110.25 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.518 ' HB3' ' HB3' ' A' ' 74' ' ' LYS . . . -54.89 -34.02 62.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.889 HG11 ' HB2' ' A' ' 111' ' ' GLN . 22.4 t -74.56 -53.23 17.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.564 ' NE1' ' ND2' ' A' ' 83' ' ' ASN . 0.9 OUTLIER -57.97 -46.25 85.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 108.041 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.494 ' HB3' ' CZ ' ' A' ' 64' ' ' PHE . 0.8 OUTLIER -50.08 -53.13 29.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 108.302 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.756 HG21 ' CZ ' ' A' ' 108' ' ' PHE . 60.0 mt -51.9 -37.61 21.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -70.04 -41.28 71.51 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.564 ' ND2' ' NE1' ' A' ' 79' ' ' TRP . 1.3 m-80 -64.53 -39.49 93.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 0.798 . . . . 0.0 109.287 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.447 ' HB1' ' CD1' ' A' ' 61' ' ' ILE . . . -64.03 -52.79 57.8 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.493 1.121 . . . . 0.0 109.326 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.559 ' CE2' HD13 ' A' ' 104' ' ' LEU . 6.1 m-85 -60.18 -50.53 73.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 53.4 m -54.99 -46.55 75.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 110.442 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.2 m -67.08 -52.06 46.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.018 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.816 ' HB2' HG21 ' A' ' 57' ' ' ILE . 36.0 t80 -53.38 -31.37 44.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.15 . . . . 0.0 110.995 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.02 -52.15 60.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.29 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -53.87 -22.4 9.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.992 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.894 HD22 ' CG1' ' A' ' 50' ' ' ILE . 9.5 mt -89.58 -28.96 19.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.255 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.402 ' C ' ' OH ' ' A' ' 140' ' ' TYR . 0.9 OUTLIER -86.17 121.31 72.71 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.39 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.602 ' HA ' ' CE2' ' A' ' 140' ' ' TYR . 18.3 Cg_endo -75.0 -27.58 9.89 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.516 1.798 . . . . 0.0 110.962 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -59.95 99.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 -50.96 -47.5 61.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 110.26 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.9 t -52.43 -44.86 65.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 110.334 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -75.55 -51.29 13.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.321 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.581 ' HB1' ' CD2' ' A' ' 136' ' ' HIS . . . -53.37 -52.95 57.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.62 -53.57 56.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -50.58 -39.56 50.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.612 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -65.73 -56.14 13.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.919 ' HB3' ' HB1' ' A' ' 132' ' ' ALA . 9.8 m-85 -51.87 -38.9 57.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.128 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -74.55 -20.07 60.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.559 HD13 ' CE2' ' A' ' 85' ' ' TYR . 0.0 OUTLIER -77.46 -52.03 9.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.614 ' HB1' ' CZ ' ' A' ' 109' ' ' PHE . . . -55.99 -24.48 39.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -61.96 -54.51 40.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 110.44 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.441 ' HG2' HD23 ' A' ' 104' ' ' LEU . 0.0 OUTLIER -58.87 -23.35 60.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.268 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.756 ' CZ ' HG21 ' A' ' 81' ' ' ILE . 10.6 m-85 -80.62 -47.03 14.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.958 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.614 ' CZ ' ' HB1' ' A' ' 105' ' ' ALA . 21.9 m-85 -53.88 -38.73 65.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -53.03 -30.6 36.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.326 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.889 ' HB2' HG11 ' A' ' 78' ' ' VAL . 36.9 mt-30 -81.41 -42.81 19.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.513 ' O ' ' CD2' ' A' ' 122' ' ' TYR . . . -61.02 -50.92 71.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.645 HG12 ' HB3' ' A' ' 122' ' ' TYR . 13.9 m -65.05 -34.77 72.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.9 -42.95 8.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.362 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -75.22 -43.91 49.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 110.303 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 21.3 mm100 -144.16 83.49 10.11 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.27 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.466 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.3 Cg_endo -74.97 -3.44 13.93 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.484 1.781 . . . . 0.0 110.974 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -101.16 -11.76 19.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.276 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -69.85 118.05 12.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.499 ' HA ' HD12 ' A' ' 123' ' ' LEU . 1.8 t -52.78 -40.07 62.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.394 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -58.5 -45.28 89.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.577 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.645 ' HB3' HG12 ' A' ' 113' ' ' VAL . 10.2 m-30 -78.58 -24.47 45.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 111.018 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.987 HD13 ' N ' ' A' ' 124' ' ' LYS . 0.0 OUTLIER -76.29 -50.98 12.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.987 ' N ' HD13 ' A' ' 123' ' ' LEU . 7.7 tptt -51.28 -45.46 62.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.11 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.417 ' O ' HG23 ' A' ' 129' ' ' THR . 0.0 OUTLIER -55.93 -42.17 75.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 0.0 109.966 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 15.6 tp -68.15 -40.1 82.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -68.01 -34.35 76.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.259 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' MET . . . . . 0.437 ' HE2' HD13 ' A' ' 135' ' ' LEU . 3.4 mtp -56.48 -32.12 64.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.675 ' HA ' ' HB2' ' A' ' 132' ' ' ALA . 17.0 p -67.73 -39.69 84.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.398 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -42.02 -29.15 0.21 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.127 . . . . 0.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.412 ' N ' ' C ' ' A' ' 129' ' ' THR . 8.8 mmtt -130.19 39.77 3.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.345 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.919 ' HB1' ' HB3' ' A' ' 102' ' ' PHE . . . -63.8 -51.46 64.77 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' PRO . . . . . 0.761 ' HD3' ' HB3' ' A' ' 132' ' ' ALA . 18.4 Cg_endo -74.98 -25.41 11.93 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.528 1.804 . . . . 0.0 111.008 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' GLN . . . . . 0.465 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 27.7 tp60 -80.52 -51.02 9.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.264 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.719 ' O ' ' HB2' ' A' ' 139' ' ' ALA . 54.0 mt -50.99 -41.93 59.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' HIS . . . . . 0.581 ' CD2' ' HB1' ' A' ' 98' ' ' ALA . 59.2 t-80 -67.29 -44.3 79.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.592 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.516 ' O ' ' CB ' ' A' ' 141' ' ' LYS . . . -62.06 -52.42 63.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.465 ' CG ' ' O ' ' A' ' 134' ' ' GLN . 0.0 OUTLIER -69.2 -27.82 65.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 110.308 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.719 ' HB2' ' O ' ' A' ' 135' ' ' LEU . . . -61.42 -49.19 77.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 140' ' ' TYR . . . . . 0.602 ' CE2' ' HA ' ' A' ' 93' ' ' PRO . 6.2 m-85 -87.16 -41.81 13.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.974 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.516 ' CB ' ' O ' ' A' ' 137' ' ' ALA . 0.0 OUTLIER -55.4 -48.1 74.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -83.91 121.9 27.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 110.323 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.1 63.59 1.79 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.465 HD13 ' C ' ' A' ' 144' ' ' LEU . 1.6 tm? -167.64 107.32 0.56 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 0.755 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -128.97 143.84 14.83 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 151.21 -90.54 0.13 Allowed Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 72.4 m -117.35 163.15 16.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 0.754 . . . . 0.0 109.987 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 11.0 t-160 72.18 108.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.602 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 9.4 p-80 -166.63 61.16 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 109.584 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 2.5 m170 -113.93 145.76 41.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.623 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -103.37 151.48 22.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 109.582 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 72.3 -178.92 0.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.644 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 16.1 p-80 . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 109.636 -179.943 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 145.67 31.87 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.453 1.765 . . . . 0.0 110.977 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 1.7 mt -156.6 124.83 5.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.275 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 100.16 50.83 1.3 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.454 1.096 . . . . 0.0 110.988 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.52 -30.57 64.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 0.782 . . . . 0.0 109.944 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -153.72 179.19 9.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.95 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -66.61 179.63 1.01 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 109.275 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.3 p -89.1 -37.0 15.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.393 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.548 ' O ' ' CB ' ' A' ' 5' ' ' THR . 8.7 mm-40 61.48 130.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.287 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.548 ' CB ' ' O ' ' A' ' 4' ' ' GLU . 0.5 OUTLIER 85.82 -38.75 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.365 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.515 ' CB ' ' O ' ' A' ' 5' ' ' THR . 1.0 OUTLIER 86.81 -43.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 110.263 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.438 ' N ' ' HG2' ' A' ' 6' ' ' GLU . 6.4 m-85 -47.56 -54.63 11.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -47.54 -37.48 12.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.432 ' CG ' ' CE2' ' A' ' 13' ' ' PHE . 12.7 ttm180 -77.7 -33.57 53.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 110.318 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.789 HG23 ' CD2' ' A' ' 44' ' ' LEU . 52.1 mt -62.6 -39.59 85.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.6 mt -63.4 -36.34 83.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.271 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.506 HD12 ' CD1' ' A' ' 16' ' ' ILE . 0.1 OUTLIER -60.85 -52.77 63.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.526 ' HD1' HG23 ' A' ' 40' ' ' VAL . 21.4 m-85 -63.94 -27.98 69.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 111.016 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.467 ' CG ' ' O ' ' A' ' 10' ' ' ILE . 2.0 mm-40 -63.63 -58.35 7.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.322 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.481 ' HG3' ' N ' ' A' ' 16' ' ' ILE . 0.8 OUTLIER -53.09 -31.5 42.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.278 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.506 ' CD1' HD12 ' A' ' 12' ' ' LEU . 21.3 mt -71.39 -52.53 25.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -49.83 -48.46 50.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 110.263 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.433 ' HG3' ' N ' ' A' ' 19' ' ' ASP . 19.3 pt20 -64.81 -43.41 93.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.477 ' O ' ' CB ' ' A' ' 23' ' ' THR . 0.3 OUTLIER -65.48 -38.92 91.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.791 ' HB1' ' HB2' ' A' ' 37' ' ' TRP . . . -73.44 -57.49 3.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.538 ' HG3' ' CZ2' ' A' ' 37' ' ' TRP . 3.2 tt0 -50.59 -49.51 56.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 31.6 t30 -64.49 -47.62 78.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.602 HG21 ' ND2' ' A' ' 33' ' ' ASN . 2.1 m -53.9 -23.85 14.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.138 . . . . 0.0 110.38 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.457 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 8.4 t80 -53.3 -60.17 3.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.985 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.9 -32.45 70.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.9 t -71.75 -31.87 67.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 110.021 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 23' ' ' THR . 5.6 t-20 -152.98 81.92 5.07 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 15.04 0.77 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.518 1.799 . . . . 0.0 110.995 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.759 ' O ' HG21 ' A' ' 70' ' ' ILE . 13.2 mt -131.66 15.68 4.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.334 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.509 ' O ' ' CB ' ' A' ' 34' ' ' LEU . 1.8 m-20 -90.54 99.28 12.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.696 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . . . -68.03 -27.21 66.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.5 -53.77 12.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.602 ' ND2' HG21 ' A' ' 23' ' ' THR . 18.6 t-20 -71.29 -33.45 69.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.133 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 1.02 ' HG ' ' HB2' ' A' ' 67' ' ' ALA . 4.0 tp -66.89 -40.52 87.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.8 m -71.03 -51.57 24.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.381 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.578 ' HD2' ' HB2' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -58.27 -25.04 61.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.333 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.791 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . 14.5 t90 -67.75 -26.93 66.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 107.963 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.584 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -85.1 -57.71 2.21 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.475 1.109 . . . . 0.0 110.983 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -40.26 -43.66 2.78 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.526 HG23 ' HD1' ' A' ' 13' ' ' PHE . 2.8 p -67.36 -47.43 81.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.543 0.79 . . . . 0.0 109.291 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.564 HD22 ' HG2' ' A' ' 56' ' ' MET . 14.0 mt -48.63 -45.24 38.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.356 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.4 mt -65.57 -41.51 92.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.566 ' O ' ' CE1' ' A' ' 47' ' ' PHE . 8.2 mm-40 -59.74 -57.34 13.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 110.333 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.789 ' CD2' HG23 ' A' ' 10' ' ' ILE . 6.8 mt -59.02 -37.3 76.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.4 m -54.21 -21.75 9.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.028 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.613 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -68.06 -7.25 27.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.306 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.613 ' CZ ' ' HB3' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -158.02 47.98 0.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 110.982 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.499 ' NE2' HD22 ' A' ' 44' ' ' LEU . 2.0 m-70 -132.14 8.2 4.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.601 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.476 ' CB ' ' O ' ' A' ' 48' ' ' HIS . 0.3 OUTLIER 83.91 144.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.028 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.97 ' CG1' HD22 ' A' ' 91' ' ' LEU . 0.1 OUTLIER -56.84 -51.6 65.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.528 ' HA ' ' CE ' ' A' ' 54' ' ' LYS . 46.0 t -45.17 -56.6 4.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.997 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.3 -44.38 68.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.488 ' HB3' ' HA ' ' A' ' 50' ' ' ILE . . . -45.15 -55.11 6.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.528 ' CE ' ' HA ' ' A' ' 51' ' ' SER . 4.3 mtmp? -53.75 -47.14 70.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -62.48 -45.29 93.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 110.284 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.564 ' HG2' HD22 ' A' ' 41' ' ' LEU . 8.4 mtp -65.59 -30.28 70.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.824 HG21 ' HB2' ' A' ' 88' ' ' PHE . 38.9 mt -72.53 -49.36 42.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -47.83 -54.27 12.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.329 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.401 ' HA ' ' OG1' ' A' ' 62' ' ' THR . 3.9 pt-20 -65.47 -34.54 78.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.54 -33.42 71.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.441 HG22 ' N ' ' A' ' 62' ' ' THR . 0.5 OUTLIER -75.33 -58.53 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.441 ' N ' HG22 ' A' ' 61' ' ' ILE . 43.1 p -49.63 -25.65 3.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 110.437 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.566 ' HE3' ' CH2' ' A' ' 37' ' ' TRP . 0.2 OUTLIER -74.0 -44.21 55.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.584 ' CE1' ' HA3' ' A' ' 38' ' ' GLY . 22.2 m-85 -63.04 -44.57 95.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -48.51 -55.54 10.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 110.31 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.468 ' HB3' HD21 ' A' ' 34' ' ' LEU . 0.6 OUTLIER -62.23 -35.48 79.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 1.02 ' HB2' ' HG ' ' A' ' 34' ' ' LEU . . . -64.03 -39.3 93.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 109.305 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.576 HD21 HG23 ' A' ' 78' ' ' VAL . 13.1 mt -64.79 -31.53 72.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.425 HD12 ' HA ' ' A' ' 66' ' ' GLU . 0.5 OUTLIER -66.21 -33.77 76.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.822 HD12 ' HA ' ' A' ' 67' ' ' ALA . 5.6 mt -71.6 -41.9 71.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.562 1.163 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -155.06 114.42 2.34 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -4.71 15.81 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.489 1.784 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 75' ' ' ASP . 1.0 OUTLIER -82.55 -6.31 59.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.368 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.437 ' HB3' ' HB3' ' A' ' 77' ' ' ALA . 1.2 tptp -68.3 68.93 0.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.6 OUTLIER -51.91 -34.05 39.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.482 ' HG3' ' CE3' ' A' ' 79' ' ' TRP . 40.0 tt0 -65.62 -46.54 78.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.437 ' HB3' ' HB3' ' A' ' 74' ' ' LYS . . . -52.76 -31.4 38.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.948 HG11 ' HB2' ' A' ' 111' ' ' GLN . 27.7 t -74.51 -53.07 17.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.482 ' CE3' ' HG3' ' A' ' 76' ' ' GLU . 0.5 OUTLIER -59.3 -47.54 84.99 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.533 1.146 . . . . 0.0 108.014 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.576 ' HB3' ' CZ ' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -50.78 -51.68 48.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 108.31 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.807 HG21 ' CZ ' ' A' ' 108' ' ' PHE . 50.6 mt -52.09 -36.6 20.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -73.45 -42.77 40.01 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.48 1.113 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -64.47 -32.13 73.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 0.79 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.621 ' HB1' HG23 ' A' ' 57' ' ' ILE . . . -69.03 -55.16 11.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.415 ' CA ' ' OD1' ' A' ' 101' ' ' ASN . 7.2 m-85 -60.73 -46.3 90.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 90.1 m -55.21 -47.06 75.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 110.408 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.2 t -66.42 -50.65 62.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 110.009 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.824 ' HB2' HG21 ' A' ' 57' ' ' ILE . 10.7 t80 -52.92 -37.07 60.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.438 ' HB1' ' HB1' ' A' ' 98' ' ' ALA . . . -58.35 -50.04 75.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -57.08 -21.55 32.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.976 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.97 HD22 ' CG1' ' A' ' 50' ' ' ILE . 18.6 mt -94.69 -3.28 49.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.551 HG21 ' HB2' ' A' ' 97' ' ' GLU . 1.3 m -98.61 105.71 31.98 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 110.381 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.571 ' HA ' ' CE2' ' A' ' 140' ' ' TYR . 18.3 Cg_endo -75.06 -12.25 21.39 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.485 1.782 . . . . 0.0 111.0 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.632 ' O ' ' CB ' ' A' ' 95' ' ' GLU . 29.6 m-20 -58.66 -48.68 80.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.632 ' CB ' ' O ' ' A' ' 94' ' ' ASP . 2.5 mm-40 97.33 -55.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.6 t -59.32 -41.33 88.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.414 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.551 ' HB2' HG21 ' A' ' 92' ' ' THR . 3.2 mt-10 -74.3 -34.56 63.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.28 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.507 ' CB ' ' NE2' ' A' ' 136' ' ' HIS . . . -69.81 -52.57 23.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.74 -49.91 71.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -57.71 -35.89 71.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.624 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.434 ' HB3' ' HB2' ' A' ' 89' ' ' ALA . 0.3 OUTLIER -68.96 -48.86 62.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.604 ' CD1' ' HB1' ' A' ' 132' ' ' ALA . 6.2 m-85 -51.27 -44.8 61.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.952 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -71.7 -25.68 62.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.474 HD23 ' HA ' ' A' ' 104' ' ' LEU . 0.0 OUTLIER -72.8 -47.45 46.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.334 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.22 -23.92 67.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.9 m -67.34 -54.94 16.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 110.38 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.474 ' HG2' HD23 ' A' ' 104' ' ' LEU . 0.9 OUTLIER -51.72 -24.41 5.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 110.329 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.823 ' HD1' HG13 ' A' ' 78' ' ' VAL . 7.3 m-85 -83.24 -47.8 11.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.979 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.765 ' O ' HG13 ' A' ' 113' ' ' VAL . 15.7 m-85 -54.08 -25.15 20.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.143 . . . . 0.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.06 -30.22 70.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.948 ' HB2' HG11 ' A' ' 78' ' ' VAL . 36.2 mt-30 -81.21 -40.51 23.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.585 ' O ' ' CD2' ' A' ' 122' ' ' TYR . . . -63.57 -50.08 70.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.857 HG12 ' HB3' ' A' ' 122' ' ' TYR . 3.6 m -68.84 -38.46 78.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -44.79 -41.49 7.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.402 ' O ' ' OE1' ' A' ' 116' ' ' GLN . 1.8 mm-40 -75.08 -44.45 47.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 110.312 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.402 ' OE1' ' O ' ' A' ' 115' ' ' GLU . 17.0 mm100 -143.79 82.85 10.9 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.287 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.462 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.4 Cg_endo -75.01 -10.87 21.39 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.513 1.796 . . . . 0.0 111.033 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -91.48 -12.11 35.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -69.9 112.8 6.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.594 ' HA ' HD12 ' A' ' 123' ' ' LEU . 2.2 t -52.73 -22.92 5.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.458 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -70.46 -48.67 54.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.589 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.857 ' HB3' HG12 ' A' ' 113' ' ' VAL . 15.3 m-30 -79.19 -25.67 42.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 1.01 HD13 ' N ' ' A' ' 124' ' ' LYS . 0.0 OUTLIER -69.04 -50.15 51.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.137 . . . . 0.0 109.329 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 1.01 ' N ' HD13 ' A' ' 123' ' ' LEU . 4.2 mptt -50.3 -43.68 53.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.981 ' O ' HG23 ' A' ' 129' ' ' THR . 0.7 OUTLIER -55.48 -41.22 72.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.987 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.432 ' O ' ' OG1' ' A' ' 129' ' ' THR . 3.9 tp -69.49 -35.1 75.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.337 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -68.07 -43.56 78.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -64.67 -45.41 86.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.981 HG23 ' O ' ' A' ' 125' ' ' SER . 40.7 p -53.52 -31.95 48.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.39 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -40.7 -64.02 0.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 109.297 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.494 ' O ' ' CG ' ' A' ' 135' ' ' LEU . 0.4 OUTLIER -95.34 53.15 1.47 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.65 ' HB3' ' HD3' ' A' ' 133' ' ' PRO . . . -66.84 -48.33 52.18 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.343 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' PRO . . . . . 0.65 ' HD3' ' HB3' ' A' ' 132' ' ' ALA . 18.3 Cg_endo -75.03 -27.67 9.76 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.515 1.798 . . . . 0.0 110.954 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' GLN . . . . . 0.465 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 2.0 mm-40 -80.86 -47.1 14.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.295 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.727 ' O ' ' HB2' ' A' ' 139' ' ' ALA . 20.5 mt -52.61 -41.3 63.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 136' ' ' HIS . . . . . 0.507 ' NE2' ' CB ' ' A' ' 98' ' ' ALA . 27.4 t-80 -66.66 -44.7 81.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.616 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.521 ' O ' ' CB ' ' A' ' 141' ' ' LYS . . . -61.62 -53.29 58.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.465 ' CG ' ' O ' ' A' ' 134' ' ' GLN . 0.0 OUTLIER -68.99 -26.76 65.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.275 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.727 ' HB2' ' O ' ' A' ' 135' ' ' LEU . . . -59.11 -51.5 69.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' TYR . . . . . 0.571 ' CE2' ' HA ' ' A' ' 93' ' ' PRO . 8.0 m-85 -88.17 -42.92 12.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.989 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.521 ' CB ' ' O ' ' A' ' 137' ' ' ALA . 0.0 OUTLIER -55.99 -47.75 77.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 142' ' ' GLN . . . . . 0.401 ' CB ' ' O ' ' A' ' 138' ' ' GLU . 3.2 tt0 -84.37 125.46 32.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 110.331 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -109.99 -121.29 4.31 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.459 1.099 . . . . 0.0 111.009 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.02 -69.24 0.62 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 0.753 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -59.05 150.79 35.83 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.531 1.144 . . . . 0.0 110.989 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -90.27 -178.09 44.42 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 3.9 m -119.6 96.91 5.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 0.786 . . . . 0.0 110.003 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -146.23 -61.6 0.31 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.561 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 63.4 t60 -61.72 -61.1 2.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.595 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 30.5 p80 -107.97 106.35 16.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.621 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -159.7 -62.16 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.623 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -53.96 132.8 42.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.595 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 77.4 m-70 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.591 -179.945 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -3' ' ' PRO . . . . . 0.412 ' O ' ' N ' ' A' ' -1' ' ' GLY . 18.4 Cg_endo -74.97 -44.65 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.456 1.767 . . . . 0.0 111.035 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 68.86 -70.01 0.14 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' -1' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' -3' ' ' PRO . . . 138.09 74.85 0.06 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.555 1.159 . . . . 0.0 111.012 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.5 -31.54 62.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 0.775 . . . . 0.0 110.039 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -76.03 119.42 19.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.964 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -87.7 -60.65 1.91 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.56 1.162 . . . . 0.0 109.298 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 82.1 p -132.98 174.53 10.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 110.38 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -179.66 -155.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.338 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.541 ' O ' ' CG ' ' A' ' 6' ' ' GLU . 8.5 m -87.01 6.93 29.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 110.408 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.696 ' OE2' HD11 ' A' ' 10' ' ' ILE . 0.0 OUTLIER 88.18 -23.06 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.428 ' O ' ' N ' ' A' ' 10' ' ' ILE . 23.3 m-85 -65.65 -55.2 18.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 111.028 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.03 -32.54 6.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.442 ' CG ' ' CE2' ' A' ' 13' ' ' PHE . 8.3 ttm180 -75.5 -34.99 60.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.34 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.726 HG23 ' CD2' ' A' ' 44' ' ' LEU . 35.1 mt -57.53 -43.43 83.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.346 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.494 HD23 ' N ' ' A' ' 11' ' ' LEU . 3.4 mt -57.01 -41.37 78.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.539 HD12 ' CD1' ' A' ' 16' ' ' ILE . 0.1 OUTLIER -58.78 -51.52 69.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.635 ' HB3' HG22 ' A' ' 40' ' ' VAL . 14.9 m-85 -63.73 -37.31 86.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 111.015 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.55 ' HG2' HD21 ' A' ' 44' ' ' LEU . 3.3 mm-40 -58.67 -58.36 8.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.108 . . . . 0.0 110.277 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.443 ' CG ' ' O ' ' A' ' 12' ' ' LEU . 5.5 pt20 -51.87 -29.06 18.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.266 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.539 ' CD1' HD12 ' A' ' 12' ' ' LEU . 7.9 mt -71.73 -53.08 21.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 109.342 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.4 ttt180 -49.06 -59.37 3.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.429 ' HG3' ' O ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -53.49 -37.72 62.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.404 ' HB2' ' O ' ' A' ' 15' ' ' GLN . 0.1 OUTLIER -68.46 -38.58 81.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.695 ' HB1' ' CG ' ' A' ' 37' ' ' TRP . . . -56.96 -41.34 78.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.627 ' HG2' ' CZ2' ' A' ' 37' ' ' TRP . 1.4 mt-10 -66.53 -39.42 88.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.32 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.418 ' N ' ' ND2' ' A' ' 22' ' ' ASN . 0.8 OUTLIER -74.72 -32.75 62.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.239 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.732 HG21 ' CG ' ' A' ' 33' ' ' ASN . 21.4 m -66.71 -23.18 66.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.418 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.475 ' O ' ' N ' ' A' ' 28' ' ' PRO . 0.0 OUTLIER -65.38 -62.96 1.22 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 110.975 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.32 -23.45 62.48 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.06 -25.67 25.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 110.008 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.494 ' C ' ' H ' ' A' ' 29' ' ' LEU . 2.6 t-20 -169.55 79.38 0.67 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.475 ' N ' ' O ' ' A' ' 24' ' ' TYR . 18.2 Cg_endo -74.99 20.78 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.514 1.797 . . . . 0.0 111.004 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.685 ' O ' HG21 ' A' ' 70' ' ' ILE . 13.0 mt -131.71 14.2 4.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.409 ' O ' ' HB2' ' A' ' 34' ' ' LEU . 1.0 OUTLIER -90.64 98.03 11.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.718 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . . . -69.77 -30.38 67.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -60.76 -54.59 43.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.252 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.732 ' CG ' HG21 ' A' ' 23' ' ' THR . 0.4 OUTLIER -71.24 -42.68 68.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.904 HD21 ' HB3' ' A' ' 66' ' ' GLU . 0.3 OUTLIER -51.05 -56.05 14.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.245 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 m -58.7 -34.58 71.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.401 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.437 ' CZ ' HD13 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -70.51 -26.16 63.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.113 . . . . 0.0 110.321 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.695 ' CG ' ' HB1' ' A' ' 20' ' ' ALA . 4.5 t90 -61.48 -26.73 68.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 107.98 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.599 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -83.66 -59.45 2.11 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.553 1.158 . . . . 0.0 110.961 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 38' ' ' GLY . . . -36.15 -46.07 0.94 Allowed Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.635 HG22 ' HB3' ' A' ' 13' ' ' PHE . 1.1 p -67.22 -49.61 70.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.511 0.771 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.497 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 12.1 mt -49.7 -44.16 47.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.0 mt -65.39 -38.34 89.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.494 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 8.0 mm-40 -63.53 -58.72 6.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.726 ' CD2' HG23 ' A' ' 10' ' ' ILE . 16.5 mt -62.03 -27.35 68.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.2 m -61.8 -35.01 76.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.977 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.432 ' HG2' ' N ' ' A' ' 47' ' ' PHE . 5.8 pt20 -61.57 -37.71 84.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.292 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.625 ' CZ ' ' CE1' ' A' ' 48' ' ' HIS . 0.0 OUTLIER -80.24 -30.88 38.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 111.017 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.625 ' CE1' ' CZ ' ' A' ' 47' ' ' PHE . 2.2 m170 -78.97 143.37 35.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.582 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.6 m -51.17 160.5 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.086 . . . . 0.0 110.037 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.569 ' HA ' ' HB3' ' A' ' 53' ' ' ALA . 0.1 OUTLIER -55.37 -48.02 77.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.1 p -44.56 -53.63 6.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 110.052 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -75.23 -38.34 60.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.569 ' HB3' ' HA ' ' A' ' 50' ' ' ILE . . . -46.61 -54.54 9.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.432 ' CD ' HG23 ' A' ' 50' ' ' ILE . 0.5 OUTLIER -50.68 -57.78 7.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -51.63 -49.25 62.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 85.6 mtp -60.94 -38.92 87.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 111.003 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.857 HG21 ' HB2' ' A' ' 88' ' ' PHE . 8.9 mt -68.02 -55.51 16.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.404 ' O ' ' HB ' ' A' ' 61' ' ' ILE . 2.1 mm100 -49.13 -46.42 45.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.581 ' HG3' ' HZ2' ' A' ' 63' ' ' LYS . 2.7 tp10 -66.59 -39.19 88.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.94 -31.63 70.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.661 HD12 ' O ' ' A' ' 57' ' ' ILE . 0.9 OUTLIER -62.39 -49.69 82.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.15 . . . . 0.0 109.312 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.493 ' OG1' ' O ' ' A' ' 59' ' ' GLU . 27.6 p -53.99 -42.88 69.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.164 . . . . 0.0 110.376 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.581 ' HZ2' ' HG3' ' A' ' 59' ' ' GLU . 11.7 mmtm -49.49 -56.0 11.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.599 ' CE1' ' HA3' ' A' ' 38' ' ' GLY . 14.6 m-85 -57.65 -44.58 85.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -47.96 -53.92 14.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.275 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.904 ' HB3' HD21 ' A' ' 34' ' ' LEU . 2.6 tp10 -65.04 -35.19 80.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.269 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.754 ' HB2' ' HG ' ' A' ' 34' ' ' LEU . . . -64.95 -45.42 85.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.689 HD21 HG23 ' A' ' 78' ' ' VAL . 10.5 mt -60.09 -31.69 70.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.617 HD12 ' HA ' ' A' ' 66' ' ' GLU . 1.1 mt -64.24 -43.53 94.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.718 ' HB ' ' HB2' ' A' ' 31' ' ' ALA . 6.1 mt -64.04 -44.42 97.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -150.6 112.74 3.2 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -6.9 18.65 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.504 1.791 . . . . 0.0 110.973 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 75' ' ' ASP . 31.1 mttt -82.75 -5.72 59.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.48 ' HB3' ' HB3' ' A' ' 77' ' ' ALA . 8.9 tptp -65.23 75.21 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.341 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 73' ' ' LYS . 2.5 p30 -52.09 -33.78 40.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.442 ' HG3' ' CE3' ' A' ' 79' ' ' TRP . 37.4 tt0 -66.45 -47.87 71.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.48 ' HB3' ' HB3' ' A' ' 74' ' ' LYS . . . -52.36 -32.3 37.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.943 HG11 ' HB2' ' A' ' 111' ' ' GLN . 27.8 t -74.6 -53.45 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.488 ' HD1' ' HG ' ' A' ' 125' ' ' SER . 0.5 OUTLIER -58.32 -46.91 85.27 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.597 ' SG ' ' CZ ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -51.07 -51.38 53.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 108.302 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.559 HG21 ' CZ ' ' A' ' 108' ' ' PHE . 49.4 mt -51.99 -39.75 26.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -70.87 -39.67 64.59 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.485 1.116 . . . . 0.0 110.986 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -64.64 -32.25 73.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 0.795 . . . . 0.0 109.329 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.565 ' HB1' ' CD1' ' A' ' 61' ' ' ILE . . . -70.02 -55.6 9.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.498 ' CE1' HG12 ' A' ' 61' ' ' ILE . 12.0 m-85 -59.14 -41.94 89.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 111.017 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 55.4 m -57.46 -48.26 79.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.403 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.4 m -65.89 -52.24 51.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.036 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.857 ' HB2' HG21 ' A' ' 57' ' ' ILE . 53.6 t80 -51.46 -40.33 59.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.98 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.654 ' HB1' ' CD2' ' A' ' 102' ' ' PHE . . . -56.08 -49.74 72.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.402 ' O ' ' OH ' ' A' ' 140' ' ' TYR . 38.8 m-85 -58.52 -18.64 30.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 111.044 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.553 HD22 ' CG1' ' A' ' 50' ' ' ILE . 8.3 mt -92.02 -25.55 18.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.63 120.01 64.17 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 110.432 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.436 ' HA ' ' CE2' ' A' ' 140' ' ' TYR . 18.3 Cg_endo -75.0 -23.21 14.03 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.477 1.777 . . . . 0.0 110.988 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.66 89.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 93' ' ' PRO . 91.4 mt-10 -41.51 -47.31 3.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.4 m -52.62 -54.69 29.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.432 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -68.51 -50.18 54.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.319 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -52.69 -54.03 39.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.98 -53.09 61.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -49.45 -45.64 46.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.583 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -68.86 -50.67 47.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.088 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.742 ' HD1' ' HB1' ' A' ' 132' ' ' ALA . 1.8 m-85 -52.83 -41.36 64.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.972 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.58 -20.91 59.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.538 HD23 ' HG2' ' A' ' 107' ' ' GLN . 0.1 OUTLIER -73.07 -46.66 50.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -58.7 -29.43 66.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 109.269 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.496 ' OG1' ' CG2' ' A' ' 129' ' ' THR . 20.3 m -61.77 -56.29 21.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 110.398 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.538 ' HG2' HD23 ' A' ' 104' ' ' LEU . 1.8 pt20 -54.66 -23.25 16.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.287 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.778 ' HD1' HG13 ' A' ' 78' ' ' VAL . 7.3 m-85 -83.3 -49.23 9.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 110.973 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.553 ' CE2' ' OG1' ' A' ' 129' ' ' THR . 20.5 m-85 -55.24 -20.1 10.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 111.007 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -73.9 -26.51 60.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.943 ' HB2' HG11 ' A' ' 78' ' ' VAL . 38.6 mt-30 -81.45 -42.95 19.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 110.283 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -50.76 -52.08 44.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.35 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.774 HG12 ' HB3' ' A' ' 122' ' ' TYR . 5.7 m -67.0 -37.53 79.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -45.32 -47.5 13.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -68.73 -40.43 79.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.312 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -157.29 90.01 2.47 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.297 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.443 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.3 Cg_endo -75.01 -3.15 13.5 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.479 1.778 . . . . 0.0 110.996 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.8 -11.99 52.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -68.41 116.81 9.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.332 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.407 HG23 ' H ' ' A' ' 120' ' ' THR . 37.7 p -56.52 -46.37 80.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.413 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 8.1 m80 -51.42 -59.48 4.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.591 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.774 ' HB3' HG12 ' A' ' 113' ' ' VAL . 10.9 m-30 -51.92 -33.61 37.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.924 ' O ' HD22 ' A' ' 123' ' ' LEU . 0.0 OUTLIER -65.99 -49.24 68.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.699 ' N ' HD13 ' A' ' 123' ' ' LEU . 13.6 tptt -63.62 -46.03 87.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.249 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.488 ' HG ' ' HD1' ' A' ' 79' ' ' TRP . 0.1 OUTLIER -57.24 -45.12 84.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 110.014 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 31.2 tp -72.13 -39.51 68.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.253 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.59 -46.93 83.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 110.359 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 6.0 mmm -63.74 -36.12 82.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.553 ' OG1' ' CE2' ' A' ' 109' ' ' PHE . 0.9 OUTLIER -59.78 -23.82 63.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.425 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -41.95 -59.06 1.84 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.095 . . . . 0.0 109.358 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.585 ' O ' HD12 ' A' ' 135' ' ' LEU . 1.8 mptm? -95.76 47.63 1.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 109.273 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.742 ' HB1' ' HD1' ' A' ' 102' ' ' PHE . . . -63.28 -49.93 77.19 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' PRO . . . . . 0.709 ' HD3' ' HB3' ' A' ' 132' ' ' ALA . 18.3 Cg_endo -75.02 -27.28 10.11 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.501 1.79 . . . . 0.0 110.989 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -78.37 -48.14 16.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.15 . . . . 0.0 110.327 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.661 ' O ' ' HB2' ' A' ' 139' ' ' ALA . 7.1 mt -48.45 -38.1 18.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.264 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' HIS . . . . . 0.602 ' CD2' ' CE1' ' A' ' 140' ' ' TYR . 31.2 t-80 -69.35 -44.34 71.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.618 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.536 ' O ' ' CB ' ' A' ' 141' ' ' LYS . . . -61.79 -51.8 66.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.25 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.493 ' CG ' ' HA ' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -68.98 -27.46 65.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 110.312 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.661 ' HB2' ' O ' ' A' ' 135' ' ' LEU . . . -69.1 -49.88 53.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 140' ' ' TYR . . . . . 0.602 ' CE1' ' CD2' ' A' ' 136' ' ' HIS . 5.8 m-85 -80.14 -33.04 38.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 110.945 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.536 ' CB ' ' O ' ' A' ' 137' ' ' ALA . 0.0 OUTLIER -67.61 -48.04 67.94 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -85.75 124.89 32.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.113 . . . . 0.0 110.315 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 162.74 -83.15 0.12 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.516 1.135 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -66.29 146.67 54.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 0.781 . . . . 0.0 109.314 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -44.73 122.69 5.0 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.487 1.117 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 156.38 148.82 5.18 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 23.1 t -162.5 118.64 1.93 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 0.752 . . . . 0.0 110.037 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 14.2 p-80 -167.09 159.28 12.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.615 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -172.08 157.9 4.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.147 . . . . 0.0 109.625 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -133.39 169.45 16.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.571 1.169 . . . . 0.0 109.636 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -142.76 161.91 36.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.607 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 4.6 p-80 -161.12 137.44 8.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.607 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 17.3 t-160 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.601 -179.99 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -3' ' ' PRO . . . . . 0.528 ' O ' HD12 ' A' ' -2' ' ' LEU . 18.2 Cg_endo -75.04 171.65 17.9 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.511 1.795 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' -2' ' ' LEU . . . . . 0.528 HD12 ' O ' ' A' ' -3' ' ' PRO . 0.0 OUTLIER -172.61 -68.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 109.303 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 156.45 -81.55 0.16 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.452 1.095 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 90.5 p -78.39 -36.25 46.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 0.776 . . . . 0.0 109.958 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 68.21 -65.82 0.25 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -163.77 -176.77 4.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 109.284 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.0 t -144.15 175.56 9.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.43 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.411 ' O ' ' N ' ' A' ' 6' ' ' GLU . 4.1 mt-10 62.17 170.89 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.284 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.829 HG22 ' CD2' ' A' ' 7' ' ' PHE . 0.2 OUTLIER 69.38 -59.71 0.48 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.385 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.579 ' OE2' HD11 ' A' ' 10' ' ' ILE . 0.0 OUTLIER 89.83 -23.55 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.331 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.829 ' CD2' HG22 ' A' ' 5' ' ' THR . 22.1 m-85 -66.04 -54.26 28.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 111.014 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -47.94 -32.12 6.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.337 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.8 ttm180 -76.64 -31.86 57.63 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.529 1.143 . . . . 0.0 110.291 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.579 HD11 ' OE2' ' A' ' 6' ' ' GLU . 59.0 mt -60.53 -43.5 94.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.494 HD23 ' N ' ' A' ' 11' ' ' LEU . 5.2 mt -55.46 -44.27 76.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.451 1.094 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.563 HD12 ' CD1' ' A' ' 16' ' ' ILE . 0.1 OUTLIER -55.26 -52.28 63.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.784 ' HB2' HD21 ' A' ' 44' ' ' LEU . 18.6 m-85 -64.02 -36.18 83.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.127 . . . . 0.0 110.996 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -56.01 -60.0 4.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.329 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.452 ' CG ' ' O ' ' A' ' 12' ' ' LEU . 8.2 pt20 -51.22 -31.33 20.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 110.312 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.563 ' CD1' HD12 ' A' ' 12' ' ' LEU . 22.4 mt -71.7 -51.68 30.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 -48.72 -58.2 5.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.315 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.451 ' NE2' ' HA ' ' A' ' 15' ' ' GLN . 0.1 OUTLIER -59.5 -39.31 83.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.268 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.466 ' O ' ' CB ' ' A' ' 23' ' ' THR . 0.3 OUTLIER -65.6 -40.74 93.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.983 ' HB1' ' HB2' ' A' ' 37' ' ' TRP . . . -73.56 -56.83 4.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.342 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.555 ' HG3' ' CZ2' ' A' ' 37' ' ' TRP . 8.8 tt0 -50.61 -50.15 54.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.436 1.085 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.6 t30 -64.12 -45.97 86.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.696 HG21 ' CG ' ' A' ' 33' ' ' ASN . 2.2 m -56.29 -24.47 43.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.118 . . . . 0.0 110.393 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.451 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 7.6 t80 -52.51 -60.04 3.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.979 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.64 -28.4 68.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.78 -31.41 68.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.016 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 23' ' ' THR . 1.2 t-20 -168.95 87.8 0.63 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 109.335 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 0.2 9.21 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.453 1.765 . . . . 0.0 110.975 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.79 ' O ' HG21 ' A' ' 70' ' ' ILE . 11.3 mt -93.47 -20.15 20.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.494 ' O ' ' CB ' ' A' ' 34' ' ' LEU . 11.4 t0 -64.84 99.62 0.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.748 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . . . -71.6 -28.14 63.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.76 -55.83 10.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.696 ' CG ' HG21 ' A' ' 23' ' ' THR . 25.3 t-20 -68.84 -34.58 75.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.957 HD21 ' HB3' ' A' ' 66' ' ' GLU . 0.2 OUTLIER -62.66 -56.29 19.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.1 m -58.9 -45.59 89.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.394 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -56.16 -42.66 77.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.281 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.983 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . 12.8 t90 -48.64 -26.58 2.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 107.991 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.497 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -83.95 -59.47 2.08 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.462 1.101 . . . . 0.0 110.997 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 38' ' ' GLY . . . -36.56 -45.84 1.03 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.5 HG22 ' HB3' ' A' ' 13' ' ' PHE . 0.4 OUTLIER -67.41 -48.62 76.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.551 0.795 . . . . 0.0 109.287 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.486 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 16.5 mt -48.21 -44.71 33.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 15.3 mt -65.56 -37.35 86.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.117 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -65.79 -58.91 4.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 110.293 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.784 HD21 ' HB2' ' A' ' 13' ' ' PHE . 67.3 mt -61.86 -27.03 68.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.0 -39.17 71.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.125 . . . . 0.0 110.003 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.509 ' HG2' ' N ' ' A' ' 47' ' ' PHE . 1.1 pt20 -67.9 -32.36 72.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.34 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.509 ' N ' ' HG2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -80.56 -22.11 41.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 111.053 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 6.2 m170 -80.01 -101.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.579 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 53.9 p -179.15 150.38 0.45 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.04 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.88 ' CG1' HD22 ' A' ' 91' ' ' LEU . 0.1 OUTLIER -45.4 -35.22 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 42.9 t -55.22 -56.73 16.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.967 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -81.69 -37.54 27.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.64 ' HB3' ' HA ' ' A' ' 50' ' ' ILE . . . -45.47 -52.16 10.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.469 ' CD ' HG23 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -49.49 -57.52 6.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.581 1.175 . . . . 0.0 109.274 -179.929 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -60.77 -45.04 95.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.325 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.436 ' HE3' ' O ' ' A' ' 41' ' ' LEU . 1.2 mmm -59.72 -34.05 72.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.974 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.819 HG21 ' HB2' ' A' ' 88' ' ' PHE . 26.8 mt -72.61 -47.0 52.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 109.289 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.476 ' O ' HG23 ' A' ' 62' ' ' THR . 2.8 mt-30 -48.38 -54.04 15.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.315 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.442 ' CG ' HD13 ' A' ' 41' ' ' LEU . 3.8 pt-20 -65.73 -35.57 81.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.309 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.425 ' N ' ' HG2' ' A' ' 59' ' ' GLU . . . -59.57 -29.14 67.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.565 HG12 ' CE1' ' A' ' 85' ' ' TYR . 0.5 OUTLIER -76.26 -57.71 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.476 HG23 ' O ' ' A' ' 58' ' ' GLN . 58.5 p -49.89 -23.84 2.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.422 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.557 ' HE3' ' CH2' ' A' ' 37' ' ' TRP . 0.1 OUTLIER -73.13 -51.06 19.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.497 ' CE1' ' HA3' ' A' ' 38' ' ' GLY . 17.1 m-85 -58.67 -42.36 88.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.58 -55.82 10.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.28 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.957 ' HB3' HD21 ' A' ' 34' ' ' LEU . 4.9 tt0 -60.67 -40.89 93.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.298 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.949 ' HB2' ' HG ' ' A' ' 34' ' ' LEU . . . -62.47 -37.88 87.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.611 HD21 HG23 ' A' ' 78' ' ' VAL . 5.6 mt -66.03 -28.68 69.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.439 HD12 ' HA ' ' A' ' 66' ' ' GLU . 0.6 OUTLIER -69.43 -41.62 76.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.79 HG21 ' O ' ' A' ' 29' ' ' LEU . 4.5 mt -64.8 -39.42 85.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -150.03 108.24 3.23 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -11.07 21.4 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.48 1.779 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.3 ptmm? -89.03 2.97 53.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.7 tptp -74.0 84.26 1.76 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.448 ' N ' ' OD1' ' A' ' 75' ' ' ASP . 0.3 OUTLIER -53.95 -38.06 64.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.482 ' HG3' ' CE3' ' A' ' 79' ' ' TRP . 1.7 tp10 -57.69 -51.82 67.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.27 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.443 ' CB ' ' HG ' ' A' ' 68' ' ' LEU . . . -53.08 -32.9 49.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.328 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.986 HG11 ' HB2' ' A' ' 111' ' ' GLN . 28.1 t -74.69 -53.24 17.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.482 ' CE3' ' HG3' ' A' ' 76' ' ' GLU . 0.4 OUTLIER -59.01 -45.5 90.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 107.998 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.494 ' HB3' ' CZ ' ' A' ' 64' ' ' PHE . 0.6 OUTLIER -50.43 -54.12 24.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 0.0 108.325 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.506 ' CD1' HD12 ' A' ' 68' ' ' LEU . 77.1 mt -51.88 -43.3 35.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -68.15 -39.73 88.35 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.519 1.137 . . . . 0.0 111.028 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 52.1 t-20 -64.5 -36.02 82.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.423 0.72 . . . . 0.0 109.309 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.581 ' HB1' HG23 ' A' ' 57' ' ' ILE . . . -68.89 -55.38 11.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.565 ' CE1' HG12 ' A' ' 61' ' ' ILE . 16.6 m-30 -54.25 -47.03 72.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 7.7 m -54.69 -53.07 59.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 110.4 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.403 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 11.3 t -62.36 -52.93 61.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.983 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.819 ' HB2' HG21 ' A' ' 57' ' ' ILE . 35.9 t80 -51.76 -33.3 34.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.661 ' HB1' ' CE2' ' A' ' 102' ' ' PHE . . . -64.1 -50.17 69.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.412 ' O ' ' OH ' ' A' ' 140' ' ' TYR . 32.3 m-85 -54.14 -19.0 4.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.987 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.88 HD22 ' CG1' ' A' ' 50' ' ' ILE . 0.9 OUTLIER -94.53 -21.29 18.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.321 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.412 ' N ' ' O ' ' A' ' 89' ' ' ALA . 0.9 OUTLIER -96.89 116.21 65.99 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.45 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.441 ' O ' ' N ' ' A' ' 95' ' ' GLU . 18.4 Cg_endo -74.96 -24.38 12.98 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.506 1.793 . . . . 0.0 111.042 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -58.86 86.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 93' ' ' PRO . 45.4 mt-10 -40.21 -46.84 2.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 110.306 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.496 HG23 ' N ' ' A' ' 97' ' ' GLU . 14.8 t -52.7 -53.26 50.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 110.386 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.496 ' N ' HG23 ' A' ' 96' ' ' THR . 6.4 mt-10 -70.61 -50.38 37.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 110.284 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -53.09 -54.41 35.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.2 ttmm -59.93 -47.2 86.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -53.01 -40.72 64.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.597 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.401 ' O ' ' N ' ' A' ' 104' ' ' LEU . 0.8 OUTLIER -73.2 -53.95 9.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.815 ' HD1' ' HB1' ' A' ' 132' ' ' ALA . 5.6 m-85 -50.95 -40.21 56.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.4 ' O ' ' HB ' ' A' ' 106' ' ' THR . 1.5 m-20 -74.76 -19.39 60.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.542 HD22 ' HE2' ' A' ' 108' ' ' PHE . 0.3 OUTLIER -77.76 -53.27 7.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -51.53 -25.96 7.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.528 ' OG1' ' CG2' ' A' ' 129' ' ' THR . 2.8 m -62.52 -55.04 31.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.434 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -54.95 -25.01 26.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.128 . . . . 0.0 110.311 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.797 ' HD1' HG13 ' A' ' 78' ' ' VAL . 20.3 m-85 -82.33 -46.36 13.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.998 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.5 ' HB3' HD13 ' A' ' 126' ' ' LEU . 7.7 m-85 -53.99 -28.31 37.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.951 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -71.87 -24.67 61.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.986 ' HB2' HG11 ' A' ' 78' ' ' VAL . 33.6 mt-30 -81.0 -36.0 31.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 110.333 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.43 -52.45 64.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.539 HG12 ' HB3' ' A' ' 122' ' ' TYR . 6.1 m -65.49 -37.23 79.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -45.3 -52.7 9.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -65.44 -43.9 89.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.265 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -153.64 91.01 3.31 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.29 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.473 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.1 Cg_endo -75.07 -4.46 15.42 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.47 1.774 . . . . 0.0 110.97 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.58 -12.2 52.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.31 115.16 4.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 72.4 p -57.64 -38.29 74.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.414 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 5.9 m80 -58.21 -59.55 5.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.594 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.539 ' HB3' HG12 ' A' ' 113' ' ' VAL . 11.8 m-30 -53.18 -37.32 61.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.989 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.942 ' O ' HD22 ' A' ' 123' ' ' LEU . 0.0 OUTLIER -60.3 -48.1 83.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.682 ' N ' HD13 ' A' ' 123' ' ' LEU . 0.2 OUTLIER -65.74 -39.29 90.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.422 ' O ' ' OG1' ' A' ' 129' ' ' THR . 0.7 OUTLIER -60.01 -54.49 45.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.962 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.5 HD13 ' HB3' ' A' ' 109' ' ' PHE . 21.0 tp -65.22 -46.43 80.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -50.44 -47.05 56.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.295 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 2.9 mtp -68.38 -28.51 67.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.95 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.528 ' CG2' ' OG1' ' A' ' 106' ' ' THR . 25.8 m -61.37 -22.5 65.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.362 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -51.28 -42.77 61.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.431 1.082 . . . . 0.0 109.303 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.444 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 0.1 OUTLIER -113.86 41.39 2.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.815 ' HB1' ' HD1' ' A' ' 102' ' ' PHE . . . -59.93 -53.56 64.08 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' PRO . . . . . 0.79 ' HD3' ' HB3' ' A' ' 132' ' ' ALA . 18.3 Cg_endo -74.96 -21.33 16.06 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.488 1.783 . . . . 0.0 111.013 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 64.7 tp60 -80.46 -49.43 11.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.28 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.634 ' O ' ' HB2' ' A' ' 139' ' ' ALA . 6.9 mt -49.77 -42.92 47.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' HIS . . . . . 0.59 ' HB2' ' CE2' ' A' ' 102' ' ' PHE . 6.7 t-80 -66.63 -42.99 85.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 109.633 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.439 ' O ' ' HB2' ' A' ' 141' ' ' LYS . . . -62.05 -53.58 53.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.457 ' CG ' ' HA ' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -67.77 -37.02 81.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.303 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.634 ' HB2' ' O ' ' A' ' 135' ' ' LEU . . . -57.47 -36.81 71.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.423 1.077 . . . . 0.0 109.286 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 140' ' ' TYR . . . . . 0.473 ' CD1' ' O ' ' A' ' 136' ' ' HIS . 3.9 m-85 -88.25 -42.57 12.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 111.014 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.439 ' HB2' ' O ' ' A' ' 137' ' ' ALA . 0.0 OUTLIER -62.44 -47.9 82.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.23 104.13 12.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 110.323 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 108.22 135.53 7.61 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.518 1.136 . . . . 0.0 110.957 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.465 HD22 ' HA ' ' A' ' 144' ' ' LEU . 0.3 OUTLIER 78.85 -68.46 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 0.796 . . . . 0.0 109.307 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -60.34 104.7 0.65 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.471 1.107 . . . . 0.0 110.991 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -74.31 -164.04 10.49 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 49.2 86.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 0.764 . . . . 0.0 109.987 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 45.6 p-80 -131.5 172.05 12.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.085 . . . . 0.0 109.576 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -154.19 87.54 1.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.593 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -94.22 120.7 34.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.603 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -116.24 169.18 9.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.093 . . . . 0.0 109.607 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 5.2 t-160 63.53 149.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.607 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 14.9 t60 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.562 -179.943 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 171.25 18.68 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.501 1.79 . . . . 0.0 110.981 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 3.6 mp -151.02 -65.85 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 64.42 -145.71 49.77 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.519 1.137 . . . . 0.0 111.034 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 0' ' ' SER . . . . . 0.475 ' HB2' ' CG2' ' A' ' 3' ' ' THR . 68.0 m -73.04 -31.96 64.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 0.756 . . . . 0.0 109.988 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 72.71 -56.62 0.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.979 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -77.52 55.51 1.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.275 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.475 ' CG2' ' HB2' ' A' ' 0' ' ' SER . 77.8 p -103.09 -21.19 13.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.363 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -153.2 131.07 11.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 110.292 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 53.4 m -63.92 -54.53 33.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.425 1.078 . . . . 0.0 110.389 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 173.58 -48.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.334 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.523 ' HA ' HD12 ' A' ' 10' ' ' ILE . 21.8 m-85 -46.07 -54.92 7.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 111.006 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -47.63 -42.47 24.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.463 ' HG2' ' CE2' ' A' ' 13' ' ' PHE . 13.7 ttm180 -71.48 -34.76 70.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.088 . . . . 0.0 110.289 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.764 HG23 ' CD2' ' A' ' 44' ' ' LEU . 90.5 mt -58.97 -45.33 92.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.2 mt -57.12 -34.72 68.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.127 . . . . 0.0 109.261 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.742 ' CD1' HD11 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -66.67 -49.09 67.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.268 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.687 ' HA ' HD12 ' A' ' 16' ' ' ILE . 11.4 m-85 -63.89 -34.67 78.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -55.74 -51.94 65.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 110.328 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.523 ' HG3' ' N ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -63.17 -28.06 69.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.302 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.742 HD11 ' CD1' ' A' ' 12' ' ' LEU . 72.6 mt -71.5 -53.44 20.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.373 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.563 ' HE ' HD21 ' A' ' 41' ' ' LEU . 3.4 ttt180 -55.14 -35.62 64.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 110.326 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.411 ' O ' ' HB3' ' A' ' 22' ' ' ASN . 6.2 tt0 -69.36 -53.89 17.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.297 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.492 ' O ' ' OD1' ' A' ' 22' ' ' ASN . 0.2 OUTLIER -65.01 -31.75 73.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.565 ' HB1' ' HB2' ' A' ' 37' ' ' TRP . . . -73.61 -46.12 48.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.585 ' HG3' ' CZ2' ' A' ' 37' ' ' TRP . 12.0 tt0 -66.67 -46.26 76.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.3 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.492 ' OD1' ' O ' ' A' ' 19' ' ' ASP . 0.2 OUTLIER -64.97 -42.62 94.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.691 HG21 ' CG ' ' A' ' 33' ' ' ASN . 2.0 m -55.99 -25.06 42.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.425 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -53.05 -60.01 3.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 110.955 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.26 -27.73 69.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.58 -36.16 73.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.049 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -169.47 89.98 0.57 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.329 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 0.63 8.65 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.486 1.782 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.811 ' O ' HG21 ' A' ' 70' ' ' ILE . 10.3 mt -93.54 -19.65 21.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.342 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.41 ' O ' ' CB ' ' A' ' 34' ' ' LEU . 0.5 OUTLIER -65.49 101.85 0.64 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.746 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . . . -72.88 -22.39 60.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -69.85 -56.07 8.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.691 ' CG ' HG21 ' A' ' 23' ' ' THR . 24.1 t-20 -70.81 -35.89 72.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.947 ' HG ' ' HB2' ' A' ' 67' ' ' ALA . 0.7 OUTLIER -61.33 -51.65 67.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.0 m -63.56 -33.06 74.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.402 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.46 -41.84 72.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.286 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.585 ' CZ2' ' HG3' ' A' ' 21' ' ' GLU . 12.0 t90 -50.81 -27.34 7.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 108.024 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.567 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -84.53 -57.18 2.37 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -37.78 -45.77 1.57 Allowed Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.566 HG21 ' HB ' ' A' ' 16' ' ' ILE . 0.5 OUTLIER -67.35 -48.15 78.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.488 0.758 . . . . 0.0 109.279 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.563 HD21 ' HE ' ' A' ' 17' ' ' ARG . 13.5 mt -48.57 -44.16 36.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.468 HD13 ' OD1' ' A' ' 83' ' ' ASN . 14.9 mt -65.5 -37.15 85.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.422 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 18.5 mm-40 -65.55 -58.88 4.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.323 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.764 ' CD2' HG23 ' A' ' 10' ' ' ILE . 20.5 mt -62.04 -26.89 68.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.86 -37.0 63.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.98 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.436 ' HG2' ' N ' ' A' ' 47' ' ' PHE . 5.0 pt20 -67.87 -35.88 79.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.633 ' CE2' ' CE1' ' A' ' 48' ' ' HIS . 0.0 OUTLIER -80.62 -34.94 34.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.977 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.633 ' CE1' ' CE2' ' A' ' 47' ' ' PHE . 2.1 m170 -78.73 142.77 36.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.591 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.1 m -41.27 152.85 0.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.997 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.982 ' CG1' HD22 ' A' ' 91' ' ' LEU . 0.4 OUTLIER -55.53 -51.16 60.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.462 ' N ' HG22 ' A' ' 50' ' ' ILE . 14.0 t -46.55 -56.36 6.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.994 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.412 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 1.1 m-20 -67.58 -33.17 74.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.628 ' O ' HD12 ' A' ' 57' ' ' ILE . . . -59.2 -38.05 78.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.4 mtpt -65.53 -58.37 5.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.317 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.412 ' HG2' ' O ' ' A' ' 52' ' ' ASP . 6.0 pt20 -59.4 -35.74 74.53 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.427 1.079 . . . . 0.0 110.319 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.421 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 79.4 mtp -68.41 -34.03 75.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 110.991 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.649 HG23 ' HB1' ' A' ' 84' ' ' ALA . 17.4 mt -72.96 -36.53 51.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.266 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -56.39 -54.63 43.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.342 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.766 ' HG3' ' HZ1' ' A' ' 63' ' ' LYS . 2.9 pt-20 -60.96 -33.4 73.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.274 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.48 ' N ' ' HG2' ' A' ' 59' ' ' GLU . . . -60.18 -40.65 90.71 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -65.54 -55.37 20.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 59' ' ' GLU . 61.7 p -49.63 -29.07 6.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.377 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.766 ' HZ1' ' HG3' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -69.42 -49.61 53.54 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.567 ' CE1' ' HA3' ' A' ' 38' ' ' GLY . 19.0 m-85 -60.4 -39.09 86.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 111.023 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -48.77 -55.66 10.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 110.281 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.625 ' HB3' HD21 ' A' ' 34' ' ' LEU . 0.8 OUTLIER -65.14 -39.9 93.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.312 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.947 ' HB2' ' HG ' ' A' ' 34' ' ' LEU . . . -60.06 -34.67 73.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.674 HD21 HG23 ' A' ' 78' ' ' VAL . 5.8 mt -69.0 -30.93 69.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.426 HD12 ' HA ' ' A' ' 66' ' ' GLU . 0.4 OUTLIER -66.82 -31.42 72.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.811 HG21 ' O ' ' A' ' 29' ' ' LEU . 4.5 mt -75.56 -38.13 38.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -152.1 107.31 2.82 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.25 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -16.84 19.98 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.467 1.772 . . . . 0.0 111.065 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.9 pttt -82.88 1.36 39.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.4 75.85 0.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.479 ' HB3' ' CG ' ' A' ' 115' ' ' GLU . 0.0 OUTLIER -51.39 -25.52 6.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.505 ' HG3' ' CE3' ' A' ' 79' ' ' TRP . 8.9 tt0 -70.02 -52.92 20.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.325 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.29 -31.94 35.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.354 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.99 HG11 ' HB2' ' A' ' 111' ' ' GLN . 33.2 t -74.72 -53.51 16.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.505 ' CE3' ' HG3' ' A' ' 76' ' ' GLU . 0.3 OUTLIER -58.19 -46.54 85.6 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.465 ' HB3' ' CZ ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -50.41 -52.97 32.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 108.29 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.628 HG21 ' CZ ' ' A' ' 108' ' ' PHE . 57.7 mt -51.98 -40.38 28.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -70.85 -40.94 63.52 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.48 1.113 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.468 ' OD1' HD13 ' A' ' 42' ' ' LEU . 5.3 t-20 -64.6 -32.88 74.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 0.793 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.649 ' HB1' HG23 ' A' ' 57' ' ' ILE . . . -69.5 -55.59 9.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.72 ' CE2' HD13 ' A' ' 104' ' ' LEU . 8.0 m-85 -59.98 -43.02 95.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 38.6 m -54.8 -46.19 74.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 110.378 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.406 ' O ' ' HB2' ' A' ' 90' ' ' PHE . 4.8 m -67.09 -50.15 62.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.987 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.436 ' HB2' HG21 ' A' ' 57' ' ' ILE . 2.7 t80 -52.57 -38.23 59.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.652 ' HB1' ' CE2' ' A' ' 102' ' ' PHE . . . -57.98 -47.86 81.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.406 ' HB2' ' O ' ' A' ' 87' ' ' SER . 35.1 m-85 -59.78 -20.78 58.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.982 HD22 ' CG1' ' A' ' 50' ' ' ILE . 19.9 mt -94.28 -5.75 46.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -97.24 109.24 48.78 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.399 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.59 ' HA ' ' CE2' ' A' ' 140' ' ' TYR . 18.2 Cg_endo -75.01 -16.93 19.92 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.53 1.805 . . . . 0.0 111.005 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.506 ' O ' ' CG ' ' A' ' 95' ' ' GLU . 13.2 t70 -61.18 -126.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.342 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.506 ' CG ' ' O ' ' A' ' 94' ' ' ASP . 2.4 mt-10 -171.71 -55.88 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 110.329 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.2 t -56.34 -36.8 69.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.113 . . . . 0.0 110.401 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -76.03 -39.35 55.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.271 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -69.44 -55.34 10.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.47 -51.38 55.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.42 ' O ' ' HB2' ' A' ' 104' ' ' LEU . 2.0 t-80 -55.7 -49.47 72.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.608 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -58.23 -57.65 11.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.869 ' CD1' ' HB1' ' A' ' 132' ' ' ALA . 13.9 m-85 -50.32 -40.48 48.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 110.955 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.88 -25.9 59.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.72 HD13 ' CE2' ' A' ' 85' ' ' TYR . 0.0 OUTLIER -73.65 -53.02 11.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.302 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -58.89 -23.92 61.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.519 ' OG1' ' CG2' ' A' ' 129' ' ' THR . 3.7 m -66.71 -55.24 15.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 110.415 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.403 ' CG ' ' O ' ' A' ' 104' ' ' LEU . 2.2 pt20 -55.49 -23.48 26.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.868 ' HD1' HG13 ' A' ' 78' ' ' VAL . 17.6 m-85 -82.73 -46.83 12.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.586 ' CE2' ' OG1' ' A' ' 129' ' ' THR . 9.6 m-85 -54.27 -25.34 22.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.157 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.9 -28.18 61.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.99 ' HB2' HG11 ' A' ' 78' ' ' VAL . 35.8 mt-30 -81.67 -33.6 31.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 110.274 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.81 -53.69 54.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.615 HG12 ' HB3' ' A' ' 122' ' ' TYR . 8.1 m -64.61 -37.72 80.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.05 -52.49 8.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.479 ' CG ' ' HB3' ' A' ' 75' ' ' ASP . 5.9 mm-40 -62.76 -40.19 96.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 110.301 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -161.31 92.17 1.47 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.243 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.478 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.4 Cg_endo -75.0 -6.14 17.68 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.531 1.806 . . . . 0.0 111.028 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -85.98 5.88 31.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -83.02 117.75 23.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 81.0 p -57.85 -36.69 72.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.349 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 6.6 m80 -62.41 -59.53 4.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.113 . . . . 0.0 109.567 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.615 ' HB3' HG12 ' A' ' 113' ' ' VAL . 8.6 m-30 -54.87 -33.14 61.57 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.983 ' O ' HD22 ' A' ' 123' ' ' LEU . 0.0 OUTLIER -63.92 -44.15 93.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.635 ' N ' HD13 ' A' ' 123' ' ' LEU . 0.5 OUTLIER -70.72 -40.49 72.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.57 ' HB3' ' CE1' ' A' ' 109' ' ' PHE . 1.0 OUTLIER -58.16 -55.47 34.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 110.036 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 19.9 tp -66.3 -42.05 88.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.323 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.431 ' CB ' ' O ' ' A' ' 123' ' ' LEU . 1.1 tp10 -57.44 -47.68 81.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.239 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 3.1 mtp -67.0 -29.13 68.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 110.977 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.586 ' OG1' ' CE2' ' A' ' 109' ' ' PHE . 89.4 m -61.15 -18.49 58.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.406 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -51.48 -62.9 1.34 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.452 ' O ' HD12 ' A' ' 135' ' ' LEU . 1.6 mtmt -91.03 46.85 1.35 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.869 ' HB1' ' CD1' ' A' ' 102' ' ' PHE . . . -63.95 -48.33 78.54 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' PRO . . . . . 0.653 ' HD3' ' HB3' ' A' ' 132' ' ' ALA . 18.3 Cg_endo -74.97 -25.88 11.5 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.521 1.8 . . . . 0.0 111.049 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 9.6 mm100 -80.52 -47.37 14.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.259 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.733 ' O ' ' HB2' ' A' ' 139' ' ' ALA . 10.9 mt -49.6 -40.18 37.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' HIS . . . . . 0.563 ' HB2' ' CE2' ' A' ' 102' ' ' PHE . 43.8 t-80 -66.71 -44.31 81.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.593 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.533 ' O ' ' CB ' ' A' ' 141' ' ' LYS . . . -61.89 -52.97 61.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.504 ' O ' ' CG ' ' A' ' 142' ' ' GLN . 0.0 OUTLIER -69.3 -26.69 64.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.26 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.733 ' HB2' ' O ' ' A' ' 135' ' ' LEU . . . -62.09 -49.78 74.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 140' ' ' TYR . . . . . 0.59 ' CE2' ' HA ' ' A' ' 93' ' ' PRO . 6.7 m-85 -87.35 -40.81 14.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.533 ' CB ' ' O ' ' A' ' 137' ' ' ALA . 1.3 ttpp -55.2 -47.56 75.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 142' ' ' GLN . . . . . 0.504 ' CG ' ' O ' ' A' ' 138' ' ' GLU . 7.1 pt20 -68.51 127.27 32.41 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.137 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 145' ' ' GLY . . . 173.79 101.87 0.15 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.49 1.119 . . . . 0.0 111.01 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 67.95 -70.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 0.761 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 145' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 143' ' ' GLY . . . -175.13 -122.58 0.7 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.453 1.096 . . . . 0.0 111.003 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 119.82 -123.87 5.76 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -164.29 105.8 0.88 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.427 0.722 . . . . 0.0 109.991 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 -178.2 160.16 1.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 109.601 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 54.4 m-70 61.56 87.31 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.598 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -171.01 62.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.552 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -71.04 -62.64 1.32 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.56 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 74.88 -63.45 0.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.596 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.575 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 124.03 8.32 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.488 1.783 . . . . 0.0 110.974 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -2' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' -1' ' ' GLY . 0.1 OUTLIER -175.92 91.97 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' -1' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' -2' ' ' LEU . . . -37.96 128.67 1.56 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.537 1.148 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.5 -33.99 58.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 0.782 . . . . 0.0 110.02 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mtp 47.4 -174.52 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 110.981 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 71.56 -61.59 0.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 43.8 p -132.3 127.53 35.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 110.389 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -164.61 151.14 10.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.335 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.537 ' O ' ' CB ' ' A' ' 6' ' ' GLU . 44.6 m -93.33 7.35 44.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 110.416 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.537 ' CB ' ' O ' ' A' ' 5' ' ' THR . 0.5 OUTLIER 89.35 -26.57 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.416 ' N ' ' HG2' ' A' ' 6' ' ' GLU . 22.0 m-85 -62.53 -54.93 32.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -49.48 -39.76 34.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.317 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.0 ttm180 -68.83 -34.62 75.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.668 HG23 ' CD2' ' A' ' 44' ' ' LEU . 25.1 mt -64.96 -34.75 72.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.409 HD23 ' N ' ' A' ' 11' ' ' LEU . 6.8 mt -68.05 -38.16 82.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.649 ' CD1' HD11 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -61.32 -48.84 79.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.334 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.598 ' HD1' HG23 ' A' ' 40' ' ' VAL . 14.2 m-85 -63.99 -36.47 84.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.479 ' CG ' ' O ' ' A' ' 10' ' ' ILE . 2.3 mm-40 -57.45 -55.61 32.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 110.285 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.452 ' HG3' ' N ' ' A' ' 16' ' ' ILE . 8.6 pt20 -56.74 -29.8 62.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.32 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.649 HD11 ' CD1' ' A' ' 12' ' ' LEU . 50.6 mt -71.4 -54.79 16.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.342 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 21' ' ' GLU . 4.4 ttt180 -56.46 -51.79 67.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 110.317 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.432 ' O ' ' CG ' ' A' ' 22' ' ' ASN . 9.3 tt0 -49.2 -48.52 45.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.307 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.9 -54.49 11.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.802 ' HB1' ' HB2' ' A' ' 37' ' ' TRP . . . -49.6 -36.82 25.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.549 ' HG3' ' CZ2' ' A' ' 37' ' ' TRP . 3.1 tt0 -66.38 -40.6 89.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.432 ' CG ' ' O ' ' A' ' 18' ' ' GLN . 3.3 m-20 -73.38 -25.96 60.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.851 HG22 ' OD2' ' A' ' 30' ' ' ASP . 46.3 m -64.75 -22.89 67.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.383 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.487 ' CE1' HD21 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -63.05 -63.7 1.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 111.019 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -23.39 63.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.86 -30.04 35.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 0.0 110.024 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.425 ' O ' ' CG ' ' A' ' 30' ' ' ASP . 0.8 OUTLIER -169.78 94.4 0.51 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -7.88 19.59 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.495 1.787 . . . . 0.0 111.002 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.592 ' O ' HG21 ' A' ' 70' ' ' ILE . 12.3 mt -91.95 3.1 55.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.851 ' OD2' HG22 ' A' ' 23' ' ' THR . 38.1 p-10 -81.72 98.4 8.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.742 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . . . -75.95 -51.9 11.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.438 ' HA ' ' CE ' ' A' ' 74' ' ' LYS . 26.2 t70 -47.89 -56.28 7.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.515 ' CG ' HG21 ' A' ' 23' ' ' THR . 3.9 m120 -59.57 -35.67 74.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.701 ' HB3' ' HB2' ' A' ' 67' ' ' ALA . 0.9 OUTLIER -60.27 -49.32 78.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 39.4 m -58.38 -37.85 76.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.38 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -70.47 -47.12 62.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.315 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.802 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . 16.3 t90 -54.23 -26.93 31.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 108.018 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.53 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -86.82 -56.01 2.3 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.521 1.138 . . . . 0.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -46.33 -39.92 10.29 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.598 HG23 ' HD1' ' A' ' 13' ' ' PHE . 3.8 p -67.41 -48.65 76.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.51 0.771 . . . . 0.0 109.268 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.84 HD22 ' HG2' ' A' ' 56' ' ' MET . 20.6 mt -48.75 -49.03 40.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.446 HD13 ' OD1' ' A' ' 83' ' ' ASN . 18.6 mt -58.03 -45.58 86.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 109.262 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.568 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 7.5 mm-40 -55.45 -53.91 50.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 110.295 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.668 ' CD2' HG23 ' A' ' 10' ' ' ILE . 34.2 mt -61.66 -38.18 86.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.37 -15.11 22.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.97 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.596 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 3.3 tt0 -67.94 -8.23 35.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.262 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.596 ' CZ ' ' HB3' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -158.21 66.38 0.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 110.974 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.635 ' O ' ' C ' ' A' ' 49' ' ' SER . 11.0 m80 -157.12 122.17 4.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.627 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.635 ' C ' ' O ' ' A' ' 48' ' ' HIS . 20.2 m -17.11 126.48 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.021 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.93 ' CG1' HD22 ' A' ' 91' ' ' LEU . 0.3 OUTLIER -46.64 -45.84 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 41.6 t -47.08 -50.65 19.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.034 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -77.33 -40.13 45.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.573 ' HB2' ' O ' ' A' ' 48' ' ' HIS . . . -46.77 -54.6 9.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.437 ' CD ' HG23 ' A' ' 50' ' ' ILE . 0.5 OUTLIER -51.69 -58.21 7.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -50.6 -44.82 57.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.341 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.84 ' HG2' HD22 ' A' ' 41' ' ' LEU . 2.2 ttp -64.74 -34.22 77.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 111.018 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.789 HG21 ' HB2' ' A' ' 88' ' ' PHE . 40.2 mt -73.06 -52.5 21.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -46.89 -55.05 8.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.314 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.514 ' HG3' ' HZ1' ' A' ' 63' ' ' LYS . 3.1 pt-20 -59.15 -37.53 77.54 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.512 1.133 . . . . 0.0 110.281 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.447 ' N ' ' HG2' ' A' ' 59' ' ' GLU . . . -59.9 -28.53 67.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.557 HG12 ' CE1' ' A' ' 85' ' ' TYR . 1.1 mt -78.16 -54.5 12.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 42.3 p -48.99 -29.27 4.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.39 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.616 ' O ' HD22 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -73.12 -47.48 43.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.27 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.582 ' CZ ' ' HB3' ' A' ' 80' ' ' CYS . 21.9 m-85 -56.37 -38.46 71.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 110.986 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -55.96 -51.13 68.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.323 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.72 ' HA ' HD12 ' A' ' 69' ' ' LEU . 1.2 tp10 -61.43 -37.96 85.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.269 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.701 ' HB2' ' HB3' ' A' ' 34' ' ' LEU . . . -62.35 -42.5 99.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.736 HD21 HG23 ' A' ' 78' ' ' VAL . 19.7 mt -62.88 -29.26 70.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.72 HD12 ' HA ' ' A' ' 66' ' ' GLU . 67.4 mt -68.87 -42.12 77.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.742 ' HB ' ' HB2' ' A' ' 31' ' ' ALA . 6.0 mt -65.15 -42.77 95.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.345 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -154.52 116.14 2.49 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 -5.5 16.86 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.488 1.783 . . . . 0.0 110.984 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 75' ' ' ASP . 9.6 mmmm -82.8 -4.28 57.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.438 ' CE ' ' HA ' ' A' ' 32' ' ' ASP . 3.9 tptp -68.08 70.46 0.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.256 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.6 OUTLIER -52.09 -36.32 50.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.511 ' HG3' ' CE3' ' A' ' 79' ' ' TRP . 30.8 tt0 -62.22 -49.32 76.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.147 . . . . 0.0 110.334 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.47 -32.24 38.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.361 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.96 HG11 ' HB2' ' A' ' 111' ' ' GLN . 25.0 t -74.46 -53.26 17.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.349 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.511 ' CE3' ' HG3' ' A' ' 76' ' ' GLU . 0.4 OUTLIER -58.99 -47.35 85.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 107.969 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.582 ' HB3' ' CZ ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -51.01 -50.42 58.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 108.291 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.472 HG23 ' CZ ' ' A' ' 85' ' ' TYR . 45.6 mt -51.9 -45.4 39.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -64.83 -40.82 97.6 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.488 1.117 . . . . 0.0 111.026 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.446 ' OD1' HD13 ' A' ' 42' ' ' LEU . 14.7 t-20 -64.4 -37.0 86.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 0.757 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.517 ' HB1' HG23 ' A' ' 57' ' ' ILE . . . -66.01 -55.03 18.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.557 ' CE1' HG12 ' A' ' 61' ' ' ILE . 18.8 m-30 -54.2 -45.59 72.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 0.0 110.978 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.781 HG23 ' CE1' ' A' ' 102' ' ' PHE . 25.7 m -57.58 -50.88 71.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.393 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 16.9 t -61.95 -51.22 69.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.004 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.789 ' HB2' HG21 ' A' ' 57' ' ' ILE . 50.5 t80 -56.36 -31.58 63.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 110.995 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.85 -50.81 67.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.437 ' O ' ' CE1' ' A' ' 140' ' ' TYR . 39.8 m-85 -53.73 -25.06 16.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 111.022 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.93 HD22 ' CG1' ' A' ' 50' ' ' ILE . 19.0 mt -89.7 -19.93 24.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -92.2 118.05 67.96 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 110.361 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.59 ' HA ' ' CE2' ' A' ' 140' ' ' TYR . 18.3 Cg_endo -74.97 -23.95 13.36 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.485 1.781 . . . . 0.0 111.005 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.45 84.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 93' ' ' PRO . 47.4 mt-10 -38.71 -47.69 1.39 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 110.316 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.2 m -52.87 -54.7 30.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 110.355 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -66.62 -50.22 63.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.473 ' HB1' ' CD2' ' A' ' 136' ' ' HIS . . . -53.06 -53.32 51.96 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.507 1.13 . . . . 0.0 109.306 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -59.52 -50.01 75.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -48.74 -49.0 40.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.56 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -57.11 -56.26 24.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.83 ' HB3' ' HB1' ' A' ' 132' ' ' ALA . 8.1 m-85 -51.01 -41.84 60.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 111.005 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.4 ' O ' ' HB ' ' A' ' 106' ' ' THR . 0.4 OUTLIER -74.17 -19.2 60.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.504 HD23 ' HG2' ' A' ' 107' ' ' GLN . 0.0 OUTLIER -80.51 -49.75 10.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.632 ' HB1' ' CZ ' ' A' ' 109' ' ' PHE . . . -54.47 -24.16 19.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.4 ' HB ' ' O ' ' A' ' 103' ' ' ASP . 1.8 m -59.25 -54.97 40.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.41 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.504 ' HG2' HD23 ' A' ' 104' ' ' LEU . 0.9 OUTLIER -58.37 -23.22 56.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.273 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.688 ' HD1' HG13 ' A' ' 78' ' ' VAL . 8.0 m-85 -82.93 -47.08 12.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 110.964 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.632 ' CZ ' ' HB1' ' A' ' 105' ' ' ALA . 22.1 m-85 -53.25 -38.07 62.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 110.989 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -55.09 -32.28 61.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.96 ' HB2' HG11 ' A' ' 78' ' ' VAL . 59.8 mt-30 -76.99 -40.47 46.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.326 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.57 -55.04 26.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.667 HG12 ' HB3' ' A' ' 122' ' ' TYR . 12.1 m -65.9 -33.23 62.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.279 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.22 -44.33 7.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 109.249 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.417 ' C ' ' HG2' ' A' ' 116' ' ' GLN . 17.7 mm-40 -74.89 -44.06 50.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 110.316 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.417 ' HG2' ' C ' ' A' ' 115' ' ' GLU . 1.0 OUTLIER -139.13 81.96 20.3 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.264 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.488 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.2 Cg_endo -74.95 -1.05 10.7 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.478 1.778 . . . . 0.0 110.972 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -105.72 -12.08 16.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -61.57 129.93 43.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 73.8 p -56.92 -53.72 54.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.405 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.407 ' O ' ' OG ' ' A' ' 125' ' ' SER . 6.8 m80 -54.46 -60.18 3.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.576 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.667 ' HB3' HG12 ' A' ' 113' ' ' VAL . 7.6 m-30 -53.65 -24.9 15.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.941 ' O ' HD22 ' A' ' 123' ' ' LEU . 0.0 OUTLIER -75.04 -50.14 17.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.658 ' N ' HD13 ' A' ' 123' ' ' LEU . 7.6 tptt -60.82 -45.65 93.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.407 ' OG ' ' O ' ' A' ' 121' ' ' HIS . 0.0 OUTLIER -55.64 -40.26 71.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.027 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.54 ' O ' HG23 ' A' ' 129' ' ' THR . 48.3 tp -73.28 -56.99 4.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -51.07 -30.55 16.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.342 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.85 -27.32 29.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.612 ' HA ' ' HB2' ' A' ' 132' ' ' ALA . 71.3 p -67.93 -23.42 65.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.428 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -46.79 -56.99 5.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 11.0 mtmm -111.56 47.27 1.04 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.867 ' HB3' ' HD3' ' A' ' 133' ' ' PRO . . . -62.98 -55.21 39.72 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' PRO . . . . . 0.867 ' HD3' ' HB3' ' A' ' 132' ' ' ALA . 18.3 Cg_endo -75.03 -22.04 15.18 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.504 1.792 . . . . 0.0 111.05 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' GLN . . . . . 0.457 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 69.1 tp60 -80.33 -50.93 9.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 110.269 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.718 ' O ' ' HB2' ' A' ' 139' ' ' ALA . 45.6 mt -49.03 -40.97 33.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' HIS . . . . . 0.473 ' CD2' ' HB1' ' A' ' 98' ' ' ALA . 45.8 t-80 -68.61 -44.72 73.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 109.636 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.501 ' O ' ' CB ' ' A' ' 141' ' ' LYS . . . -61.81 -51.82 66.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.468 ' CG ' ' HA ' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -69.19 -27.09 65.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.271 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.718 ' HB2' ' O ' ' A' ' 135' ' ' LEU . . . -63.68 -49.04 74.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 140' ' ' TYR . . . . . 0.59 ' CE2' ' HA ' ' A' ' 93' ' ' PRO . 5.6 m-85 -86.0 -39.2 17.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.501 ' CB ' ' O ' ' A' ' 137' ' ' ALA . 0.1 OUTLIER -63.64 -47.94 79.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.263 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 142' ' ' GLN . . . . . 0.448 ' CB ' ' O ' ' A' ' 138' ' ' GLU . 0.0 OUTLIER -85.42 130.39 34.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.297 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -45.51 122.0 5.25 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 4.0 tp -168.31 -63.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 0.753 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -111.1 -176.69 20.43 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.438 1.086 . . . . 0.0 110.965 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -92.11 148.12 19.03 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.95 170.43 4.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 0.74 . . . . 0.0 110.026 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 66.05 142.6 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.591 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -121.33 -61.94 1.48 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.623 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 69.01 103.12 0.06 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 109.636 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 10.3 p-80 -167.87 143.01 3.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.092 . . . . 0.0 109.562 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 5.0 p80 -143.38 146.4 33.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.605 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.622 -179.944 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 109.54 2.95 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.554 1.818 . . . . 0.0 111.034 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -156.14 -62.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -174.46 58.36 0.13 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.518 1.137 . . . . 0.0 111.009 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 5.7 t -76.74 -24.59 53.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 0.781 . . . . 0.0 110.008 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.37 137.68 38.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 111.001 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.673 ' O ' HG22 ' A' ' 3' ' ' THR . 0.4 OUTLIER -173.8 -61.33 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 109.286 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.673 HG22 ' O ' ' A' ' 2' ' ' ASP . 0.6 OUTLIER 86.0 161.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 110.41 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.499 ' O ' ' CB ' ' A' ' 5' ' ' THR . 0.1 OUTLIER 178.38 113.09 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.315 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.532 ' O ' ' CB ' ' A' ' 6' ' ' GLU . 2.0 m 82.06 -5.36 1.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 0.0 110.421 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.598 ' OE2' ' CD2' ' A' ' 47' ' ' PHE . 1.3 pt-20 88.36 -35.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.456 ' N ' ' HG2' ' A' ' 6' ' ' GLU . 17.8 m-30 -49.74 -53.54 24.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 110.973 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.42 -40.89 19.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.256 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 -73.26 -35.89 66.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.09 . . . . 0.0 110.283 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 1.092 HG23 ' CD2' ' A' ' 44' ' ' LEU . 54.6 mt -59.53 -34.6 55.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.525 HD23 ' N ' ' A' ' 11' ' ' LEU . 3.9 mt -63.77 -39.93 95.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.815 HD12 HD12 ' A' ' 16' ' ' ILE . 0.2 OUTLIER -58.35 -48.66 79.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.685 ' O ' HG21 ' A' ' 40' ' ' VAL . 20.3 m-85 -63.83 -27.36 69.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.984 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -67.17 -57.9 5.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.331 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.461 ' CG ' ' O ' ' A' ' 12' ' ' LEU . 6.6 pt20 -50.96 -35.27 32.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.323 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.815 HD12 HD12 ' A' ' 12' ' ' LEU . 18.7 mt -71.22 -52.58 25.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.6 ttt180 -55.36 -32.44 62.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 110.286 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.402 ' O ' ' HB3' ' A' ' 22' ' ' ASN . 13.7 tp60 -69.17 -53.16 21.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.297 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.497 ' O ' ' CB ' ' A' ' 23' ' ' THR . 0.2 OUTLIER -69.44 -29.77 67.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.56 ' HB1' ' HB2' ' A' ' 37' ' ' TRP . . . -73.61 -45.81 50.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.579 ' HG3' ' CZ2' ' A' ' 37' ' ' TRP . 18.0 tt0 -66.64 -45.88 77.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.326 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.486 ' OD1' ' O ' ' A' ' 19' ' ' ASP . 0.2 OUTLIER -66.3 -39.76 89.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.907 HG21 ' CG ' ' A' ' 33' ' ' ASN . 1.3 m -56.05 -23.29 32.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.393 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -55.95 -60.81 2.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.985 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.426 ' CD ' ' O ' ' A' ' 22' ' ' ASN . 0.0 OUTLIER -56.76 -26.49 57.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.332 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.53 -35.65 73.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.037 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.468 ' O ' ' CG ' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -169.4 96.2 0.51 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -0.16 9.61 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.489 1.784 . . . . 0.0 110.999 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.687 ' O ' HG21 ' A' ' 70' ' ' ILE . 11.8 mt -101.98 13.51 34.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.537 ' OD2' HG22 ' A' ' 23' ' ' THR . 46.6 p30 -90.86 98.29 11.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.713 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . . . -71.83 -27.04 62.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.327 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -71.42 -52.16 20.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.907 ' CG ' HG21 ' A' ' 23' ' ' THR . 0.4 OUTLIER -71.11 -37.56 72.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 1.021 ' HG ' ' HB2' ' A' ' 67' ' ' ALA . 3.4 tp -61.3 -49.34 77.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.472 HG22 ' OE2' ' A' ' 76' ' ' GLU . 2.0 m -62.91 -36.58 83.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.387 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.51 -44.51 67.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 110.308 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.579 ' CZ2' ' HG3' ' A' ' 21' ' ' GLU . 12.8 t90 -52.29 -28.07 17.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 108.003 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.552 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -85.74 -50.36 3.99 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.512 1.132 . . . . 0.0 111.025 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -42.68 -44.59 5.46 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.685 HG21 ' O ' ' A' ' 13' ' ' PHE . 4.6 p -67.34 -47.66 80.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.771 . . . . 0.0 109.315 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.473 ' CD1' ' OE2' ' A' ' 59' ' ' GLU . 15.2 mt -49.53 -43.67 45.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.0 mt -61.72 -37.21 83.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.457 ' CD ' ' CZ ' ' A' ' 13' ' ' PHE . 5.1 mm-40 -65.73 -57.06 8.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 110.306 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 1.092 ' CD2' HG23 ' A' ' 10' ' ' ILE . 48.1 mt -62.07 -31.31 71.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 31.3 m -53.76 -18.86 3.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 110.035 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.649 ' HB2' ' CE1' ' A' ' 47' ' ' PHE . 42.4 mt-30 -67.8 -5.56 16.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.303 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.649 ' CE1' ' HB2' ' A' ' 46' ' ' GLN . 1.9 m-85 -157.47 -137.51 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.464 ' O ' ' CB ' ' A' ' 49' ' ' SER . 2.9 m-70 58.54 16.0 3.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.601 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' A' ' 48' ' ' HIS . 3.6 t 83.81 134.59 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.997 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.902 ' CG1' HD22 ' A' ' 91' ' ' LEU . 0.2 OUTLIER -54.74 -39.94 49.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 37.6 t -52.57 -57.55 9.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.073 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.401 ' HB2' ' O ' ' A' ' 48' ' ' HIS . 0.2 OUTLIER -73.4 -42.68 61.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.52 ' HB3' ' HA ' ' A' ' 50' ' ' ILE . . . -46.17 -52.43 12.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.52 ' CD ' HG23 ' A' ' 50' ' ' ILE . 37.3 mtpt -53.87 -56.71 15.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 27.2 mm100 -51.07 -42.05 60.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.278 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.4 mtm -62.18 -34.48 76.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 110.99 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.941 HG21 ' HB2' ' A' ' 88' ' ' PHE . 43.9 mt -72.73 -47.49 49.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 109.338 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -48.4 -54.05 15.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.473 ' OE2' ' CD1' ' A' ' 41' ' ' LEU . 5.4 pt-20 -65.64 -34.34 77.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 0.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.432 ' O ' ' CD2' ' A' ' 64' ' ' PHE . . . -59.56 -34.16 72.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -74.62 -57.68 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.403 ' OG1' ' HA ' ' A' ' 59' ' ' GLU . 50.1 p -50.89 -29.81 12.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 110.393 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.578 ' HE3' ' CH2' ' A' ' 37' ' ' TRP . 0.3 OUTLIER -68.83 -47.5 65.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.595 ' CZ ' ' HB3' ' A' ' 80' ' ' CYS . 23.2 m-85 -59.98 -40.09 87.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.443 1.089 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -49.76 -55.09 15.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.274 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.509 ' HB3' HD21 ' A' ' 34' ' ' LEU . 6.9 tp10 -63.5 -36.06 82.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 110.312 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 1.021 ' HB2' ' HG ' ' A' ' 34' ' ' LEU . . . -63.06 -39.86 95.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.642 HD21 HG23 ' A' ' 78' ' ' VAL . 10.5 mt -63.54 -30.54 71.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' A' ' 66' ' ' GLU . 0.5 OUTLIER -67.07 -35.15 79.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.713 ' HB ' ' HB2' ' A' ' 31' ' ' ALA . 4.5 mt -74.95 -42.72 46.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -144.43 105.11 4.67 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.245 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -19.06 18.19 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.493 1.786 . . . . 0.0 110.961 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -82.63 1.87 36.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.8 tptp -74.07 76.66 1.73 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.477 ' HB3' ' CG ' ' A' ' 115' ' ' GLU . 0.5 OUTLIER -51.95 -26.57 10.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.475 ' HG2' ' CE3' ' A' ' 79' ' ' TRP . 2.2 tt0 -63.77 -53.66 47.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.89 -32.57 45.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.235 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.883 HG11 ' HG2' ' A' ' 111' ' ' GLN . 55.7 t -74.52 -52.9 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.475 ' CE3' ' HG2' ' A' ' 76' ' ' GLU . 0.4 OUTLIER -59.08 -50.39 74.23 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.595 ' HB3' ' CZ ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -50.42 -52.71 35.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 108.305 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.901 HG21 ' CZ ' ' A' ' 108' ' ' PHE . 44.7 mt -51.8 -33.14 15.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -76.95 -45.14 12.38 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.502 1.127 . . . . 0.0 111.021 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -64.57 -31.35 72.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 0.741 . . . . 0.0 109.301 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.421 ' HB1' HG23 ' A' ' 57' ' ' ILE . . . -68.14 -55.5 12.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.55 ' CE2' HD13 ' A' ' 104' ' ' LEU . 6.3 m-85 -56.46 -40.08 74.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 111.014 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 88.2 m -58.9 -50.88 72.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.452 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 48.2 m -62.41 -51.56 67.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.976 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.941 ' HB2' HG21 ' A' ' 57' ' ' ILE . 40.0 t80 -53.3 -33.81 54.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 111.037 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.94 -50.97 66.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.401 ' O ' ' CE1' ' A' ' 140' ' ' TYR . 39.5 m-85 -55.22 -18.08 5.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 111.049 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.902 HD22 ' CG1' ' A' ' 50' ' ' ILE . 43.3 mt -95.18 -20.57 19.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -95.29 117.82 66.57 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.131 . . . . 0.0 110.407 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.417 ' HA ' ' CE2' ' A' ' 140' ' ' TYR . 18.4 Cg_endo -74.98 -25.09 12.23 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.47 1.774 . . . . 0.0 111.012 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.45 88.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 93' ' ' PRO . 44.8 mt-10 -40.12 -47.69 2.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.264 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.3 m -52.9 -57.71 9.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.409 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -65.19 -38.1 89.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 110.253 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.23 -53.49 56.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.34 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.87 -51.8 68.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -48.84 -39.8 26.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 109.545 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -66.98 -54.97 16.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.709 ' HB3' ' HB1' ' A' ' 132' ' ' ALA . 34.1 m-85 -50.96 -40.53 57.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -73.85 -20.0 60.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.55 HD13 ' CE2' ' A' ' 85' ' ' TYR . 0.0 OUTLIER -78.52 -49.23 13.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.573 ' HB1' ' CZ ' ' A' ' 109' ' ' PHE . . . -58.56 -24.3 60.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.8 m -60.78 -55.42 33.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.43 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.45 ' HG3' ' N ' ' A' ' 108' ' ' PHE . 0.0 OUTLIER -53.5 -26.27 20.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.283 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.901 ' CZ ' HG21 ' A' ' 81' ' ' ILE . 33.3 m-85 -84.07 -47.76 10.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 110.961 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.897 ' HB3' HD22 ' A' ' 126' ' ' LEU . 19.6 m-85 -55.93 -51.33 68.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.975 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.5 ' HA ' HD21 ' A' ' 126' ' ' LEU . 0.0 OUTLIER -65.32 -25.95 67.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.127 . . . . 0.0 110.269 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.883 ' HG2' HG11 ' A' ' 78' ' ' VAL . 10.5 tt0 -81.79 -37.68 26.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.328 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.59 -54.4 28.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.968 HG12 ' HB3' ' A' ' 122' ' ' TYR . 6.4 m -55.91 -36.53 44.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -44.72 -34.98 2.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.477 ' CG ' ' HB3' ' A' ' 75' ' ' ASP . 31.9 mm-40 -75.04 -40.67 60.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.082 . . . . 0.0 110.339 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.483 ' O ' ' CG ' ' A' ' 116' ' ' GLN . 1.8 tt0 -157.05 86.72 2.78 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.254 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -0.89 10.54 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.526 1.803 . . . . 0.0 111.005 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.62 -0.75 55.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -87.07 118.7 26.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 45.0 p -54.63 -52.7 61.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.364 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 7.0 m80 -50.94 -47.41 61.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 109.591 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.968 ' HB3' HG12 ' A' ' 113' ' ' VAL . 7.2 m-30 -62.77 -24.59 67.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.975 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.885 ' O ' HD22 ' A' ' 123' ' ' LEU . 0.0 OUTLIER -76.97 -51.71 10.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.797 ' N ' HD13 ' A' ' 123' ' ' LEU . 1.5 tptp -54.16 -41.66 68.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.51 ' O ' HG23 ' A' ' 129' ' ' THR . 1.2 m -55.82 -40.18 72.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.999 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.897 HD22 ' HB3' ' A' ' 109' ' ' PHE . 0.2 OUTLIER -68.65 -43.09 76.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.26 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 130' ' ' ALA . 1.5 tp10 -68.09 -41.72 81.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 110.249 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.4 -31.95 4.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 111.037 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.563 ' HA ' ' HB2' ' A' ' 132' ' ' ALA . 10.2 p -68.58 -30.76 69.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.409 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 127' ' ' GLU . . . -40.72 -43.24 1.93 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.491 ' O ' HD12 ' A' ' 135' ' ' LEU . 0.0 OUTLIER -122.16 47.56 1.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.781 ' HB3' ' HD3' ' A' ' 133' ' ' PRO . . . -64.29 -51.75 59.1 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' PRO . . . . . 0.781 ' HD3' ' HB3' ' A' ' 132' ' ' ALA . 18.3 Cg_endo -74.99 -24.14 13.12 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.494 1.786 . . . . 0.0 110.978 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' GLN . . . . . 0.48 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 30.7 mm-40 -80.37 -50.12 10.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 0.0 110.248 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.66 ' O ' ' HB2' ' A' ' 139' ' ' ALA . 11.8 mt -48.31 -44.16 33.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' HIS . . . . . 0.424 ' HB2' ' CE2' ' A' ' 102' ' ' PHE . 16.0 t-80 -66.8 -44.19 81.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.586 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.427 ' O ' ' HB2' ' A' ' 141' ' ' LYS . . . -61.88 -53.03 61.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.329 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.48 ' CG ' ' O ' ' A' ' 134' ' ' GLN . 0.1 OUTLIER -68.16 -28.43 67.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 110.289 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.66 ' HB2' ' O ' ' A' ' 135' ' ' LEU . . . -66.85 -41.04 88.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 140' ' ' TYR . . . . . 0.417 ' CE2' ' HA ' ' A' ' 93' ' ' PRO . 4.0 m-85 -87.71 -31.09 19.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.427 ' HB2' ' O ' ' A' ' 137' ' ' ALA . 0.0 OUTLIER -70.88 -48.56 53.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.336 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -83.33 103.54 12.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -91.78 -60.34 1.28 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.52 1.138 . . . . 0.0 111.021 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 7.1 mt -65.82 118.06 9.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 0.758 . . . . 0.0 109.29 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -147.81 -77.38 0.02 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.53 1.144 . . . . 0.0 110.965 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -90.98 128.2 9.2 Favored Glycine 0 CA--C 1.531 1.043 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 87.7 p -89.92 73.88 7.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 0.746 . . . . 0.0 109.989 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 40.6 t-80 -170.2 159.76 7.54 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 109.582 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -49.3 99.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.63 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -129.36 119.91 24.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.616 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -78.39 72.0 4.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 109.576 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -112.6 114.47 27.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.615 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 28.5 t-80 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.603 -179.96 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 138.62 23.22 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.504 1.792 . . . . 0.0 110.985 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -166.84 116.71 0.89 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 109.255 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 152.74 175.41 24.21 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 8.8 m -76.83 -36.98 56.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 0.754 . . . . 0.0 110.011 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER 56.17 165.08 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 111.026 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -178.08 -60.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.2 t -81.69 165.1 21.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.407 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -154.54 158.52 39.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.275 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.483 ' O ' ' CB ' ' A' ' 6' ' ' GLU . 9.7 m -144.38 18.78 1.71 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 0.0 110.445 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.483 ' CB ' ' O ' ' A' ' 5' ' ' THR . 0.7 OUTLIER 85.06 -45.54 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 110.289 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.445 ' N ' ' HG2' ' A' ' 6' ' ' GLU . 12.9 m-85 -46.21 -54.41 8.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -48.05 -41.8 26.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 -71.56 -33.94 69.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 110.295 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.638 HG23 ' CD2' ' A' ' 44' ' ' LEU . 10.7 mt -60.15 -45.41 95.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.418 1.074 . . . . 0.0 109.275 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.3 mt -57.86 -37.04 73.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.505 ' CD1' HD11 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -60.16 -52.29 65.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.351 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.685 ' HD1' HG23 ' A' ' 40' ' ' VAL . 20.2 m-85 -63.95 -28.13 69.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.972 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -65.71 -59.85 3.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.508 ' HG3' ' N ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -50.8 -30.78 15.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 110.291 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.508 ' N ' ' HG3' ' A' ' 15' ' ' GLN . 23.9 mt -71.49 -52.99 22.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.462 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 10.4 ttt180 -55.41 -54.11 47.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.316 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -50.59 -55.03 18.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.108 . . . . 0.0 110.313 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.598 ' HA ' ' OD1' ' A' ' 22' ' ' ASN . 0.2 OUTLIER -57.45 -43.15 83.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.651 ' HB1' ' CG ' ' A' ' 37' ' ' TRP . . . -50.6 -43.19 56.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.645 ' HG2' ' CZ2' ' A' ' 37' ' ' TRP . 2.0 mt-10 -66.74 -39.43 87.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.321 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.598 ' OD1' ' HA ' ' A' ' 19' ' ' ASP . 0.1 OUTLIER -73.99 -36.38 64.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.489 HG23 ' OD2' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -63.62 -23.61 67.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.158 . . . . 0.0 110.402 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.41 ' CD1' ' HZ3' ' A' ' 37' ' ' TRP . 0.1 OUTLIER -54.81 -60.57 3.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 110.993 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.03 -24.38 67.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.39 -32.46 60.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.982 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.506 ' O ' ' CG ' ' A' ' 30' ' ' ASP . 0.6 OUTLIER -168.97 82.13 0.69 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 24.16 0.39 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.467 1.772 . . . . 0.0 110.937 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.792 ' O ' HG21 ' A' ' 70' ' ' ILE . 12.4 mt -132.72 13.11 4.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.506 ' CG ' ' O ' ' A' ' 27' ' ' ASN . 5.6 p30 -90.79 99.78 12.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.107 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.753 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . . . -71.79 -23.93 61.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -69.95 -54.86 11.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -71.17 -35.12 71.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.958 ' HG ' ' HB2' ' A' ' 67' ' ' ALA . 0.6 OUTLIER -63.95 -52.57 59.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.1 m -58.2 -36.37 73.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.575 1.172 . . . . 0.0 110.357 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.36 -32.77 70.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.44 1.087 . . . . 0.0 110.3 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.651 ' CG ' ' HB1' ' A' ' 20' ' ' ALA . 6.6 t90 -57.63 -27.05 62.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 107.996 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.583 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -84.26 -57.42 2.36 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.533 1.146 . . . . 0.0 111.032 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -42.55 -44.23 5.21 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.685 HG23 ' HD1' ' A' ' 13' ' ' PHE . 9.5 p -67.35 -43.4 87.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.544 0.791 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.553 HD13 ' CG ' ' A' ' 59' ' ' GLU . 17.1 mt -55.8 -49.45 73.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.118 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.4 mt -54.89 -39.88 69.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -62.37 -58.04 9.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.282 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.638 ' CD2' HG23 ' A' ' 10' ' ' ILE . 25.9 mt -61.99 -25.07 67.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.98 -42.97 73.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 110.005 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.421 ' HG2' ' N ' ' A' ' 47' ' ' PHE . 3.0 pt20 -67.81 -36.66 80.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.299 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.58 ' CD2' HG12 ' A' ' 10' ' ' ILE . 22.8 m-85 -75.72 -28.66 58.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 111.043 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 46.9 m80 -90.18 142.47 27.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.594 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 53' ' ' ALA . 83.0 p -49.52 160.16 0.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.978 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.892 ' CG1' HD22 ' A' ' 91' ' ' LEU . 1.0 OUTLIER -51.5 -51.92 22.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.454 ' N ' HG22 ' A' ' 50' ' ' ILE . 21.7 t -44.59 -56.5 4.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 110.013 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.09 -28.9 64.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.554 ' HB3' ' HA ' ' A' ' 50' ' ' ILE . . . -58.56 -54.42 47.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.417 ' CD ' HG23 ' A' ' 50' ' ' ILE . 0.4 OUTLIER -51.49 -57.92 7.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -53.96 -43.2 69.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.303 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.465 ' HB3' ' HE3' ' A' ' 56' ' ' MET . 2.4 mmm -63.8 -36.94 85.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.984 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.832 HG21 ' HB2' ' A' ' 88' ' ' PHE . 9.6 mt -72.83 -50.69 31.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -45.98 -54.96 7.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.314 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.553 ' CG ' HD13 ' A' ' 41' ' ' LEU . 3.9 pt-20 -63.6 -35.07 79.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.158 . . . . 0.0 110.337 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 57' ' ' ILE . . . -59.77 -32.51 70.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -73.43 -54.12 16.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 59' ' ' GLU . 20.4 p -49.97 -31.41 12.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.39 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.496 ' CA ' HD11 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -66.27 -54.25 27.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 109.345 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.583 ' CE1' ' HA3' ' A' ' 38' ' ' GLY . 21.3 m-85 -56.45 -39.81 73.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.536 1.148 . . . . 0.0 110.958 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -50.14 -56.01 12.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.6 ' HB3' HD21 ' A' ' 34' ' ' LEU . 2.5 tt0 -65.83 -37.78 87.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.279 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.958 ' HB2' ' HG ' ' A' ' 34' ' ' LEU . . . -60.95 -38.19 84.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.646 HD21 HG23 ' A' ' 78' ' ' VAL . 7.1 mt -65.51 -32.62 74.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.44 HD12 ' HA ' ' A' ' 66' ' ' GLU . 0.5 OUTLIER -65.37 -33.52 76.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.792 HG21 ' O ' ' A' ' 29' ' ' LEU . 4.6 mt -76.32 -38.69 33.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -147.31 105.56 3.81 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -18.12 18.98 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.477 1.778 . . . . 0.0 110.998 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.6 ptmt -82.88 1.75 37.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.52 76.69 0.57 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.273 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.09 -29.38 30.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.476 ' HG3' ' CE3' ' A' ' 79' ' ' TRP . 1.5 tp10 -67.14 -51.2 56.89 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 110.324 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -53.37 -32.23 48.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 1.004 HG11 ' HB2' ' A' ' 111' ' ' GLN . 40.7 t -74.52 -53.52 16.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.495 ' CZ3' ' SG ' ' A' ' 80' ' ' CYS . 0.4 OUTLIER -58.57 -47.56 83.85 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.573 ' HB3' ' CZ ' ' A' ' 64' ' ' PHE . 0.5 OUTLIER -50.77 -53.1 34.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 108.314 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.544 HG21 ' CZ ' ' A' ' 108' ' ' PHE . 56.8 mt -51.94 -37.45 21.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -71.31 -44.36 52.46 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.522 1.139 . . . . 0.0 110.994 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -64.56 -31.16 72.26 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.518 0.775 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.447 ' HB1' HG23 ' A' ' 57' ' ' ILE . . . -69.88 -55.5 9.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.532 ' CE2' ' CG2' ' A' ' 81' ' ' ILE . 8.7 m-85 -57.06 -44.72 83.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 26.7 m -54.97 -52.43 63.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 0.0 110.43 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.5 m -61.45 -51.52 68.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 109.975 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.832 ' HB2' HG21 ' A' ' 57' ' ' ILE . 43.2 t80 -53.33 -34.15 56.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.974 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.607 ' HB1' ' CD2' ' A' ' 102' ' ' PHE . . . -63.87 -49.32 73.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.331 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -55.76 -20.07 13.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 111.022 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.892 HD22 ' CG1' ' A' ' 50' ' ' ILE . 23.0 mt -94.29 -16.96 23.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.462 HG22 ' HB2' ' A' ' 98' ' ' ALA . 0.9 OUTLIER -97.22 118.08 64.97 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.444 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.515 ' HA ' ' CE2' ' A' ' 140' ' ' TYR . 18.3 Cg_endo -74.93 -22.6 14.79 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.485 1.781 . . . . 0.0 110.987 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.81 105.96 1.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -54.96 -46.75 75.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 110.301 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.4 m -52.77 -57.99 8.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.381 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -65.25 -50.36 66.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 110.321 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.462 ' HB2' HG22 ' A' ' 92' ' ' THR . . . -52.61 -54.2 36.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.331 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 29.8 tttt -60.43 -49.26 78.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -51.99 -47.62 64.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 109.617 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.85 -47.47 65.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.956 ' CD1' ' HB1' ' A' ' 132' ' ' ALA . 1.4 m-85 -55.53 -42.31 74.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.42 -19.48 60.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.559 HD22 ' CE2' ' A' ' 108' ' ' PHE . 0.1 OUTLIER -72.21 -48.39 43.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.344 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -56.91 -31.39 64.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.337 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.2 m -60.43 -56.11 25.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 110.372 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.519 ' HG2' HD23 ' A' ' 104' ' ' LEU . 0.0 OUTLIER -56.75 -23.14 40.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.755 ' HD1' HG13 ' A' ' 78' ' ' VAL . 6.0 m-85 -82.51 -48.56 10.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.776 ' O ' HG13 ' A' ' 113' ' ' VAL . 16.1 m-85 -54.98 -19.85 7.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.955 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -74.26 -26.76 60.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 110.275 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 1.004 ' HB2' HG11 ' A' ' 78' ' ' VAL . 37.8 mt-30 -81.52 -43.76 18.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.282 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.61 -47.71 84.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.318 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.801 HG12 ' HB3' ' A' ' 122' ' ' TYR . 5.6 m -67.88 -38.65 80.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.21 -48.43 12.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -63.99 -40.37 96.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.315 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -161.8 90.39 1.45 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.27 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.457 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.3 Cg_endo -74.97 -4.17 15.01 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.464 1.771 . . . . 0.0 111.022 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -86.76 -4.36 59.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -79.96 108.07 13.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.465 ' HA ' HD12 ' A' ' 123' ' ' LEU . 1.9 t -52.96 -27.32 18.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 110.399 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -61.11 -45.53 94.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.624 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.801 ' HB3' HG12 ' A' ' 113' ' ' VAL . 14.8 m-30 -79.12 -36.65 40.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.912 ' O ' HD22 ' A' ' 123' ' ' LEU . 0.0 OUTLIER -59.22 -44.59 92.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.898 ' N ' HD13 ' A' ' 123' ' ' LEU . 2.8 tptt -67.68 -47.42 69.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.434 ' HB3' ' CE1' ' A' ' 109' ' ' PHE . 0.5 OUTLIER -57.79 -49.37 76.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.999 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.659 HD13 ' HB3' ' A' ' 109' ' ' PHE . 28.5 tp -68.91 -38.13 79.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.443 ' CB ' ' O ' ' A' ' 123' ' ' LEU . 1.0 OUTLIER -66.67 -36.35 82.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 110.312 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 7.2 mmm -71.07 -41.98 70.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 111.008 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.564 ' O ' ' HB2' ' A' ' 132' ' ' ALA . 0.5 OUTLIER -59.32 -22.62 61.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 110.37 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -41.85 -59.85 1.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.586 ' O ' HD12 ' A' ' 135' ' ' LEU . 12.2 mttt -90.53 45.27 1.25 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.956 ' HB1' ' CD1' ' A' ' 102' ' ' PHE . . . -63.63 -44.47 80.79 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.336 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' PRO . . . . . 0.641 ' CD ' ' N ' ' A' ' 132' ' ' ALA . 18.4 Cg_endo -74.99 -29.93 7.71 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.485 1.782 . . . . 0.0 111.026 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' GLN . . . . . 0.465 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 11.7 mm100 -80.66 -47.0 14.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 110.275 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.685 ' O ' ' HB2' ' A' ' 139' ' ' ALA . 6.9 mt -51.04 -42.84 60.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' HIS . . . . . 0.565 ' HB2' ' CE2' ' A' ' 102' ' ' PHE . 56.8 t-80 -66.21 -44.35 84.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.603 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.537 ' O ' ' CB ' ' A' ' 141' ' ' LYS . . . -61.96 -52.69 62.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.5 ' O ' ' CB ' ' A' ' 142' ' ' GLN . 0.0 OUTLIER -69.24 -26.73 64.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.293 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.685 ' HB2' ' O ' ' A' ' 135' ' ' LEU . . . -66.9 -49.66 64.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.243 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 140' ' ' TYR . . . . . 0.515 ' CE2' ' HA ' ' A' ' 93' ' ' PRO . 5.5 m-85 -83.34 -43.09 16.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.537 ' CB ' ' O ' ' A' ' 137' ' ' ALA . 0.0 OUTLIER -61.1 -48.08 83.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.33 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 142' ' ' GLN . . . . . 0.5 ' CB ' ' O ' ' A' ' 138' ' ' GLU . 0.6 OUTLIER -85.66 130.72 34.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.27 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.92 -140.72 20.36 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.48 1.112 . . . . 0.0 111.005 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.2 mt -76.64 127.11 32.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 0.771 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -140.73 -117.06 1.35 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.531 1.144 . . . . 0.0 111.003 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -123.15 178.34 16.39 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 11.3 p -121.94 -57.53 1.79 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 0.744 . . . . 0.0 110.015 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 43.5 t-80 -49.61 132.36 21.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.654 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -121.52 139.35 53.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.49 1.119 . . . . 0.0 109.63 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -146.99 145.58 29.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.164 . . . . 0.0 109.586 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -139.46 -62.65 0.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.619 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 2.2 m80 57.22 169.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 109.599 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 18.0 m170 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.617 -179.991 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -56.86 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.508 1.794 . . . . 0.0 111.024 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 2.1 mt 57.28 163.59 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 132.44 -140.39 11.78 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.482 1.114 . . . . 0.0 110.963 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 76.9 p -79.0 -24.12 43.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 0.784 . . . . 0.0 110.01 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -73.6 137.77 44.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 56.14 83.45 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.446 1.091 . . . . 0.0 109.254 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.5 p -146.15 178.1 8.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.406 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 65.73 -157.27 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.33 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.596 ' O ' ' CG ' ' A' ' 6' ' ' GLU . 12.9 m 72.74 8.12 5.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 0.0 110.395 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.596 ' CG ' ' O ' ' A' ' 5' ' ' THR . 0.0 OUTLIER 88.87 -20.8 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.408 ' O ' ' N ' ' A' ' 10' ' ' ILE . 23.3 m-85 -67.23 -55.04 15.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.97 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.07 -40.01 21.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.457 ' CG ' ' CE2' ' A' ' 13' ' ' PHE . 10.1 ttm180 -66.34 -32.95 74.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 110.251 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.795 HG23 ' CD2' ' A' ' 44' ' ' LEU . 42.8 mt -68.19 -45.17 83.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.42 1.075 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.442 HD23 ' N ' ' A' ' 11' ' ' LEU . 6.6 mt -54.9 -38.94 68.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.68 HD12 HD12 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -64.06 -48.71 75.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.779 ' CD1' HG23 ' A' ' 40' ' ' VAL . 12.5 m-85 -63.77 -28.33 69.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -66.53 -59.54 3.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 110.304 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.486 ' HG3' ' N ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -51.84 -28.47 15.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.26 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.68 HD12 HD12 ' A' ' 12' ' ' LEU . 5.3 mt -71.9 -53.3 20.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.413 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -49.44 -58.93 4.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 110.329 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.424 ' HG3' ' O ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -53.77 -42.31 68.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 110.274 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 23' ' ' THR . 0.2 OUTLIER -63.11 -34.14 76.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.112 . . . . 0.0 109.319 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.596 ' HB1' ' CG ' ' A' ' 37' ' ' TRP . . . -66.34 -47.97 71.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.668 ' HG2' ' CZ2' ' A' ' 37' ' ' TRP . 2.8 mt-10 -58.91 -42.65 90.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.445 ' HA ' ' CE ' ' A' ' 25' ' ' LYS . 10.2 t-20 -75.44 -36.14 60.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.334 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.607 HG21 ' CG ' ' A' ' 33' ' ' ASN . 2.7 m -62.18 -25.56 67.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.451 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.464 ' O ' ' CD ' ' A' ' 28' ' ' PRO . 0.1 OUTLIER -54.5 -60.85 2.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 110.979 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.445 ' CE ' ' HA ' ' A' ' 22' ' ' ASN . 0.0 OUTLIER -63.48 -28.99 70.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.61 -38.22 73.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 110.009 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' A' ' 23' ' ' THR . 1.5 t30 -169.52 84.35 0.62 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.464 ' CD ' ' O ' ' A' ' 24' ' ' TYR . 18.4 Cg_endo -74.97 -0.72 10.3 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.494 1.787 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.797 ' O ' HG21 ' A' ' 70' ' ' ILE . 8.3 mt -91.92 -21.99 20.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.41 ' O ' ' HB2' ' A' ' 34' ' ' LEU . 0.9 OUTLIER -66.99 97.96 0.53 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.11 . . . . 0.0 109.324 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.822 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . . . -71.95 -21.93 61.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -65.6 -52.49 51.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.607 ' CG ' HG21 ' A' ' 23' ' ' THR . 0.5 OUTLIER -69.42 -34.61 74.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.266 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.684 HD22 ' O ' ' A' ' 63' ' ' LYS . 0.5 OUTLIER -66.69 -35.68 80.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 0.0 109.303 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.6 m -72.78 -39.03 67.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 110.396 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.2 ptt180 -70.46 -20.14 62.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.098 . . . . 0.0 110.324 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.668 ' CZ2' ' HG2' ' A' ' 21' ' ' GLU . 6.2 t90 -67.42 -27.08 66.76 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.612 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -86.26 -60.7 1.71 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -39.58 -41.75 1.78 Allowed Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.779 HG23 ' CD1' ' A' ' 13' ' ' PHE . 5.7 p -67.4 -50.71 59.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.51 0.771 . . . . 0.0 109.253 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.476 ' N ' HG13 ' A' ' 40' ' ' VAL . 45.0 mt -52.15 -42.29 63.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 24.0 mt -65.49 -35.15 80.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -65.68 -57.48 7.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.795 ' CD2' HG23 ' A' ' 10' ' ' ILE . 21.5 mt -52.66 -29.71 27.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.32 -16.94 6.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 109.974 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -68.23 -7.04 27.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 110.263 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.642 ' O ' ' CG ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -157.83 21.09 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 110.985 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.587 ' O ' ' O ' ' A' ' 49' ' ' SER . 0.4 OUTLIER -108.69 46.24 0.98 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.59 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.777 ' O ' ' HB2' ' A' ' 53' ' ' ALA . 66.9 m 41.12 -173.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.994 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.838 HG13 HD22 ' A' ' 91' ' ' LEU . 0.2 OUTLIER -83.06 -52.82 12.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.472 ' N ' HG22 ' A' ' 50' ' ' ILE . 91.7 p -51.28 -57.23 9.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.97 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.452 ' O ' ' CG ' ' A' ' 56' ' ' MET . 0.2 OUTLIER -62.16 -32.08 72.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.777 ' HB2' ' O ' ' A' ' 49' ' ' SER . . . -66.53 -46.16 77.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.462 ' CD ' HG23 ' A' ' 50' ' ' ILE . 38.9 mtpt -62.49 -59.15 5.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.512 ' HG3' ' N ' ' A' ' 56' ' ' MET . 0.0 OUTLIER -53.56 -36.18 61.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.276 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.544 ' SD ' ' CG ' ' A' ' 48' ' ' HIS . 64.6 mtp -71.08 -37.05 72.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.792 HG21 ' HB2' ' A' ' 88' ' ' PHE . 8.8 mt -71.42 -51.83 30.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.548 ' O ' HG23 ' A' ' 62' ' ' THR . 3.4 mt-30 -45.19 -54.41 6.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.449 ' OE2' ' CD1' ' A' ' 41' ' ' LEU . 4.8 pt-20 -66.48 -36.39 82.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.425 ' N ' ' HG2' ' A' ' 59' ' ' GLU . . . -58.67 -27.96 65.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.668 HD13 ' CE1' ' A' ' 85' ' ' TYR . 1.4 mt -80.1 -52.3 14.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.296 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.548 HG23 ' O ' ' A' ' 58' ' ' GLN . 68.0 p -50.11 -31.65 13.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.097 . . . . 0.0 110.401 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.684 ' O ' HD22 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -72.29 -45.37 60.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.612 ' CE1' ' HA3' ' A' ' 38' ' ' GLY . 19.4 m-30 -56.4 -42.84 78.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.54 1.15 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -52.93 -54.68 31.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.283 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.534 ' HA ' HD12 ' A' ' 69' ' ' LEU . 0.4 OUTLIER -56.47 -37.05 69.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 110.326 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.577 ' HA ' HD12 ' A' ' 70' ' ' ILE . . . -64.79 -44.77 88.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.756 HD21 HG23 ' A' ' 78' ' ' VAL . 16.2 mt -59.33 -33.07 70.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.534 HD12 ' HA ' ' A' ' 66' ' ' GLU . 0.8 OUTLIER -63.54 -40.07 96.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.344 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.822 ' HB ' ' HB2' ' A' ' 31' ' ' ALA . 5.8 mt -66.72 -44.45 89.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -152.82 114.01 2.76 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -4.5 15.49 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.443 1.759 . . . . 0.0 111.004 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 75' ' ' ASP . 20.1 mmtt -82.9 -6.37 59.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -66.11 75.33 0.09 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.3 OUTLIER -55.76 -29.01 58.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 179.922 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.416 ' HG3' ' CE3' ' A' ' 79' ' ' TRP . 34.2 tt0 -68.0 -51.5 46.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.314 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.22 -32.27 35.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.974 HG11 ' HB2' ' A' ' 111' ' ' GLN . 36.7 t -74.59 -52.89 18.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.479 ' CZ3' ' SG ' ' A' ' 80' ' ' CYS . 0.4 OUTLIER -59.11 -50.13 75.23 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.574 ' HB3' ' CZ ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -50.66 -51.2 51.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 108.313 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.569 HG21 ' CZ ' ' A' ' 108' ' ' PHE . 35.7 mt -51.88 -33.75 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -75.94 -46.51 13.49 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.464 1.102 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -62.52 -29.33 70.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 0.772 . . . . 0.0 109.313 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.705 ' HB1' HG23 ' A' ' 57' ' ' ILE . . . -69.92 -55.43 9.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.668 ' CE1' HD13 ' A' ' 61' ' ' ILE . 12.0 m-85 -57.84 -44.28 86.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 74.7 m -54.87 -48.52 72.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.432 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.5 m -66.1 -51.62 56.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 110.006 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.792 ' HB2' HG21 ' A' ' 57' ' ' ILE . 41.6 t80 -54.91 -38.55 67.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 111.008 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.66 ' HB1' ' CD2' ' A' ' 102' ' ' PHE . . . -56.12 -52.6 63.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -54.01 -23.86 14.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.979 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.838 HD22 HG13 ' A' ' 50' ' ' ILE . 22.0 mt -88.5 -20.26 25.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.434 HG22 ' HB2' ' A' ' 98' ' ' ALA . 0.9 OUTLIER -97.18 118.79 64.29 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 110.383 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.558 ' HA ' ' CE2' ' A' ' 140' ' ' TYR . 18.2 Cg_endo -75.08 -26.09 11.13 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.497 1.788 . . . . 0.0 110.968 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -58.83 87.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 93' ' ' PRO . 91.5 mt-10 -40.6 -46.93 2.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.495 HG23 ' N ' ' A' ' 97' ' ' GLU . 13.4 t -52.64 -53.17 50.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.384 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.495 ' N ' HG23 ' A' ' 96' ' ' THR . 4.8 mm-40 -70.65 -49.91 42.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.295 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.434 ' HB2' HG22 ' A' ' 92' ' ' THR . . . -52.93 -54.48 34.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.33 -51.89 67.58 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -49.21 -49.18 44.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.632 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.426 ' OD1' ' CD1' ' A' ' 85' ' ' TYR . 0.5 OUTLIER -67.03 -46.89 73.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.669 ' HD1' ' HB1' ' A' ' 132' ' ' ALA . 0.9 OUTLIER -55.24 -42.75 73.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.03 -22.01 59.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.595 HD22 ' CE2' ' A' ' 108' ' ' PHE . 0.1 OUTLIER -71.99 -45.13 62.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.143 . . . . 0.0 109.311 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -53.23 -33.95 55.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.499 ' OG1' HG23 ' A' ' 129' ' ' THR . 19.8 m -61.24 -55.63 29.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 110.413 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -50.84 -27.33 7.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 110.254 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.743 ' HD1' HG13 ' A' ' 78' ' ' VAL . 16.4 m-85 -83.27 -48.39 10.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 110.955 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.679 ' O ' HG13 ' A' ' 113' ' ' VAL . 14.6 m-85 -55.2 -22.34 17.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.448 1.093 . . . . 0.0 111.013 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -74.32 -25.79 59.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.28 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.974 ' HB2' HG11 ' A' ' 78' ' ' VAL . 36.0 mt-30 -81.74 -41.52 21.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.331 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -57.69 -48.72 78.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.138 . . . . 0.0 109.3 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.679 HG13 ' O ' ' A' ' 109' ' ' PHE . 4.2 m -66.77 -39.57 83.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.15 -45.91 11.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -69.67 -38.37 77.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.347 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -159.58 89.16 1.97 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 110.297 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.457 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.2 Cg_endo -75.0 -3.52 14.05 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.513 1.796 . . . . 0.0 111.009 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -87.3 -12.07 47.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -65.16 111.08 2.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 72.0 p -57.46 -23.81 51.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.399 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -70.28 -58.61 3.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.564 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.64 ' HB3' HG12 ' A' ' 113' ' ' VAL . 12.4 m-30 -57.91 -34.62 70.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.875 ' O ' HD22 ' A' ' 123' ' ' LEU . 0.0 OUTLIER -59.31 -50.33 74.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.431 1.082 . . . . 0.0 109.299 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.805 ' N ' HD13 ' A' ' 123' ' ' LEU . 13.4 tptt -62.63 -43.14 99.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.99 -48.51 75.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.064 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 32.6 tp -70.79 -44.88 65.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.66 -47.09 70.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 110.331 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 2.2 mmm -67.62 -39.3 84.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 110.972 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.499 HG23 ' OG1' ' A' ' 106' ' ' THR . 0.3 OUTLIER -60.47 -19.63 57.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.403 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -47.08 -49.85 20.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.417 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 2.8 mtmt -101.89 42.93 1.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.731 ' HB3' ' HD3' ' A' ' 133' ' ' PRO . . . -59.64 -50.31 87.59 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' PRO . . . . . 0.731 ' HD3' ' HB3' ' A' ' 132' ' ' ALA . 18.3 Cg_endo -74.99 -24.15 13.12 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.504 1.792 . . . . 0.0 111.027 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 42.3 tp60 -80.18 -47.24 14.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 110.314 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.738 ' O ' ' HB2' ' A' ' 139' ' ' ALA . 16.8 mt -54.38 -37.93 65.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 136' ' ' HIS . . . . . 0.595 ' HB2' ' CE2' ' A' ' 102' ' ' PHE . 56.4 t-80 -67.12 -43.63 81.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.582 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.549 ' O ' ' CB ' ' A' ' 141' ' ' LYS . . . -62.06 -53.32 57.14 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.486 ' CG ' ' HA ' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -69.05 -30.55 68.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.738 ' HB2' ' O ' ' A' ' 135' ' ' LEU . . . -58.44 -50.34 74.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 140' ' ' TYR . . . . . 0.558 ' CE2' ' HA ' ' A' ' 93' ' ' PRO . 6.9 m-85 -86.43 -40.93 14.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.964 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.549 ' CB ' ' O ' ' A' ' 137' ' ' ALA . 0.0 OUTLIER -58.07 -48.01 81.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.6 108.71 18.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 110.277 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 119.77 62.92 0.27 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.502 1.127 . . . . 0.0 111.023 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -174.2 -64.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 0.789 . . . . 0.0 109.293 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -165.33 92.07 0.11 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.545 1.153 . . . . 0.0 111.034 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -101.88 -162.31 26.79 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 2.3 t 53.6 99.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 0.74 . . . . 0.0 109.987 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 42.5 t60 -149.72 -61.95 0.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.609 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -162.51 123.07 2.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.567 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -161.13 105.37 1.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.567 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 57.2 m80 -152.65 -62.53 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 109.553 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 4.2 m80 -65.26 162.55 17.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.629 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 1.3 m80 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.618 -179.993 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -44.86 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.517 1.798 . . . . 0.0 111.027 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 1.1 tt 64.47 90.05 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 169.27 122.75 0.64 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.485 1.116 . . . . 0.0 110.964 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.82 -33.53 34.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 0.738 . . . . 0.0 109.973 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 57.62 172.58 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 111.004 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 63.59 91.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 68.5 p -132.98 -43.78 0.87 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.394 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.565 ' O ' ' CB ' ' A' ' 5' ' ' THR . 0.6 OUTLIER 53.96 172.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 110.295 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.754 HG22 ' CD2' ' A' ' 7' ' ' PHE . 2.2 m 86.94 -34.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 110.373 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.517 ' CB ' ' O ' ' A' ' 5' ' ' THR . 0.4 OUTLIER 88.25 -39.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.279 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.754 ' CD2' HG22 ' A' ' 5' ' ' THR . 17.8 m-85 -53.06 -55.25 25.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -48.52 -36.94 16.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.4 ttm-85 -74.93 -31.74 61.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.34 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.457 HG23 HD22 ' A' ' 44' ' ' LEU . 42.5 mt -65.39 -41.33 90.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.4 mt -57.61 -44.77 85.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.716 ' CD1' HD11 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -57.97 -46.43 85.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.8 ' HD1' HG23 ' A' ' 40' ' ' VAL . 6.4 m-85 -64.0 -37.07 86.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 110.985 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -60.43 -57.26 13.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 1.085 . . . . 0.0 110.268 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.517 ' HG3' ' N ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -53.62 -27.81 29.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.289 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.716 HD11 ' CD1' ' A' ' 12' ' ' LEU . 52.1 mt -71.4 -53.5 20.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.487 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 13.3 ttp180 -52.44 -51.71 57.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.321 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.43 ' NE2' ' OD1' ' A' ' 22' ' ' ASN . 2.6 tp60 -55.06 -54.77 38.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 110.326 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 23' ' ' THR . 0.1 OUTLIER -57.93 -37.18 73.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.73 ' HB1' ' CG ' ' A' ' 37' ' ' TRP . . . -56.5 -43.21 79.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.619 ' HG2' ' CZ2' ' A' ' 37' ' ' TRP . 3.0 mt-10 -66.51 -38.24 86.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.425 1.078 . . . . 0.0 110.292 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.43 ' OD1' ' NE2' ' A' ' 18' ' ' GLN . 1.1 m120 -73.72 -33.54 64.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.455 HG21 ' CG ' ' A' ' 33' ' ' ASN . 2.2 m -63.29 -22.74 67.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.396 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.404 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -64.74 -61.67 2.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 111.007 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.6 -23.99 67.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.74 -40.36 29.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.138 . . . . 0.0 110.007 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 23' ' ' THR . 2.2 m-20 -168.11 89.41 0.67 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 0.35 9.0 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.499 1.789 . . . . 0.0 111.01 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.895 ' O ' HG21 ' A' ' 70' ' ' ILE . 18.8 mt -90.42 -21.45 21.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.41 ' O ' ' HB2' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -64.54 98.34 0.25 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.429 1.081 . . . . 0.0 109.302 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.798 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . . . -74.66 -45.06 47.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.339 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -48.98 -50.46 35.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.568 1.168 . . . . 0.0 109.293 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.455 ' CG ' HG21 ' A' ' 23' ' ' THR . 0.7 OUTLIER -66.28 -46.17 77.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.91 HD22 ' O ' ' A' ' 63' ' ' LYS . 0.2 OUTLIER -52.8 -50.32 63.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.448 ' CG2' ' HG2' ' A' ' 76' ' ' GLU . 72.4 m -57.68 -35.82 71.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 110.38 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.53 ' HD3' HG21 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -70.31 -26.31 63.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.73 ' CG ' ' HB1' ' A' ' 20' ' ' ALA . 5.9 t90 -65.44 -28.16 69.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 108.035 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.626 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -83.28 -60.1 2.06 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -42.02 -44.46 4.7 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.8 HG23 ' HD1' ' A' ' 13' ' ' PHE . 5.1 p -67.43 -38.97 81.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 38' ' ' GLY . 14.8 mt -60.96 -42.64 98.66 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.259 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 17.7 mt -65.59 -36.95 85.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -65.79 -58.34 5.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.253 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.689 HD21 ' HB2' ' A' ' 13' ' ' PHE . 71.8 mt -60.61 -30.23 69.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -53.66 -37.81 63.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.004 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.456 ' HG2' ' N ' ' A' ' 47' ' ' PHE . 3.7 pt20 -68.05 -37.48 81.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.456 ' N ' ' HG2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -78.28 -22.64 47.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 111.027 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.452 ' O ' ' HB3' ' A' ' 49' ' ' SER . 0.4 OUTLIER -78.88 -93.5 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.502 1.126 . . . . 0.0 109.601 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.503 ' O ' ' N ' ' A' ' 53' ' ' ALA . 35.1 p 177.66 153.39 0.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.959 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.742 ' CG1' HD22 ' A' ' 91' ' ' LEU . 0.1 OUTLIER -48.27 -46.84 13.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 109.347 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 47.9 t -47.12 -57.64 4.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 109.982 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.416 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 24.1 m-20 -75.02 -45.07 44.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.552 ' HB3' ' HA ' ' A' ' 50' ' ' ILE . . . -45.25 -36.11 3.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.488 ' CD ' HG23 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -65.47 -58.37 5.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.416 ' HG2' ' O ' ' A' ' 52' ' ' ASP . 6.6 pt20 -62.46 -36.09 81.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.312 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 82.8 mtp -67.6 -32.36 73.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.964 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.904 HG21 ' HB2' ' A' ' 88' ' ' PHE . 22.1 mt -71.84 -46.12 62.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.405 ' O ' HG23 ' A' ' 62' ' ' THR . 6.9 mt-30 -51.24 -51.23 55.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.302 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.431 ' HG2' ' N ' ' A' ' 60' ' ' ALA . 2.4 pt-20 -66.69 -35.22 79.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 110.323 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.431 ' N ' ' HG2' ' A' ' 59' ' ' GLU . . . -59.72 -32.45 70.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.442 HG22 ' N ' ' A' ' 62' ' ' THR . 0.4 OUTLIER -69.87 -57.28 8.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.234 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.442 ' N ' HG22 ' A' ' 61' ' ' ILE . 72.0 p -49.19 -35.57 17.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.396 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.91 ' O ' HD22 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -62.4 -42.55 99.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.626 ' CE1' ' HA3' ' A' ' 38' ' ' GLY . 21.3 m-85 -67.04 -40.43 87.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.974 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -50.71 -55.46 16.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.314 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.57 ' HA ' HD12 ' A' ' 69' ' ' LEU . 4.9 tt0 -57.55 -35.27 70.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.327 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.419 ' HA ' HD12 ' A' ' 70' ' ' ILE . . . -66.2 -46.5 77.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.76 HD21 HG23 ' A' ' 78' ' ' VAL . 10.1 mt -57.34 -28.98 63.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.57 HD12 ' HA ' ' A' ' 66' ' ' GLU . 0.9 OUTLIER -68.61 -45.14 72.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.254 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.895 HG21 ' O ' ' A' ' 29' ' ' LEU . 5.0 mt -65.63 -43.05 94.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 109.25 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -144.11 110.06 5.07 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -19.36 17.92 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.494 1.786 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -82.78 3.35 29.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -67.92 77.41 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.1 -30.54 26.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.448 ' HG2' ' CG2' ' A' ' 35' ' ' THR . 72.9 tt0 -67.18 -52.76 37.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 110.364 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.16 -32.79 37.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.999 HG11 ' HB2' ' A' ' 111' ' ' GLN . 14.7 t -74.6 -53.59 16.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.622 ' CD1' ' ND2' ' A' ' 83' ' ' ASN . 0.3 OUTLIER -58.2 -46.74 85.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 108.03 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 64' ' ' PHE . 0.5 OUTLIER -50.6 -54.17 24.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 108.282 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.599 ' CG2' ' CE2' ' A' ' 85' ' ' TYR . 68.9 mt -51.91 -39.49 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -68.78 -41.11 84.32 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.52 1.137 . . . . 0.0 111.043 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.622 ' ND2' ' CD1' ' A' ' 79' ' ' TRP . 1.6 m-80 -64.46 -37.99 89.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 0.765 . . . . 0.0 109.347 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.627 ' HB1' HG23 ' A' ' 57' ' ' ILE . . . -63.81 -55.29 24.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.599 ' CE2' ' CG2' ' A' ' 81' ' ' ILE . 13.0 m-85 -58.45 -47.03 85.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.957 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.502 HG23 ' CE1' ' A' ' 102' ' ' PHE . 42.5 m -57.99 -46.76 84.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 110.395 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.411 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 2.0 m -66.92 -52.09 47.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.0 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.904 ' HB2' HG21 ' A' ' 57' ' ' ILE . 40.7 t80 -52.27 -35.18 49.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 111.03 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.554 ' HB1' ' HB1' ' A' ' 98' ' ' ALA . . . -58.51 -49.38 77.57 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -58.01 -21.51 45.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 0.0 111.013 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.742 HD22 ' CG1' ' A' ' 50' ' ' ILE . 1.4 mt -95.82 -4.14 44.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.441 HG21 ' HB2' ' A' ' 97' ' ' GLU . 1.2 m -98.32 106.38 35.29 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.382 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.552 ' HA ' ' CE2' ' A' ' 140' ' ' TYR . 18.5 Cg_endo -74.99 -13.15 21.51 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.437 1.756 . . . . 0.0 111.049 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.633 ' O ' ' CB ' ' A' ' 95' ' ' GLU . 0.2 OUTLIER -58.29 -50.08 74.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.095 . . . . 0.0 109.309 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.633 ' CB ' ' O ' ' A' ' 94' ' ' ASP . 3.3 mm-40 97.68 -56.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 110.274 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -57.7 -40.22 79.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 110.414 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.441 ' HB2' HG21 ' A' ' 92' ' ' THR . 7.6 mt-10 -75.89 -35.62 59.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.289 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.554 ' HB1' ' HB1' ' A' ' 89' ' ' ALA . . . -68.39 -52.88 28.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 10.3 tttt -56.0 -51.65 67.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.79 -44.07 66.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.555 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.412 ' ND2' ' O ' ' A' ' 97' ' ' GLU . 18.9 m-80 -62.12 -52.65 63.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.83 ' HB3' ' HB1' ' A' ' 132' ' ' ALA . 7.8 m-85 -50.99 -44.77 60.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.74 -19.33 62.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.484 HD23 ' HG2' ' A' ' 107' ' ' GLN . 0.1 OUTLIER -78.7 -47.52 16.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.847 ' HB1' ' CZ ' ' A' ' 109' ' ' PHE . . . -58.37 -24.46 59.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 3.1 m -61.15 -55.79 28.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.401 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.484 ' HG2' HD23 ' A' ' 104' ' ' LEU . 0.0 OUTLIER -57.12 -23.31 46.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.279 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.763 ' HD1' HG13 ' A' ' 78' ' ' VAL . 13.5 m-85 -82.6 -47.29 12.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.847 ' CZ ' ' HB1' ' A' ' 105' ' ' ALA . 20.0 m-30 -53.33 -32.06 47.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 111.042 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.94 -30.2 68.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.248 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.999 ' HB2' HG11 ' A' ' 78' ' ' VAL . 56.5 mt-30 -81.55 -42.71 19.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.325 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.542 ' O ' ' CD2' ' A' ' 122' ' ' TYR . . . -61.98 -49.18 77.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.262 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.723 HG12 ' HB3' ' A' ' 122' ' ' TYR . 10.1 m -67.37 -33.55 63.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -44.99 -45.04 10.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.417 ' C ' ' HG2' ' A' ' 116' ' ' GLN . 61.3 mm-40 -75.08 -44.97 44.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.294 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.417 ' HG2' ' C ' ' A' ' 115' ' ' GLU . 1.4 mm-40 -139.16 83.26 18.08 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.258 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.475 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.4 Cg_endo -74.96 -14.56 21.19 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.507 1.793 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -92.59 -12.14 32.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -61.33 120.91 11.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 38.1 p -56.97 -30.44 64.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.376 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 3.0 m80 -70.27 -59.68 2.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.576 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.723 ' HB3' HG12 ' A' ' 113' ' ' VAL . 10.6 m-30 -60.41 -23.33 64.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 111.03 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 1.002 ' O ' HD22 ' A' ' 123' ' ' LEU . 0.0 OUTLIER -73.32 -45.8 53.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.1 . . . . 0.0 109.265 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.651 ' N ' HD13 ' A' ' 123' ' ' LEU . 12.1 tptt -58.5 -44.54 89.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.55 -43.34 89.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.008 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 45.0 tp -71.18 -40.36 71.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.274 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.99 -34.47 76.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.279 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' MET . . . . . 0.424 ' N ' ' O ' ' A' ' 124' ' ' LYS . 0.6 OUTLIER -54.66 -32.41 59.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.763 ' HA ' ' HB2' ' A' ' 132' ' ' ALA . 20.8 p -63.49 -34.04 76.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.359 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 129' ' ' THR . . . -39.75 -46.5 1.91 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.168 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -123.63 46.22 2.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.83 ' HB1' ' HB3' ' A' ' 102' ' ' PHE . . . -64.82 -50.41 63.72 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' PRO . . . . . 0.736 ' HD3' ' HB3' ' A' ' 132' ' ' ALA . 18.3 Cg_endo -74.97 -25.58 11.78 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.475 1.776 . . . . 0.0 110.987 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' GLN . . . . . 0.451 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 8.1 mm-40 -80.52 -51.01 9.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 110.276 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.742 ' O ' ' HB2' ' A' ' 139' ' ' ALA . 37.5 mt -48.43 -42.3 31.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 136' ' ' HIS . . . . . 0.57 ' CE1' ' HA ' ' A' ' 95' ' ' GLU . 58.9 t-80 -67.07 -45.06 78.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.637 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.523 ' O ' ' CB ' ' A' ' 141' ' ' LYS . . . -61.79 -53.13 60.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.467 ' CG ' ' HA ' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -68.45 -27.77 66.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.243 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.742 ' HB2' ' O ' ' A' ' 135' ' ' LEU . . . -59.02 -53.15 61.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 140' ' ' TYR . . . . . 0.552 ' CE2' ' HA ' ' A' ' 93' ' ' PRO . 10.5 m-85 -85.37 -41.39 15.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.977 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.523 ' CB ' ' O ' ' A' ' 137' ' ' ALA . 2.6 tmmm? -57.95 -48.07 81.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 142' ' ' GLN . . . . . 0.428 ' CB ' ' O ' ' A' ' 138' ' ' GLU . 2.2 tp60 -83.44 124.8 31.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.422 1.076 . . . . 0.0 110.331 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 159.46 -137.36 5.08 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.49 1.118 . . . . 0.0 110.962 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 65.73 171.77 0.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 0.737 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -70.87 131.0 20.62 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.546 1.154 . . . . 0.0 111.055 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 98.55 -81.47 0.6 Allowed Glycine 0 CA--C 1.53 1.025 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.59 137.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 0.784 . . . . 0.0 109.994 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -53.47 145.82 13.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.585 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -78.99 113.86 17.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.605 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.34 171.59 1.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.609 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -68.64 155.25 40.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.637 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 47.5 p-80 -88.87 157.32 18.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.589 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 8.2 t-160 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.62 -179.997 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -53.31 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.534 1.807 . . . . 0.0 111.019 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 3.0 mp 70.07 -68.25 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 81.35 54.83 3.4 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.84 -31.36 31.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 0.755 . . . . 0.0 110.001 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.75 137.95 57.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -167.66 -66.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.489 HG23 ' H ' ' A' ' 5' ' ' THR . 4.8 t -102.56 -33.63 9.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.419 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 50.73 23.94 1.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.315 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.521 ' O ' ' CB ' ' A' ' 6' ' ' GLU . 60.9 m -87.81 16.1 6.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 110.363 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.521 ' CB ' ' O ' ' A' ' 5' ' ' THR . 1.3 pt-20 88.15 -36.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.278 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.442 ' N ' ' HG2' ' A' ' 6' ' ' GLU . 21.2 m-85 -58.24 -49.52 76.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.53 -37.89 63.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.454 ' CG ' ' CE2' ' A' ' 13' ' ' PHE . 8.6 ttm180 -67.4 -34.92 78.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.344 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.914 HG23 HD21 ' A' ' 44' ' ' LEU . 1.7 mt -66.49 -42.18 89.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.514 HD23 ' N ' ' A' ' 11' ' ' LEU . 5.0 mt -53.72 -38.83 64.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.578 ' CD1' HD11 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -68.67 -46.04 70.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.592 ' HD1' HG23 ' A' ' 40' ' ' VAL . 7.7 m-85 -63.87 -29.57 70.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -64.02 -53.96 41.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.508 ' HG3' ' N ' ' A' ' 16' ' ' ILE . 0.9 OUTLIER -56.78 -31.28 64.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.578 HD11 ' CD1' ' A' ' 12' ' ' LEU . 41.5 mt -71.66 -45.38 67.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -52.79 -53.87 42.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.268 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.496 ' HG3' ' N ' ' A' ' 19' ' ' ASP . 7.8 pt20 -63.27 -36.94 85.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.326 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.496 ' N ' ' HG3' ' A' ' 18' ' ' GLN . 0.5 OUTLIER -68.46 -41.44 80.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.975 ' HB1' ' HB2' ' A' ' 37' ' ' TRP . . . -73.68 -57.53 3.92 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.127 . . . . 0.0 109.279 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.56 ' HG3' ' CZ2' ' A' ' 37' ' ' TRP . 2.8 tt0 -50.87 -51.63 49.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 110.321 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.428 ' CB ' ' O ' ' A' ' 18' ' ' GLN . 28.6 t30 -61.9 -46.04 91.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.761 HG22 ' OD2' ' A' ' 30' ' ' ASP . 1.8 m -55.01 -28.11 49.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 110.341 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.456 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 10.9 t80 -49.77 -60.72 2.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.411 ' HD3' ' HA ' ' A' ' 22' ' ' ASN . 0.0 OUTLIER -62.32 -26.91 68.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.336 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.44 -31.56 68.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.994 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.469 ' O ' ' CG ' ' A' ' 30' ' ' ASP . 2.7 m-80 -169.66 94.47 0.51 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 109.336 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 1.72 7.45 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.531 1.806 . . . . 0.0 110.969 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.81 ' O ' HG21 ' A' ' 70' ' ' ILE . 11.7 mt -101.88 6.68 41.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.761 ' OD2' HG22 ' A' ' 23' ' ' THR . 50.2 p-10 -87.28 98.01 11.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.826 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . . . -73.23 -31.15 63.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.329 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.43 -55.35 16.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.103 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.562 ' CG ' HG21 ' A' ' 23' ' ' THR . 2.9 m-80 -68.48 -34.15 75.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 1.023 ' HG ' ' HB2' ' A' ' 67' ' ' ALA . 7.4 tp -67.08 -42.93 83.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.578 HG22 ' OE2' ' A' ' 76' ' ' GLU . 41.1 m -68.84 -42.45 77.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 110.43 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.442 ' CZ ' ' CB ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -68.28 -25.11 65.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.975 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . 12.6 t90 -67.19 -27.14 67.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.132 . . . . 0.0 107.993 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.592 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -85.53 -54.51 2.79 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.559 1.162 . . . . 0.0 110.983 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -43.58 -41.62 5.55 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.592 HG23 ' HD1' ' A' ' 13' ' ' PHE . 0.7 OUTLIER -67.38 -48.72 76.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.528 0.781 . . . . 0.0 109.229 -179.936 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.484 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 21.4 mt -48.44 -45.2 36.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 14.1 mt -65.52 -37.1 85.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.559 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 12.4 mm-40 -63.42 -57.52 10.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.914 HD21 HG23 ' A' ' 10' ' ' ILE . 11.3 mt -55.15 -34.56 63.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.7 m -59.6 -12.71 7.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.033 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -68.08 -14.13 62.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.66 ' CE2' HD13 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -158.2 22.15 0.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.97 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.483 ' O ' ' CB ' ' A' ' 49' ' ' SER . 0.1 OUTLIER -96.64 5.22 51.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.65 179.93 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.483 ' CB ' ' O ' ' A' ' 48' ' ' HIS . 0.7 OUTLIER 84.02 128.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.001 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.869 ' CG1' HD22 ' A' ' 91' ' ' LEU . 0.5 OUTLIER -47.3 -48.04 9.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.404 ' N ' HG22 ' A' ' 50' ' ' ILE . 47.9 t -44.8 -56.09 4.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.977 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -71.87 -45.13 62.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.649 ' O ' HD12 ' A' ' 57' ' ' ILE . . . -44.8 -35.03 2.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.334 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.7 mtpt -64.59 -58.06 7.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.365 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -63.37 -35.32 80.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.243 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 89.2 mtp -67.51 -34.27 76.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 111.019 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.916 HG21 ' HB2' ' A' ' 88' ' ' PHE . 19.2 mt -72.82 -47.53 49.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -47.26 -54.45 10.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.335 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.46 ' CG ' HD13 ' A' ' 41' ' ' LEU . 5.5 pt-20 -65.18 -35.34 80.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 110.263 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.485 ' O ' ' CD2' ' A' ' 64' ' ' PHE . . . -59.7 -28.97 67.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.413 HG22 ' N ' ' A' ' 62' ' ' THR . 0.4 OUTLIER -78.09 -57.36 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.413 ' N ' HG22 ' A' ' 61' ' ' ILE . 72.3 p -49.68 -28.38 5.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 110.416 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.489 ' NZ ' ' CH2' ' A' ' 37' ' ' TRP . 0.1 OUTLIER -69.35 -48.65 60.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 0.0 109.262 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.592 ' CE1' ' HA3' ' A' ' 38' ' ' GLY . 20.9 m-85 -60.92 -37.88 83.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.959 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.07 -56.06 12.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 110.317 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.477 ' HB3' HD21 ' A' ' 34' ' ' LEU . 1.4 tp10 -66.27 -35.13 79.61 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.473 1.108 . . . . 0.0 110.322 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 1.023 ' HB2' ' HG ' ' A' ' 34' ' ' LEU . . . -63.01 -38.54 91.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.684 HD21 HG23 ' A' ' 78' ' ' VAL . 6.0 mt -65.26 -29.61 70.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.44 HD12 ' HA ' ' A' ' 66' ' ' GLU . 0.5 OUTLIER -67.88 -33.46 74.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.826 ' HB ' ' HB2' ' A' ' 31' ' ' ALA . 5.6 mt -75.78 -39.57 38.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.466 ' OD2' ' N ' ' A' ' 74' ' ' LYS . 31.2 t70 -145.21 107.36 4.5 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -26.16 11.17 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.492 1.785 . . . . 0.0 110.979 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.84 7.17 13.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.466 ' N ' ' OD2' ' A' ' 71' ' ' ASP . 4.5 tppt? -73.1 78.42 1.23 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.33 -24.92 8.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.578 ' OE2' HG22 ' A' ' 35' ' ' THR . 4.0 tt0 -69.85 -53.98 15.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.314 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.46 -33.05 42.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.972 HG11 ' HB2' ' A' ' 111' ' ' GLN . 24.7 t -74.73 -53.31 16.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.432 ' CE3' ' HG2' ' A' ' 76' ' ' GLU . 0.4 OUTLIER -57.99 -47.33 83.31 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.589 ' HB3' ' CZ ' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -50.1 -53.97 23.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 108.298 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.754 HG21 ' CZ ' ' A' ' 108' ' ' PHE . 66.3 mt -51.95 -40.22 27.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -71.22 -43.38 55.73 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.462 1.101 . . . . 0.0 110.986 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -64.55 -33.16 75.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 0.77 . . . . 0.0 109.299 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.553 ' HB1' HG23 ' A' ' 57' ' ' ILE . . . -69.86 -54.76 12.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.588 ' CE2' HD13 ' A' ' 104' ' ' LEU . 4.8 m-85 -56.19 -47.39 78.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.523 HG23 ' CE1' ' A' ' 102' ' ' PHE . 40.9 m -54.66 -46.14 73.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.428 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 47.7 t -66.95 -51.3 56.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.994 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.916 ' HB2' HG21 ' A' ' 57' ' ' ILE . 35.9 t80 -53.89 -31.69 50.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.28 -45.91 89.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.478 ' O ' ' CE1' ' A' ' 140' ' ' TYR . 32.8 m-85 -60.49 -21.41 62.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.997 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.869 HD22 ' CG1' ' A' ' 50' ' ' ILE . 0.8 OUTLIER -95.55 -4.74 44.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.25 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -97.5 109.06 48.67 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.393 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.557 ' HA ' ' CE2' ' A' ' 140' ' ' TYR . 18.4 Cg_endo -75.05 48.23 1.96 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.476 1.777 . . . . 0.0 110.979 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.444 ' O ' ' CB ' ' A' ' 98' ' ' ALA . 3.2 m-20 -152.34 121.08 6.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -64.37 -45.77 86.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.113 . . . . 0.0 110.3 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.464 ' CG2' ' N ' ' A' ' 97' ' ' GLU . 6.9 t -51.64 -50.52 60.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.427 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.464 ' N ' ' CG2' ' A' ' 96' ' ' THR . 3.4 mm-40 -75.98 -50.21 15.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.428 1.08 . . . . 0.0 110.314 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.444 ' CB ' ' O ' ' A' ' 94' ' ' ASP . . . -52.78 -53.38 49.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 53.4 tttp -59.47 -53.19 61.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -48.87 -43.65 39.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.584 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -63.77 -54.41 35.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.799 ' HB3' ' HB1' ' A' ' 132' ' ' ALA . 4.0 m-85 -51.1 -49.0 61.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -64.45 -22.09 66.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.588 HD13 ' CE2' ' A' ' 85' ' ' TYR . 0.0 OUTLIER -75.58 -47.59 26.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.556 ' HB1' ' CZ ' ' A' ' 109' ' ' PHE . . . -62.24 -23.8 66.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.412 ' HA ' ' CD2' ' A' ' 109' ' ' PHE . 2.3 m -64.31 -54.58 30.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 110.429 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.413 ' HG2' HD23 ' A' ' 104' ' ' LEU . 0.5 OUTLIER -54.75 -23.63 18.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.17 . . . . 0.0 110.329 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.773 ' HD1' HG13 ' A' ' 78' ' ' VAL . 12.5 m-85 -82.72 -46.18 13.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.556 ' CZ ' ' HB1' ' A' ' 105' ' ' ALA . 21.8 m-30 -53.67 -37.03 62.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 111.023 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -56.72 -29.16 62.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.972 ' HB2' HG11 ' A' ' 78' ' ' VAL . 61.5 mt-30 -80.99 -42.91 20.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 110.326 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.65 -51.67 68.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.322 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.806 HG12 ' HB3' ' A' ' 122' ' ' TYR . 5.2 m -64.88 -38.99 84.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -45.4 -47.97 13.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -68.29 -37.23 80.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 110.293 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.529 ' NE2' ' OD1' ' A' ' 119' ' ' ASN . 2.2 tt0 -161.73 90.33 1.46 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.137 . . . . 0.0 110.296 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.468 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.1 Cg_endo -75.03 -3.09 13.41 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.5 1.789 . . . . 0.0 110.993 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -86.02 -8.3 58.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.529 ' OD1' ' NE2' ' A' ' 116' ' ' GLN . 1.1 m-20 -71.54 118.43 14.35 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.566 1.166 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 62.1 p -55.49 -50.8 68.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.377 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 8.6 m80 -49.63 -59.33 3.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.593 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.806 ' HB3' HG12 ' A' ' 113' ' ' VAL . 10.4 m-30 -51.83 -34.27 39.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.888 ' O ' HD22 ' A' ' 123' ' ' LEU . 0.0 OUTLIER -65.93 -52.09 52.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.745 ' N ' HD13 ' A' ' 123' ' ' LEU . 1.5 tptp -57.65 -40.45 79.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.467 ' O ' HG23 ' A' ' 129' ' ' THR . 0.8 OUTLIER -62.43 -39.3 92.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.96 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.473 HD12 ' HA ' ' A' ' 126' ' ' LEU . 10.9 tp -73.41 -44.79 57.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.54 -33.07 74.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.246 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' MET . . . . . 0.403 ' N ' ' O ' ' A' ' 124' ' ' LYS . 21.8 mmm -57.49 -29.35 64.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.467 HG22 ' HE2' ' A' ' 109' ' ' PHE . 14.0 p -68.54 -29.96 68.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 110.377 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -42.31 -48.54 5.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.413 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 0.7 OUTLIER -114.24 48.48 1.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.812 ' HB3' ' HD3' ' A' ' 133' ' ' PRO . . . -63.66 -52.86 55.58 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.262 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' PRO . . . . . 0.812 ' HD3' ' HB3' ' A' ' 132' ' ' ALA . 18.3 Cg_endo -75.04 -23.87 13.31 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.506 1.793 . . . . 0.0 110.986 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' GLN . . . . . 0.461 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 6.3 tp-100 -80.47 -50.68 9.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.715 ' O ' ' HB2' ' A' ' 139' ' ' ALA . 59.0 mt -51.58 -40.57 60.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.268 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -68.02 -44.58 76.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.617 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.521 ' O ' ' CB ' ' A' ' 141' ' ' LYS . . . -61.79 -52.44 64.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.258 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.47 ' CG ' ' HA ' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -68.92 -27.03 65.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.715 ' HB2' ' O ' ' A' ' 135' ' ' LEU . . . -63.94 -50.65 67.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 140' ' ' TYR . . . . . 0.557 ' CE2' ' HA ' ' A' ' 93' ' ' PRO . 6.4 m-85 -84.17 -43.22 15.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.974 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.521 ' CB ' ' O ' ' A' ' 137' ' ' ALA . 1.3 ttpt -57.34 -48.11 79.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.69 127.26 34.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 172.36 -115.12 0.55 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.478 1.111 . . . . 0.0 110.984 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.4 tt -68.48 -65.17 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 0.769 . . . . 0.0 109.32 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -70.01 -116.66 0.04 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.471 1.107 . . . . 0.0 110.995 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 96.72 102.87 2.08 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 2.2 m -162.16 81.93 0.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 0.751 . . . . 0.0 109.991 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 7.5 t-80 -108.82 129.72 55.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.576 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 10.7 m170 -42.76 111.23 0.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.584 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -160.85 166.82 27.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.605 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -43.45 162.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.602 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 27.3 m-70 -72.58 129.08 37.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.628 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 33.1 m170 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.608 -179.979 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' -3' ' ' PRO . . . . . 0.488 ' O ' HD12 ' A' ' -2' ' ' LEU . 18.3 Cg_endo -74.95 170.23 20.86 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.493 1.786 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' -2' ' ' LEU . . . . . 0.488 HD12 ' O ' ' A' ' -3' ' ' PRO . 0.3 OUTLIER -166.96 66.41 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -175.56 -67.05 0.05 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.477 1.111 . . . . 0.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 54.6 p -73.89 -36.35 64.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 0.793 . . . . 0.0 109.981 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER 63.44 79.86 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 111.04 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.96 168.83 12.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.442 HG23 ' N ' ' A' ' 4' ' ' GLU . 0.5 OUTLIER 56.64 171.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 110.424 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.512 ' O ' ' CB ' ' A' ' 5' ' ' THR . 0.3 OUTLIER 70.68 -165.57 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.327 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.524 ' O ' ' CB ' ' A' ' 6' ' ' GLU . 2.0 m 82.93 21.39 0.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.4 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.524 ' CB ' ' O ' ' A' ' 5' ' ' THR . 2.1 pt-20 88.4 -33.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 110.322 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.438 ' N ' ' HG2' ' A' ' 6' ' ' GLU . 17.7 m-30 -54.78 -54.34 43.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 111.034 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.75 -39.45 24.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.5 ttm180 -72.37 -36.71 68.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 110.295 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 1.019 HG23 ' CD2' ' A' ' 44' ' ' LEU . 16.1 mt -62.77 -33.85 62.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.528 HD23 ' N ' ' A' ' 11' ' ' LEU . 4.4 mt -63.67 -41.11 98.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.883 HD12 HD12 ' A' ' 16' ' ' ILE . 0.2 OUTLIER -61.38 -47.96 83.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.749 ' CD1' HG23 ' A' ' 40' ' ' VAL . 13.8 m-85 -63.81 -25.38 68.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.972 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.426 ' CG ' ' O ' ' A' ' 10' ' ' ILE . 3.0 mm-40 -68.0 -55.94 10.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.237 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.477 ' HG3' ' N ' ' A' ' 16' ' ' ILE . 3.8 pt20 -55.99 -29.41 60.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.328 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.883 HD12 HD12 ' A' ' 12' ' ' LEU . 12.7 mt -71.45 -51.04 36.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 109.345 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.51 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 2.3 ttt180 -51.36 -58.49 6.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.261 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.43 ' HG3' ' N ' ' A' ' 19' ' ' ASP . 18.1 pt20 -50.77 -46.32 59.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.322 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.43 ' N ' ' HG3' ' A' ' 18' ' ' GLN . 0.1 OUTLIER -62.89 -28.47 70.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.739 ' HB1' ' CG ' ' A' ' 37' ' ' TRP . . . -70.98 -41.91 70.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.659 ' HG2' ' CZ2' ' A' ' 37' ' ' TRP . 2.9 mt-10 -66.46 -40.46 89.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 110.285 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.486 ' HA ' ' CE ' ' A' ' 25' ' ' LYS . 11.2 t-20 -75.52 -36.71 60.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.344 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.587 HG21 ' CG ' ' A' ' 33' ' ' ASN . 1.3 m -60.41 -26.23 66.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.412 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.452 ' O ' ' CD ' ' A' ' 28' ' ' PRO . 0.0 OUTLIER -54.58 -60.92 2.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.994 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.486 ' CE ' ' HA ' ' A' ' 22' ' ' ASN . 0.0 OUTLIER -64.09 -26.76 68.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.5 t -71.82 -39.5 69.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.988 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -169.57 84.53 0.62 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.452 ' CD ' ' O ' ' A' ' 24' ' ' TYR . 18.3 Cg_endo -74.98 -0.87 10.48 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.44 1.758 . . . . 0.0 111.028 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.811 ' O ' HG21 ' A' ' 70' ' ' ILE . 9.8 mt -91.08 -23.62 20.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -64.58 99.44 0.31 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.807 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . . . -74.01 -21.76 59.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -69.81 -47.5 62.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.266 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.587 ' CG ' HG21 ' A' ' 23' ' ' THR . 0.2 OUTLIER -70.94 -40.06 72.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.847 HD22 ' O ' ' A' ' 63' ' ' LYS . 0.2 OUTLIER -59.17 -50.21 74.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.095 . . . . 0.0 109.283 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 40.3 m -58.74 -35.12 72.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.408 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.46 -23.93 62.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 110.298 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.739 ' CG ' ' HB1' ' A' ' 20' ' ' ALA . 6.1 t90 -67.02 -27.47 67.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 0.0 107.991 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.616 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -84.79 -58.21 2.17 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -38.89 -44.98 2.04 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.749 HG23 ' CD1' ' A' ' 13' ' ' PHE . 4.7 p -67.38 -48.79 76.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.515 0.773 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.63 HD11 ' OE2' ' A' ' 59' ' ' GLU . 12.0 mt -49.69 -44.14 47.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 17.2 mt -64.27 -37.88 89.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.516 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 15.2 mm-40 -63.03 -51.62 66.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.349 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 1.019 ' CD2' HG23 ' A' ' 10' ' ' ILE . 13.9 mt -62.06 -34.08 75.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.425 ' N ' ' HE1' ' A' ' 56' ' ' MET . 0.3 OUTLIER -61.9 -21.57 64.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.037 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.684 ' HB2' ' CE1' ' A' ' 47' ' ' PHE . 36.3 mt-30 -67.97 -3.43 9.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 110.365 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.684 ' CE1' ' HB2' ' A' ' 46' ' ' GLN . 0.1 OUTLIER -157.05 60.89 0.51 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.14 . . . . 0.0 110.989 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -157.03 140.61 15.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.585 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.3 t -40.7 136.5 1.37 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.136 . . . . 0.0 110.005 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.939 ' CG1' HD22 ' A' ' 91' ' ' LEU . 1.0 OUTLIER -48.04 -41.83 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.0 t -52.21 -47.71 65.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 109.994 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.36 -26.61 38.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.582 ' HB3' ' HA ' ' A' ' 50' ' ' ILE . . . -61.85 -53.29 57.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.113 . . . . 0.0 109.247 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.477 ' CD ' HG23 ' A' ' 50' ' ' ILE . 23.9 mtpt -55.87 -53.28 58.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -54.81 -42.93 72.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 110.315 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.611 ' HG2' HD22 ' A' ' 41' ' ' LEU . 8.8 mtp -65.45 -36.58 84.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 111.026 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.764 HG21 ' HB2' ' A' ' 88' ' ' PHE . 18.3 mt -72.61 -51.42 28.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.461 ' O ' HG23 ' A' ' 62' ' ' THR . 4.1 mt-30 -45.49 -54.37 7.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.63 ' OE2' HD11 ' A' ' 41' ' ' LEU . 3.1 pt-20 -65.12 -35.34 80.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 110.328 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.413 ' N ' ' HG2' ' A' ' 59' ' ' GLU . . . -59.52 -28.87 67.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.404 HG22 ' N ' ' A' ' 62' ' ' THR . 0.4 OUTLIER -76.37 -56.19 8.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.461 HG23 ' O ' ' A' ' 58' ' ' GLN . 56.8 p -50.21 -35.33 26.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 110.394 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.847 ' O ' HD22 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -60.39 -51.97 67.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.234 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.616 ' CE1' ' HA3' ' A' ' 38' ' ' GLY . 21.5 m-85 -56.96 -41.24 77.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 111.039 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.79 -55.67 10.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 110.35 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.445 ' HA ' HD12 ' A' ' 69' ' ' LEU . 2.3 tp10 -56.46 -38.8 72.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.327 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.717 ' HA ' HD12 ' A' ' 70' ' ' ILE . . . -64.3 -43.75 93.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.71 HD21 HG23 ' A' ' 78' ' ' VAL . 13.8 mt -60.75 -29.19 69.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.445 HD12 ' HA ' ' A' ' 66' ' ' GLU . 0.7 OUTLIER -69.33 -34.97 75.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.811 HG21 ' O ' ' A' ' 29' ' ' LEU . 5.9 mt -71.44 -44.34 71.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -149.08 113.61 3.6 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -6.31 17.89 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.475 1.776 . . . . 0.0 111.005 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 75' ' ' ASP . 5.6 mmtp -87.24 -6.98 58.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.503 ' CE ' ' HA ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -65.89 74.77 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.9 OUTLIER -51.81 -34.7 41.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.438 ' HG3' ' CE3' ' A' ' 79' ' ' TRP . 24.2 tt0 -59.21 -52.44 65.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.56 -32.33 40.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.303 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.969 HG11 ' HB2' ' A' ' 111' ' ' GLN . 25.4 t -74.53 -52.97 18.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.438 ' CE3' ' HG3' ' A' ' 76' ' ' GLU . 0.4 OUTLIER -59.25 -48.77 80.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 108.017 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.576 ' HB3' ' CZ ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -50.37 -53.5 28.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 108.267 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.573 HG21 ' CZ ' ' A' ' 108' ' ' PHE . 55.1 mt -51.85 -30.87 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.47 ' HA3' ' CE1' ' A' ' 109' ' ' PHE . . . -80.06 -42.17 11.22 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -64.45 -31.73 73.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 0.769 . . . . 0.0 109.331 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.572 ' HB1' HG23 ' A' ' 57' ' ' ILE . . . -69.88 -55.71 9.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.512 ' CD2' ' O ' ' A' ' 81' ' ' ILE . 7.9 m-85 -54.17 -41.13 68.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.583 1.177 . . . . 0.0 110.967 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 17.5 m -54.7 -50.82 67.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.425 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.2 t -64.07 -51.82 62.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.003 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.764 ' HB2' HG21 ' A' ' 57' ' ' ILE . 45.7 t80 -51.1 -41.83 60.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 111.014 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.701 ' HB1' ' CD2' ' A' ' 102' ' ' PHE . . . -56.09 -52.62 63.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -55.0 -18.0 4.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.939 HD22 ' CG1' ' A' ' 50' ' ' ILE . 33.6 mt -93.89 -22.35 18.67 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.452 HG22 ' HB2' ' A' ' 98' ' ' ALA . 0.9 OUTLIER -96.9 116.55 66.11 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 110.426 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.443 ' O ' ' N ' ' A' ' 95' ' ' GLU . 18.3 Cg_endo -75.03 -24.52 12.68 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.557 1.819 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -58.98 86.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 93' ' ' PRO . 49.7 mt-10 -39.88 -47.25 2.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.09 . . . . 0.0 110.309 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.4 m -52.61 -51.29 60.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.39 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -72.54 -48.93 36.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.572 1.17 . . . . 0.0 110.331 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.452 ' HB2' HG22 ' A' ' 92' ' ' THR . . . -53.19 -53.81 45.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.41 -43.07 97.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.128 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -59.7 -43.46 94.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.156 . . . . 0.0 109.574 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -72.52 -47.6 47.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.259 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.898 ' CD1' ' HB1' ' A' ' 132' ' ' ALA . 1.6 m-85 -52.25 -50.27 62.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 111.021 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.81 -19.82 65.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.491 HD23 ' HG2' ' A' ' 107' ' ' GLN . 0.0 OUTLIER -68.57 -45.03 73.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.674 ' HB1' ' CZ ' ' A' ' 109' ' ' PHE . . . -59.72 -34.77 73.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 4.3 m -58.33 -56.57 20.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 110.349 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.491 ' HG2' HD23 ' A' ' 104' ' ' LEU . 0.8 OUTLIER -55.07 -24.2 24.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.275 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.738 ' HD1' HG13 ' A' ' 78' ' ' VAL . 4.5 m-85 -84.42 -49.46 8.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.674 ' CZ ' ' HB1' ' A' ' 105' ' ' ALA . 21.4 m-85 -54.6 -32.23 58.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.128 . . . . 0.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.439 ' HA ' ' NE2' ' A' ' 110' ' ' GLN . 4.0 tp60 -60.11 -28.99 68.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.969 ' HB2' HG11 ' A' ' 78' ' ' VAL . 37.7 mt-30 -81.42 -37.65 27.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -57.19 -52.86 63.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 117' ' ' PRO . 4.4 m -63.94 -34.53 68.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -44.37 -45.43 8.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.475 ' C ' ' HG2' ' A' ' 116' ' ' GLN . 29.5 mm-40 -75.03 -44.25 48.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 110.332 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.475 ' HG2' ' C ' ' A' ' 115' ' ' GLU . 1.3 mm-40 -138.72 83.83 19.04 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 110.34 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.457 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.2 Cg_endo -74.99 -11.76 21.5 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.464 1.77 . . . . 0.0 110.986 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -92.91 -12.42 30.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.411 ' HB3' ' ND1' ' A' ' 121' ' ' HIS . 15.6 m-20 -71.96 115.71 11.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.526 HG23 ' H ' ' A' ' 121' ' ' HIS . 1.5 t -54.93 -57.75 10.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 0.0 110.416 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.566 ' N ' ' ND1' ' A' ' 121' ' ' HIS . 0.0 OUTLIER -45.86 -35.99 4.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.112 . . . . 0.0 109.592 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.408 ' O ' ' OG ' ' A' ' 125' ' ' SER . 4.1 m-30 -81.24 -25.6 36.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 111.026 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.929 HD13 ' N ' ' A' ' 124' ' ' LYS . 0.0 OUTLIER -81.42 -45.99 15.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.929 ' N ' HD13 ' A' ' 123' ' ' LEU . 5.3 tptt -49.89 -39.14 38.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.423 ' O ' ' HB ' ' A' ' 129' ' ' THR . 0.0 OUTLIER -54.68 -41.91 70.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.997 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.492 HD22 ' HB3' ' A' ' 109' ' ' PHE . 3.0 mm? -66.67 -43.65 83.96 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.629 ' O ' ' HB3' ' A' ' 130' ' ' ALA . 3.1 tp10 -67.9 -42.65 80.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.255 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.38 -59.81 4.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 110.97 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.473 ' O ' ' HB2' ' A' ' 132' ' ' ALA . 0.5 OUTLIER -56.58 -22.23 32.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.395 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.629 ' HB3' ' O ' ' A' ' 127' ' ' GLU . . . -44.06 -53.88 5.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.412 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 3.3 mttt -96.71 41.99 1.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.898 ' HB1' ' CD1' ' A' ' 102' ' ' PHE . . . -58.49 -48.26 97.25 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' PRO . . . . . 0.652 ' HD3' ' HB3' ' A' ' 132' ' ' ALA . 18.2 Cg_endo -75.04 -24.55 12.66 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.455 1.766 . . . . 0.0 111.002 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' GLN . . . . . 0.444 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 18.4 tp60 -80.58 -47.42 14.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.311 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.643 ' O ' ' HB2' ' A' ' 139' ' ' ALA . 9.0 mt -55.98 -41.65 75.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 136' ' ' HIS . . . . . 0.589 ' HB2' ' CE2' ' A' ' 102' ' ' PHE . 59.4 t-80 -66.5 -42.56 87.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.604 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.537 ' O ' ' CB ' ' A' ' 141' ' ' LYS . . . -62.09 -52.92 61.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.502 ' O ' ' CG ' ' A' ' 142' ' ' GLN . 0.0 OUTLIER -69.43 -36.25 76.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.643 ' HB2' ' O ' ' A' ' 135' ' ' LEU . . . -56.93 -48.16 78.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 140' ' ' TYR . . . . . 0.569 ' CE1' ' CD2' ' A' ' 136' ' ' HIS . 5.1 m-85 -83.99 -43.06 15.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.981 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.537 ' CB ' ' O ' ' A' ' 137' ' ' ALA . 3.9 tmtt? -58.54 -48.03 82.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.161 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 142' ' ' GLN . . . . . 0.502 ' CG ' ' O ' ' A' ' 138' ' ' GLU . 0.9 OUTLIER -72.0 140.49 49.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 110.259 -179.93 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -61.95 -135.43 0.01 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.478 1.111 . . . . 0.0 111.003 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -165.53 147.13 7.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 0.757 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 143.32 -90.34 0.17 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.491 1.12 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -93.27 -88.02 1.59 Allowed Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 6.9 m 59.49 101.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 0.743 . . . . 0.0 110.02 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 6.7 t-160 -161.34 101.12 1.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.569 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 59.1 m80 -79.09 176.01 10.06 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.459 1.099 . . . . 0.0 109.591 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -172.19 123.72 0.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.641 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 59.2 161.02 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.633 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 13.9 p-80 -93.32 -54.79 3.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 0.0 109.549 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 10.6 t60 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.641 -179.954 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -173.55 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.57 1.826 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -160.81 129.67 4.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 0.0 109.281 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -1' ' ' GLY . . . . . 0.447 ' HA3' HG21 ' A' ' 3' ' ' THR . . . -107.16 165.52 13.21 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.488 1.117 . . . . 0.0 111.022 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 78.3 p -78.2 -30.78 49.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 0.78 . . . . 0.0 110.049 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.564 ' O ' HG23 ' A' ' 3' ' ' THR . 3.3 ptp -161.95 174.91 12.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 54.95 46.21 24.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.564 HG23 ' O ' ' A' ' 1' ' ' MET . 16.6 p -132.39 173.64 11.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.412 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 6' ' ' GLU . 0.6 OUTLIER 73.55 -163.66 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.326 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.416 ' HB ' ' O ' ' A' ' 4' ' ' GLU . 96.8 m 68.29 -59.59 0.44 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.373 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.569 ' HB2' ' CD1' ' A' ' 47' ' ' PHE . 1.6 pt-20 -156.71 -43.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 110.349 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -45.55 -55.17 6.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.158 . . . . 0.0 110.998 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -48.0 -43.28 29.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.433 ' NH1' ' HB2' ' A' ' 9' ' ' ARG . 10.5 ttm105 -73.14 -34.27 65.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 0.0 110.314 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.872 HG23 ' CD2' ' A' ' 44' ' ' LEU . 96.5 mt -63.56 -37.7 80.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.415 HD23 ' N ' ' A' ' 11' ' ' LEU . 5.9 mt -57.34 -33.35 67.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.794 HD12 HD12 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -70.22 -50.47 39.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.526 ' HD1' HG23 ' A' ' 40' ' ' VAL . 18.3 m-85 -63.88 -30.93 71.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 0.0 110.966 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -61.85 -60.27 3.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 110.299 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.456 ' HA ' ' NE2' ' A' ' 18' ' ' GLN . 10.3 pt20 -49.72 -35.3 21.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 110.315 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.794 HD12 HD12 ' A' ' 12' ' ' LEU . 20.7 mt -71.35 -47.8 57.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.561 1.163 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.1 ttt180 -52.05 -46.7 65.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 110.278 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.456 ' NE2' ' HA ' ' A' ' 15' ' ' GLN . 15.2 pt20 -67.46 -42.05 83.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.452 ' O ' ' CB ' ' A' ' 23' ' ' THR . 0.1 OUTLIER -65.64 -39.29 91.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.162 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.847 ' HB1' ' HB2' ' A' ' 37' ' ' TRP . . . -73.58 -54.77 7.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.259 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.556 ' HG3' ' CZ2' ' A' ' 37' ' ' TRP . 8.3 tt0 -54.86 -47.67 73.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.7 t30 -64.67 -47.69 77.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.618 HG21 ' CG ' ' A' ' 33' ' ' ASN . 2.5 m -54.02 -24.43 16.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 110.391 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.443 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 8.6 t80 -52.84 -60.13 3.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.963 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.78 -27.17 69.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.4 t -70.6 -36.21 73.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.165 . . . . 0.0 110.027 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -169.36 89.76 0.58 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -2.55 12.68 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.493 1.786 . . . . 0.0 110.986 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.828 ' O ' HG21 ' A' ' 70' ' ' ILE . 8.1 mt -91.42 -10.68 40.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -73.66 99.83 3.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.467 1.105 . . . . 0.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.745 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . . . -70.18 -21.9 63.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.364 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -72.22 -55.41 7.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.618 ' CG ' HG21 ' A' ' 23' ' ' THR . 24.0 t-20 -70.8 -32.08 69.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.25 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.995 ' HG ' ' HB2' ' A' ' 67' ' ' ALA . 0.5 OUTLIER -65.27 -55.07 20.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 109.267 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.1 m -59.8 -33.45 71.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.389 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.423 ' HD3' ' CG2' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -70.38 -44.57 67.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.315 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.847 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . 13.7 t90 -51.63 -27.67 12.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 108.006 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.426 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -83.88 -56.58 2.57 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.509 1.13 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -40.49 -45.58 3.43 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.526 HG23 ' HD1' ' A' ' 13' ' ' PHE . 0.9 OUTLIER -67.31 -46.52 83.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.471 0.748 . . . . 0.0 109.296 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.446 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 10.0 mt -49.31 -44.94 44.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.322 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 17.6 mt -62.83 -38.42 90.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.166 . . . . 0.0 109.291 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -65.72 -56.46 11.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.335 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.872 ' CD2' HG23 ' A' ' 10' ' ' ILE . 11.8 mt -61.71 -25.5 67.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.32 -36.09 75.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 110.005 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.486 ' CG ' ' N ' ' A' ' 47' ' ' PHE . 1.3 pt20 -67.93 -44.97 75.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.622 ' HB3' HD11 ' A' ' 10' ' ' ILE . 74.8 m-85 -78.02 -20.5 52.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.982 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.444 ' N ' ' O ' ' A' ' 44' ' ' LEU . 20.0 m-70 -92.92 137.87 31.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.168 . . . . 0.0 109.617 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.515 ' O ' ' N ' ' A' ' 53' ' ' ALA . 25.8 p -40.81 154.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.993 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.746 ' CG1' HD22 ' A' ' 91' ' ' LEU . 1.0 OUTLIER -53.01 -50.02 46.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.424 ' N ' HG22 ' A' ' 50' ' ' ILE . 5.7 t -46.31 -46.56 18.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.992 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.469 ' O ' ' CG ' ' A' ' 56' ' ' MET . 0.4 OUTLIER -82.14 -25.37 34.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 109.273 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.679 ' HB3' ' HA ' ' A' ' 50' ' ' ILE . . . -67.77 -56.4 9.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.524 ' CD ' HG23 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -58.22 -48.98 78.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.431 ' NE2' ' OD1' ' A' ' 52' ' ' ASP . 1.5 pt20 -61.47 -33.42 73.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.24 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.539 ' HE1' ' C ' ' A' ' 44' ' ' LEU . 36.1 mtp -70.59 -30.46 67.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 111.012 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.91 HG23 ' HB1' ' A' ' 84' ' ' ALA . 36.3 mt -72.79 -47.14 50.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.449 ' O ' HG22 ' A' ' 62' ' ' THR . 19.9 mt-30 -46.06 -54.38 8.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 110.312 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.498 ' HA ' ' CG2' ' A' ' 62' ' ' THR . 5.1 pt-20 -66.04 -38.33 88.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.317 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.16 -49.47 77.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.113 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.612 HG22 ' N ' ' A' ' 62' ' ' THR . 0.1 OUTLIER -53.24 -62.27 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.612 ' N ' HG22 ' A' ' 61' ' ' ILE . 1.8 t -51.84 -28.52 16.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.391 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.485 ' HE3' ' CH2' ' A' ' 37' ' ' TRP . 0.6 OUTLIER -65.92 -36.89 84.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.613 ' CZ ' ' SG ' ' A' ' 80' ' ' CYS . 21.5 m-85 -71.21 -39.51 71.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -48.27 -55.53 10.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 110.289 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.636 ' HB3' HD21 ' A' ' 34' ' ' LEU . 0.7 OUTLIER -60.88 -44.97 96.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.091 . . . . 0.0 110.266 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.995 ' HB2' ' HG ' ' A' ' 34' ' ' LEU . . . -57.87 -33.75 69.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.691 HD21 HG23 ' A' ' 78' ' ' VAL . 7.2 mt -70.02 -30.59 67.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' A' ' 66' ' ' GLU . 0.5 OUTLIER -68.34 -29.62 68.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.828 HG21 ' O ' ' A' ' 29' ' ' LEU . 4.3 mt -78.96 -41.14 23.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.088 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -147.05 103.54 3.83 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -16.24 20.3 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.528 1.804 . . . . 0.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt -82.67 -0.9 49.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.59 81.13 2.0 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.463 ' HB3' ' CG ' ' A' ' 115' ' ' GLU . 0.3 OUTLIER -54.07 -26.13 25.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.259 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.416 ' HG3' ' CE3' ' A' ' 79' ' ' TRP . 2.2 tp10 -65.53 -52.44 52.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.329 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.5 -32.83 42.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.338 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.99 HG11 ' HB2' ' A' ' 111' ' ' GLN . 37.0 t -74.65 -53.39 16.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 109.286 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.416 ' CE3' ' HG3' ' A' ' 76' ' ' GLU . 0.4 OUTLIER -57.83 -44.34 86.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 107.985 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.613 ' SG ' ' CZ ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -50.28 -53.33 29.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 108.318 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.786 HG21 ' CZ ' ' A' ' 108' ' ' PHE . 86.2 mt -51.93 -51.65 27.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.575 ' HA3' ' CE1' ' A' ' 109' ' ' PHE . . . -61.16 -42.3 99.74 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.485 1.116 . . . . 0.0 111.028 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -64.0 -36.22 83.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 0.774 . . . . 0.0 109.272 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.91 ' HB1' HG23 ' A' ' 57' ' ' ILE . . . -69.67 -54.63 12.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.11 . . . . 0.0 109.298 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.626 ' CE2' HD11 ' A' ' 104' ' ' LEU . 3.8 m-85 -56.05 -39.54 72.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 54.9 m -60.6 -49.31 78.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 110.418 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.2 m -66.62 -49.28 66.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.965 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.745 ' HB2' HG21 ' A' ' 57' ' ' ILE . 18.4 t80 -52.66 -32.92 44.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 111.041 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.427 ' HB1' ' CD2' ' A' ' 102' ' ' PHE . . . -63.39 -49.59 73.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -56.19 -21.19 21.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.746 HD22 ' CG1' ' A' ' 50' ' ' ILE . 12.6 mt -89.27 -23.71 22.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.422 HG22 ' HB2' ' A' ' 98' ' ' ALA . 0.8 OUTLIER -94.65 119.09 66.68 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.386 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.514 ' HA ' ' CE2' ' A' ' 140' ' ' TYR . 18.4 Cg_endo -74.99 -28.02 9.55 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.525 1.803 . . . . 0.0 111.037 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.95 93.11 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -43.86 -47.2 8.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.3 m -52.1 -49.93 62.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.351 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -72.72 -48.28 40.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.125 . . . . 0.0 110.331 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.422 ' HB2' HG22 ' A' ' 92' ' ' THR . . . -54.11 -53.55 51.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.353 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.4 -42.18 95.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.489 ' O ' ' CB ' ' A' ' 104' ' ' LEU . 0.1 OUTLIER -57.45 -46.1 84.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.626 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ASN . . . . . 0.414 ' O ' ' N ' ' A' ' 105' ' ' ALA . 50.5 m-20 -70.26 -46.76 63.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.767 ' CD1' ' HB1' ' A' ' 132' ' ' ALA . 1.1 m-85 -51.3 -54.26 27.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.39 -35.41 73.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.696 HD22 ' O ' ' A' ' 104' ' ' LEU . 1.5 tm? -66.12 -22.16 66.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.35 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 101' ' ' ASN . . . -82.3 -25.07 34.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.8 m -67.71 -50.64 56.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 110.366 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -46.59 -30.66 2.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.331 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.786 ' CZ ' HG21 ' A' ' 81' ' ' ILE . 11.2 m-85 -79.41 -48.3 14.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.112 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.617 ' CD2' HG21 ' A' ' 129' ' ' THR . 22.2 m-85 -54.37 -27.09 33.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.563 1.165 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.69 -28.73 68.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.281 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.99 ' HB2' HG11 ' A' ' 78' ' ' VAL . 35.2 mt-30 -82.43 -35.91 27.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.4 -49.76 76.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.794 HG12 ' HB3' ' A' ' 122' ' ' TYR . 7.1 m -66.37 -36.8 78.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -45.19 -48.29 12.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.463 ' CG ' ' HB3' ' A' ' 75' ' ' ASP . 20.2 mm-40 -70.04 -42.31 73.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.251 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.549 ' HG3' ' CD2' ' A' ' 122' ' ' TYR . 20.3 pt20 -151.77 88.44 4.23 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 110.313 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.476 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.3 Cg_endo -75.0 -2.07 12.06 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.498 1.788 . . . . 0.0 111.01 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -91.97 -12.34 33.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -67.23 118.67 10.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 44.4 p -54.97 -48.91 72.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 110.396 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 8.0 m80 -49.26 -50.43 38.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.615 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.794 ' HB3' HG12 ' A' ' 113' ' ' VAL . 9.6 m-30 -67.62 -30.62 70.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 110.961 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.918 HD13 ' N ' ' A' ' 124' ' ' LYS . 0.0 OUTLIER -71.49 -53.26 14.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.918 ' N ' HD13 ' A' ' 123' ' ' LEU . 3.1 tptt -59.01 -45.93 89.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.257 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.476 ' O ' ' HG3' ' A' ' 128' ' ' MET . 0.5 OUTLIER -55.39 -45.58 76.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.028 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.47 ' O ' ' OG1' ' A' ' 129' ' ' THR . 14.5 tp -74.27 -29.35 61.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.234 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 123' ' ' LEU . 3.1 tp10 -68.78 -57.47 5.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 110.324 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' MET . . . . . 0.494 ' SD ' ' N ' ' A' ' 129' ' ' THR . 3.6 ppp? -55.71 -37.61 68.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 111.049 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.617 HG21 ' CD2' ' A' ' 109' ' ' PHE . 0.2 OUTLIER -53.2 -34.31 56.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.405 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -43.64 -35.69 1.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 23.6 mtmt -114.42 44.92 1.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.767 ' HB1' ' CD1' ' A' ' 102' ' ' PHE . . . -63.28 -44.44 83.08 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' PRO . . . . . 0.639 ' CD ' ' N ' ' A' ' 132' ' ' ALA . 18.3 Cg_endo -75.01 -29.69 7.95 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.483 1.78 . . . . 0.0 111.002 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' GLN . . . . . 0.465 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 53.6 mm-40 -80.86 -47.24 14.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 110.3 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.694 ' O ' ' HB2' ' A' ' 139' ' ' ALA . 48.8 mt -51.13 -40.86 59.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 136' ' ' HIS . . . . . 0.578 ' HB2' ' CE2' ' A' ' 102' ' ' PHE . 60.2 t-80 -68.07 -44.51 76.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.593 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.541 ' O ' ' CB ' ' A' ' 141' ' ' LYS . . . -61.72 -52.58 63.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 109.308 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.501 ' O ' ' CB ' ' A' ' 142' ' ' GLN . 0.1 OUTLIER -68.56 -26.89 65.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 0.0 110.304 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.694 ' HB2' ' O ' ' A' ' 135' ' ' LEU . . . -66.44 -51.6 55.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.151 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 140' ' ' TYR . . . . . 0.514 ' CE2' ' HA ' ' A' ' 93' ' ' PRO . 5.8 m-85 -81.69 -42.37 20.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.951 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 141' ' ' LYS . . . . . 0.541 ' CB ' ' O ' ' A' ' 137' ' ' ALA . 0.3 OUTLIER -61.16 -48.07 83.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.157 . . . . 0.0 109.307 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 142' ' ' GLN . . . . . 0.501 ' CB ' ' O ' ' A' ' 138' ' ' GLU . 1.2 tm0? -85.67 131.34 34.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.305 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -40.82 140.93 1.03 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 2.8 tp 63.01 124.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 0.781 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 150.99 -60.5 0.41 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -136.25 -63.79 0.06 OUTLIER Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.04 165.63 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 0.779 . . . . 0.0 109.971 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 31.9 t-80 63.59 136.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.616 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -166.64 67.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 109.57 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.04 158.15 36.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.569 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -85.13 -63.87 1.25 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.571 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -173.57 134.66 0.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.577 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 12.3 p-80 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.625 179.965 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.6 ttm180 . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.31 -0.255 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.724 HG23 ' CD2' ' A' ' 44' ' ' LEU . 30.0 mt -66.6 -39.64 84.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.277 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.8 mt -61.38 -42.72 99.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.574 HD12 ' CD1' ' A' ' 16' ' ' ILE . 0.1 OUTLIER -53.99 -53.21 56.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.607 ' HB3' HG22 ' A' ' 40' ' ' VAL . 26.5 m-85 -63.91 -34.67 78.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 111.028 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -58.1 -59.9 4.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.273 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.463 ' HG3' ' N ' ' A' ' 16' ' ' ILE . 3.2 pt20 -50.56 -33.19 20.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 110.34 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.574 ' CD1' HD12 ' A' ' 12' ' ' LEU . 25.4 mt -71.34 -51.8 31.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.155 . . . . 0.0 109.313 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -51.23 -49.79 60.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.414 1.071 . . . . 0.0 110.274 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.435 ' O ' ' CB ' ' A' ' 22' ' ' ASN . 13.0 pt20 -64.24 -42.88 96.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 110.277 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.468 ' O ' ' CB ' ' A' ' 23' ' ' THR . 0.6 OUTLIER -64.53 -40.02 94.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.905 ' HB1' ' HB2' ' A' ' 37' ' ' TRP . . . -73.48 -57.51 3.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 109.345 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.565 ' HG3' ' CZ2' ' A' ' 37' ' ' TRP . 14.5 tt0 -52.88 -49.83 65.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.275 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.435 ' CB ' ' O ' ' A' ' 18' ' ' GLN . 16.1 t30 -62.73 -40.83 98.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.809 HG21 ' CG ' ' A' ' 33' ' ' ASN . 1.7 m -61.87 -24.79 67.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 110.361 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.571 ' HE1' HD21 ' A' ' 34' ' ' LEU . 7.9 t80 -51.95 -60.1 3.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.961 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.46 -28.4 69.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.64 -30.6 67.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.956 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.408 ' N ' ' O ' ' A' ' 23' ' ' THR . 1.9 t30 -169.46 90.39 0.56 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -1.91 11.84 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.507 1.793 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.898 ' O ' HG21 ' A' ' 70' ' ' ILE . 6.6 mt -89.01 -28.32 20.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -64.26 98.75 0.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.352 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.848 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . . . -71.98 -25.84 62.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 -63.41 -51.33 66.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.809 ' CG ' HG21 ' A' ' 23' ' ' THR . 1.0 OUTLIER -69.55 -32.82 71.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.283 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.885 HD22 ' O ' ' A' ' 63' ' ' LYS . 0.3 OUTLIER -66.93 -39.52 87.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 24.1 m -72.41 -50.46 26.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.399 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.61 ' HD2' ' HB2' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -60.62 -24.32 65.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.294 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.905 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . 14.4 t90 -67.63 -28.18 67.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 107.998 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.604 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -84.47 -55.03 2.81 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.488 1.118 . . . . 0.0 111.008 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -40.23 -44.75 3.03 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.607 HG22 ' HB3' ' A' ' 13' ' ' PHE . 1.3 p -67.46 -47.3 81.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 0.776 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.454 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 13.8 mt -48.36 -44.44 34.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.448 HD13 HD22 ' A' ' 83' ' ' ASN . 13.5 mt -65.48 -40.49 93.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -65.7 -57.23 8.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 110.327 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.724 ' CD2' HG23 ' A' ' 10' ' ' ILE . 5.9 mt -59.81 -29.07 67.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.3 m -61.93 -27.52 68.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.977 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -67.74 -44.34 77.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 110.263 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.618 ' HB3' HD11 ' A' ' 10' ' ' ILE . 52.2 m-85 -79.37 -32.56 43.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 40.5 m-70 -78.8 143.31 36.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.602 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 53' ' ' ALA . 0.4 OUTLIER -44.34 150.32 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 110.009 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.952 ' CG1' HD22 ' A' ' 91' ' ' LEU . 0.1 OUTLIER -51.33 -50.88 26.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.485 ' HA ' ' CE ' ' A' ' 54' ' ' LYS . 0.4 OUTLIER -44.82 -51.13 9.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.972 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.401 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 17.1 m-20 -76.01 -24.95 55.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.632 ' HB3' ' HA ' ' A' ' 50' ' ' ILE . . . -69.23 -42.4 75.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.275 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.517 ' CE ' HG23 ' A' ' 50' ' ' ILE . 5.1 mtmp? -62.71 -57.37 11.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.47 ' HG3' ' N ' ' A' ' 56' ' ' MET . 0.0 OUTLIER -56.06 -33.41 64.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.47 ' N ' ' HG3' ' A' ' 55' ' ' GLN . 16.1 mtp -70.62 -33.79 71.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.958 HG21 ' HB2' ' A' ' 88' ' ' PHE . 44.0 mt -72.75 -51.11 29.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -45.74 -54.14 8.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -65.92 -34.53 78.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 110.267 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.56 -29.4 67.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.328 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.494 HG12 ' CE1' ' A' ' 85' ' ' TYR . 0.4 OUTLIER -75.52 -59.36 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.919 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.47 ' N ' HG22 ' A' ' 61' ' ' ILE . 20.6 p -49.61 -31.13 10.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.466 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.885 ' O ' HD22 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -66.05 -46.06 79.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.341 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.604 ' CE1' ' HA3' ' A' ' 38' ' ' GLY . 23.1 m-85 -61.14 -39.34 89.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.989 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -48.74 -55.37 11.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.33 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.453 ' HA ' HD12 ' A' ' 69' ' ' LEU . 1.0 OUTLIER -58.86 -38.48 78.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.324 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.69 ' HB2' ' HB3' ' A' ' 34' ' ' LEU . . . -64.05 -40.98 97.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.78 HD21 HG23 ' A' ' 78' ' ' VAL . 9.4 mt -63.11 -28.84 70.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.453 HD12 ' HA ' ' A' ' 66' ' ' GLU . 0.6 OUTLIER -69.44 -38.73 77.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.898 HG21 ' O ' ' A' ' 29' ' ' LEU . 5.0 mt -72.79 -41.91 61.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.267 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -143.54 104.37 5.01 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -17.76 19.3 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.449 1.763 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.88 0.01 46.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.095 . . . . 0.0 109.342 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.91 77.51 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.281 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.11 -26.38 11.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.258 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.457 ' HG3' ' CE3' ' A' ' 79' ' ' TRP . 0.8 OUTLIER -70.08 -52.3 24.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.295 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.36 -32.64 39.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 109.323 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.911 HG11 ' HB2' ' A' ' 111' ' ' GLN . 20.5 t -74.56 -52.81 18.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.457 ' CE3' ' HG3' ' A' ' 76' ' ' GLU . 0.4 OUTLIER -59.19 -46.85 87.32 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.579 ' HB3' ' CZ ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -50.29 -53.1 31.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 108.315 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.526 HG21 ' CZ ' ' A' ' 108' ' ' PHE . 56.7 mt -51.93 -38.92 24.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.483 ' HA3' ' CE1' ' A' ' 109' ' ' PHE . . . -72.99 -42.87 43.0 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.47 1.106 . . . . 0.0 111.017 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.448 HD22 HD13 ' A' ' 42' ' ' LEU . 1.9 t30 -63.78 -29.51 70.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 0.761 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.594 ' HB1' HG23 ' A' ' 57' ' ' ILE . . . -69.63 -54.99 11.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.13 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.494 ' CE1' HG12 ' A' ' 61' ' ' ILE . 21.0 m-30 -56.23 -46.67 79.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 33.8 m -55.38 -46.24 76.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 110.45 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 34.0 t -67.17 -51.42 53.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.017 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.958 ' HB2' HG21 ' A' ' 57' ' ' ILE . 44.2 t80 -55.35 -34.36 64.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 111.007 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.596 ' HB1' ' CE2' ' A' ' 102' ' ' PHE . . . -59.78 -51.58 69.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.409 ' O ' ' CE1' ' A' ' 140' ' ' TYR . 40.7 m-85 -55.07 -23.97 22.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 111.04 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.952 HD22 ' CG1' ' A' ' 50' ' ' ILE . 21.2 mt -90.73 -19.61 23.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.406 ' O ' ' NE2' ' A' ' 136' ' ' HIS . 0.9 OUTLIER -95.84 119.22 65.22 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.402 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.528 ' HA ' ' CE2' ' A' ' 140' ' ' TYR . 18.2 Cg_endo -75.06 -27.18 10.14 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.508 1.794 . . . . 0.0 110.984 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 95' ' ' GLU . 0.1 OUTLIER -59.48 85.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 93' ' ' PRO . 56.5 mt-10 -38.14 -47.31 1.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.2 m -53.27 -57.69 9.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.436 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -63.4 -48.8 76.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 110.291 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.43 -53.4 54.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 55.4 mttt -60.31 -51.26 70.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.556 ' CD2' ' C ' ' A' ' 100' ' ' HIS . 0.2 OUTLIER -49.32 -38.47 27.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.598 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -72.65 -52.22 16.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.803 ' HB3' ' HB1' ' A' ' 132' ' ' ALA . 8.4 m-85 -51.11 -42.21 60.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.09 -20.63 60.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.431 HD22 ' HE2' ' A' ' 108' ' ' PHE . 0.3 OUTLIER -75.98 -53.2 8.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.351 179.933 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.761 ' HB1' ' CZ ' ' A' ' 109' ' ' PHE . . . -51.39 -27.13 9.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.408 ' HA ' ' CD2' ' A' ' 109' ' ' PHE . 1.0 OUTLIER -64.73 -54.98 23.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.427 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -52.15 -28.1 16.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.629 ' HD1' HG13 ' A' ' 78' ' ' VAL . 15.5 m-85 -81.87 -44.72 16.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.955 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.761 ' CZ ' ' HB1' ' A' ' 105' ' ' ALA . 23.4 m-30 -54.09 -38.03 64.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 111.02 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -57.95 -26.52 62.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.333 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.911 ' HB2' HG11 ' A' ' 78' ' ' VAL . 17.6 mt-30 -81.09 -44.09 18.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.281 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.15 -53.59 56.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.253 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.734 HG12 ' HB3' ' A' ' 122' ' ' TYR . 15.2 m -62.42 -35.47 69.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.25 -52.52 9.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.342 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -63.07 -44.06 96.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.418 ' O ' ' CG ' ' A' ' 116' ' ' GLN . 1.6 tt0 -156.03 91.46 2.67 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.472 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.2 Cg_endo -74.98 -4.53 15.55 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.484 1.781 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -86.26 0.56 53.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.268 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -75.48 117.54 17.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 81.4 p -57.05 -36.12 70.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.422 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . 0.428 ' CD2' ' H ' ' A' ' 121' ' ' HIS . 8.6 m-70 -64.03 -59.37 4.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.609 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.734 ' HB3' HG12 ' A' ' 113' ' ' VAL . 10.5 m-30 -54.32 -32.64 57.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.998 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.916 ' O ' HD22 ' A' ' 123' ' ' LEU . 0.0 OUTLIER -63.0 -49.72 73.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.713 ' N ' HD13 ' A' ' 123' ' ' LEU . 3.3 tptt -61.99 -43.07 99.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.47 -39.92 81.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.967 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.467 ' O ' HG23 ' A' ' 129' ' ' THR . 5.7 tp -73.23 -56.06 5.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -54.1 -31.42 51.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.241 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 19.7 mmm -58.56 -32.14 68.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.951 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.578 ' HA ' ' HB2' ' A' ' 132' ' ' ALA . 17.8 p -68.24 -30.33 69.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 110.386 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -42.11 -40.62 2.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.87 46.12 2.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.803 ' HB1' ' HB3' ' A' ' 102' ' ' PHE . . . -63.8 -50.07 72.78 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' PRO . . . . . 0.721 ' HD3' ' HB3' ' A' ' 132' ' ' ALA . 18.3 Cg_endo -75.0 -25.09 12.2 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.488 1.783 . . . . 0.0 111.019 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . 0.469 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 30.7 mm-40 -80.37 -49.95 10.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.684 ' O ' ' HB2' ' A' ' 139' ' ' ALA . 20.7 mt -49.92 -41.25 45.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' HIS . . . . . 0.55 ' CD2' ' CE1' ' A' ' 140' ' ' TYR . 51.9 t-80 -68.33 -44.45 75.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.66 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.525 ' O ' ' CB ' ' A' ' 141' ' ' LYS . . . -61.87 -52.3 64.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.469 ' CG ' ' O ' ' A' ' 134' ' ' GLN . 0.0 OUTLIER -68.52 -27.69 66.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.582 1.176 . . . . 0.0 110.274 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.684 ' HB2' ' O ' ' A' ' 135' ' ' LEU . . . -66.57 -50.39 63.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' TYR . . . . . 0.55 ' CE1' ' CD2' ' A' ' 136' ' ' HIS . 5.5 m-85 -81.52 -32.59 32.27 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.479 1.112 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . 0.525 ' CB ' ' O ' ' A' ' 137' ' ' ALA . 0.2 OUTLIER -67.14 -46.9 72.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.283 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.709 HG23 ' CD2' ' A' ' 44' ' ' LEU . 21.7 mt -65.73 -40.59 88.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.513 HD23 ' N ' ' A' ' 11' ' ' LEU . 4.7 mt -59.05 -43.16 91.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.877 HD12 HD12 ' A' ' 16' ' ' ILE . 0.2 OUTLIER -57.71 -49.88 75.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.646 ' HD1' HG23 ' A' ' 40' ' ' VAL . 14.5 m-85 -64.03 -27.02 68.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.967 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -67.55 -59.86 3.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.256 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.477 ' HG3' ' N ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -51.78 -28.07 14.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.088 . . . . 0.0 110.308 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.877 HD12 HD12 ' A' ' 12' ' ' LEU . 8.2 mt -71.8 -52.94 22.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.447 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 11.6 ttp180 -49.16 -59.33 3.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 110.339 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.424 ' HG3' ' O ' ' A' ' 15' ' ' GLN . 0.3 OUTLIER -53.5 -39.84 64.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.276 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.469 ' O ' ' CB ' ' A' ' 23' ' ' THR . 0.2 OUTLIER -64.98 -31.73 73.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.27 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.774 ' HB1' ' CG ' ' A' ' 37' ' ' TRP . . . -67.11 -46.0 75.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.65 ' HG2' ' CZ2' ' A' ' 37' ' ' TRP . 1.9 mt-10 -62.55 -41.06 98.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.285 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.413 ' ND2' ' C ' ' A' ' 22' ' ' ASN . 1.1 t30 -75.63 -40.47 56.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.266 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.532 HG21 ' CG ' ' A' ' 33' ' ' ASN . 2.7 m -59.92 -23.08 63.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.391 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.446 ' O ' ' CD ' ' A' ' 28' ' ' PRO . 0.1 OUTLIER -55.68 -60.59 3.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 111.036 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.59 -29.15 70.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.6 t -70.74 -39.69 73.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.987 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.407 ' N ' ' O ' ' A' ' 23' ' ' THR . 0.7 OUTLIER -169.24 86.12 0.62 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.446 ' CD ' ' O ' ' A' ' 24' ' ' TYR . 18.2 Cg_endo -75.07 0.61 8.73 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.489 1.784 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.812 ' O ' HG21 ' A' ' 70' ' ' ILE . 15.5 mt -97.21 -10.83 25.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.255 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.491 ' O ' ' CB ' ' A' ' 34' ' ' LEU . 0.8 OUTLIER -68.48 99.55 0.98 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.671 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . . . -70.25 -33.95 72.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -64.03 -55.87 19.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.532 ' CG ' HG21 ' A' ' 23' ' ' THR . 0.3 OUTLIER -67.68 -35.21 78.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 109.319 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.913 HD21 ' HB3' ' A' ' 66' ' ' GLU . 0.3 OUTLIER -64.65 -54.78 26.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.5 m -57.73 -45.67 85.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.392 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.62 -27.06 57.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.347 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.774 ' CG ' ' HB1' ' A' ' 20' ' ' ALA . 5.6 t90 -59.96 -26.65 66.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 108.017 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.585 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -85.16 -61.26 1.75 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.579 1.175 . . . . 0.0 110.982 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -37.53 -44.23 1.22 Allowed Glycine 0 CA--C 1.529 0.953 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.646 HG23 ' HD1' ' A' ' 13' ' ' PHE . 4.8 p -67.5 -50.92 57.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.467 0.745 . . . . 0.0 109.263 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.55 HD13 ' CG ' ' A' ' 59' ' ' GLU . 38.4 mt -49.13 -43.47 41.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.571 HD13 ' OD1' ' A' ' 83' ' ' ASN . 25.8 mt -63.93 -36.94 85.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -65.68 -59.2 4.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.272 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.709 ' CD2' HG23 ' A' ' 10' ' ' ILE . 16.4 mt -62.08 -25.74 67.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.77 -42.71 68.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.031 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -58.22 -36.47 73.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.71 ' CE2' ' CD2' ' A' ' 48' ' ' HIS . 0.0 OUTLIER -80.47 -33.1 36.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.994 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.71 ' CD2' ' CE2' ' A' ' 47' ' ' PHE . 9.1 m-70 -80.42 137.05 36.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.621 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.9 m -47.43 154.33 0.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.028 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.942 ' CG1' HD22 ' A' ' 91' ' ' LEU . 0.2 OUTLIER -51.78 -47.54 39.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 28.3 t -44.82 -56.32 4.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.997 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.0 -39.14 66.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.562 ' HB3' ' HA ' ' A' ' 50' ' ' ILE . . . -46.65 -54.26 9.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.113 . . . . 0.0 109.245 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.06 -58.17 6.08 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -54.09 -42.93 69.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 86.2 mtp -63.26 -32.28 73.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.966 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.943 HG21 ' HB2' ' A' ' 88' ' ' PHE . 18.9 mt -72.76 -49.28 41.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 109.323 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.523 ' O ' HG23 ' A' ' 62' ' ' THR . 5.3 mt-30 -48.21 -53.9 15.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.36 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.55 ' CG ' HD13 ' A' ' 41' ' ' LEU . 3.4 pt-20 -63.12 -35.56 80.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 110.265 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.4 ' O ' ' CD2' ' A' ' 64' ' ' PHE . . . -59.65 -28.88 67.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.25 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.566 HG12 ' CE1' ' A' ' 85' ' ' TYR . 0.7 OUTLIER -78.05 -55.37 10.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.523 HG23 ' O ' ' A' ' 58' ' ' GLN . 50.6 p -50.56 -27.82 7.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.405 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.441 ' HG3' ' CD1' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -71.9 -47.92 49.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.585 ' CE1' ' HA3' ' A' ' 38' ' ' GLY . 22.8 m-85 -58.55 -43.54 89.34 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 111.023 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -48.96 -55.22 12.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 110.316 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.913 ' HB3' HD21 ' A' ' 34' ' ' LEU . 2.9 tp10 -60.39 -45.68 92.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.314 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.863 ' HB2' ' HG ' ' A' ' 34' ' ' LEU . . . -55.52 -44.79 76.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.588 HD21 HG23 ' A' ' 78' ' ' VAL . 6.5 mt -64.1 -33.21 75.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.75 -27.41 69.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.812 HG21 ' O ' ' A' ' 29' ' ' LEU . 4.4 mt -80.05 -39.8 19.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -155.4 114.58 2.28 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -5.0 16.22 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.539 1.81 . . . . 0.0 110.992 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 75' ' ' ASP . 0.9 OUTLIER -82.51 -6.94 59.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.2 tptp -66.93 73.27 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 109.356 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' A' ' 75' ' ' ASP . 0.7 OUTLIER -52.16 -34.11 43.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.427 ' HG3' ' CE3' ' A' ' 79' ' ' TRP . 40.0 tt0 -64.11 -49.24 72.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.306 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.52 -32.31 39.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.963 HG11 ' HB2' ' A' ' 111' ' ' GLN . 28.5 t -74.49 -52.63 19.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.427 ' CE3' ' HG3' ' A' ' 76' ' ' GLU . 0.5 OUTLIER -59.11 -48.24 82.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 108.01 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.578 ' HB3' ' CZ ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -50.74 -51.92 45.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 108.316 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.572 HG21 ' CZ ' ' A' ' 108' ' ' PHE . 41.5 mt -51.97 -45.17 40.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.353 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -66.62 -41.21 94.11 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.571 ' OD1' HD13 ' A' ' 42' ' ' LEU . 16.6 t-20 -64.4 -37.46 87.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 0.738 . . . . 0.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.56 ' HB1' HG23 ' A' ' 57' ' ' ILE . . . -62.6 -55.18 29.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.566 ' CE1' HG12 ' A' ' 61' ' ' ILE . 21.3 m-30 -57.18 -42.34 80.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.168 . . . . 0.0 110.994 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.681 HG23 ' CE1' ' A' ' 102' ' ' PHE . 41.7 m -59.26 -51.93 67.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 110.445 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.0 m -61.63 -50.6 71.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.967 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.943 ' HB2' HG21 ' A' ' 57' ' ' ILE . 41.0 t80 -55.31 -30.98 61.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 111.029 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 86' ' ' THR . . . -64.08 -48.91 74.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.44 ' O ' ' CE1' ' A' ' 140' ' ' TYR . 35.0 m-85 -54.74 -25.99 31.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.942 HD22 ' CG1' ' A' ' 50' ' ' ILE . 7.7 mt -89.25 -18.75 26.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.236 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.2 m -93.92 118.64 67.31 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.37 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.558 ' HA ' ' CE2' ' A' ' 140' ' ' TYR . 18.2 Cg_endo -75.01 -27.46 9.97 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.513 1.796 . . . . 0.0 111.009 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 95' ' ' GLU . 13.8 m-20 -59.36 85.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 93' ' ' PRO . 43.1 mt-10 -38.81 -47.68 1.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.337 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.505 HG23 ' N ' ' A' ' 97' ' ' GLU . 14.0 t -52.86 -53.48 48.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 110.391 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.505 ' N ' HG23 ' A' ' 96' ' ' THR . 1.8 mt-10 -66.96 -49.6 64.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.253 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -53.95 -53.16 56.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.44 -49.82 76.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.555 ' CD2' ' C ' ' A' ' 100' ' ' HIS . 0.2 OUTLIER -51.2 -43.54 61.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.617 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -64.09 -54.02 40.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.897 ' HB3' ' HB1' ' A' ' 132' ' ' ALA . 5.4 m-85 -51.65 -41.85 61.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.1 . . . . 0.0 110.981 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -73.01 -19.61 61.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.485 HD23 ' HG2' ' A' ' 107' ' ' GLN . 0.0 OUTLIER -78.69 -47.51 16.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.939 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.692 ' HB1' ' CZ ' ' A' ' 109' ' ' PHE . . . -59.09 -23.96 62.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.454 ' HA ' ' CD2' ' A' ' 109' ' ' PHE . 2.2 m -61.67 -55.19 33.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.388 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.485 ' HG2' HD23 ' A' ' 104' ' ' LEU . 0.8 OUTLIER -55.35 -23.9 26.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 110.305 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.758 ' HD1' HG13 ' A' ' 78' ' ' VAL . 8.3 m-85 -83.01 -44.93 14.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.164 . . . . 0.0 110.964 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.692 ' CZ ' ' HB1' ' A' ' 105' ' ' ALA . 21.0 m-30 -54.08 -30.09 47.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 110.996 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.93 -35.27 76.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.142 . . . . 0.0 110.327 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.963 ' HB2' HG11 ' A' ' 78' ' ' VAL . 33.9 mt-30 -77.0 -37.51 54.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 110.325 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.493 ' O ' ' CD2' ' A' ' 122' ' ' TYR . . . -62.61 -53.16 58.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.873 HG12 ' HB3' ' A' ' 122' ' ' TYR . 5.0 m -69.79 -36.16 68.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.402 ' OD1' ' OE2' ' A' ' 115' ' ' GLU . 0.0 OUTLIER -44.62 -44.41 8.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.407 ' O ' ' OE1' ' A' ' 116' ' ' GLN . 60.7 mm-40 -75.1 -43.64 51.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 110.312 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.407 ' OE1' ' O ' ' A' ' 115' ' ' GLU . 13.6 mm100 -142.51 83.84 11.6 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.296 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.478 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.5 Cg_endo -74.96 -2.72 12.91 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.514 1.797 . . . . 0.0 111.046 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -97.42 -12.06 23.16 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -65.49 127.63 32.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 53.1 p -57.11 -54.26 48.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 110.381 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . 0.453 ' CD2' ' H ' ' A' ' 121' ' ' HIS . 10.1 m-70 -50.57 -58.61 5.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.623 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.873 ' HB3' HG12 ' A' ' 113' ' ' VAL . 9.6 m-30 -55.68 -25.58 40.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 111.087 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.872 ' O ' HD22 ' A' ' 123' ' ' LEU . 0.0 OUTLIER -75.43 -51.72 12.41 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.76 ' N ' HD13 ' A' ' 123' ' ' LEU . 0.0 OUTLIER -60.89 -45.05 96.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.87 -36.18 72.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.036 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 45.9 tp -73.21 -44.96 58.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -67.52 -33.8 75.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 110.323 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . 0.413 ' N ' ' O ' ' A' ' 124' ' ' LYS . 0.0 OUTLIER -50.3 -30.42 11.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.606 ' HA ' ' HB2' ' A' ' 132' ' ' ALA . 29.9 p -67.91 -29.6 68.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.408 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -48.51 -37.08 16.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 10.4 mttm -124.32 42.63 3.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.897 ' HB1' ' HB3' ' A' ' 102' ' ' PHE . . . -63.16 -54.35 46.29 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' PRO . . . . . 0.855 ' HD3' ' HB3' ' A' ' 132' ' ' ALA . 18.4 Cg_endo -74.96 -22.72 14.59 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.515 1.797 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . 0.47 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 5.4 tp-100 -80.26 -51.74 8.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.331 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.698 ' O ' ' HB2' ' A' ' 139' ' ' ALA . 45.1 mt -48.93 -41.44 33.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' HIS . . . . . 0.482 ' CD2' ' CE1' ' A' ' 140' ' ' TYR . 43.9 t-80 -68.72 -44.48 73.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.592 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.524 ' O ' ' CB ' ' A' ' 141' ' ' LYS . . . -61.9 -52.09 65.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.47 ' CG ' ' O ' ' A' ' 134' ' ' GLN . 0.0 OUTLIER -68.69 -27.38 65.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.318 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.698 ' HB2' ' O ' ' A' ' 135' ' ' LEU . . . -65.9 -50.07 65.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' TYR . . . . . 0.558 ' CE2' ' HA ' ' A' ' 93' ' ' PRO . 5.6 m-85 -82.77 -32.29 27.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.957 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . 0.524 ' CB ' ' O ' ' A' ' 137' ' ' ALA . 0.0 OUTLIER -68.16 -48.1 66.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.284 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.487 ' HG2' ' CE2' ' A' ' 13' ' ' PHE . 13.7 ttm105 . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.675 HG23 ' CD2' ' A' ' 44' ' ' LEU . 40.5 mt -59.83 -42.46 89.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.406 ' N ' HD23 ' A' ' 11' ' ' LEU . 7.4 mt -53.62 -33.03 53.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.879 HD12 HD12 ' A' ' 16' ' ' ILE . 0.2 OUTLIER -72.84 -47.65 44.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.614 ' HD1' HG23 ' A' ' 40' ' ' VAL . 11.1 m-85 -63.88 -38.16 90.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.961 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.514 ' HG2' HD21 ' A' ' 44' ' ' LEU . 4.3 mm-40 -56.94 -60.14 4.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.458 ' CG ' ' O ' ' A' ' 12' ' ' LEU . 9.3 pt20 -50.44 -32.7 18.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 110.321 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.879 HD12 HD12 ' A' ' 12' ' ' LEU . 19.5 mt -71.37 -53.43 21.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.517 ' O ' ' CB ' ' A' ' 21' ' ' GLU . 9.6 ttp180 -56.32 -37.94 70.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.34 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.407 ' HB2' HH21 ' A' ' 17' ' ' ARG . 12.7 tp60 -67.62 -48.81 65.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 110.292 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.502 ' O ' ' CB ' ' A' ' 23' ' ' THR . 0.5 OUTLIER -67.44 -43.3 81.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.798 ' HB1' ' HB2' ' A' ' 37' ' ' TRP . . . -66.85 -51.48 55.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.556 ' HG3' ' CZ2' ' A' ' 37' ' ' TRP . 17.9 tt0 -61.05 -41.52 96.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.313 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -75.5 -26.01 57.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.502 ' CB ' ' O ' ' A' ' 19' ' ' ASP . 1.1 m -66.19 -24.59 66.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.377 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -52.72 -60.46 3.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.948 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.17 -27.9 69.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.06 -38.24 72.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.005 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 23' ' ' THR . 0.7 OUTLIER -169.38 91.8 0.56 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 109.336 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 0.6 8.69 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.512 1.796 . . . . 0.0 110.982 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.87 ' O ' HG21 ' A' ' 70' ' ' ILE . 7.8 mt -88.53 -30.28 19.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.16 99.13 0.25 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.343 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.821 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . . . -72.81 -37.71 67.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -50.88 -54.77 21.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.427 ' CG ' HG21 ' A' ' 23' ' ' THR . 0.8 OUTLIER -66.18 -37.11 84.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.705 ' HB3' ' HB2' ' A' ' 67' ' ' ALA . 0.5 OUTLIER -57.76 -56.21 24.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.458 ' OG1' ' HB2' ' A' ' 77' ' ' ALA . 1.7 m -58.83 -36.91 75.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.374 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.47 -27.24 64.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.798 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . 13.0 t90 -67.54 -26.95 66.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 107.96 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.576 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -83.53 -58.06 2.35 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.547 1.154 . . . . 0.0 110.975 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 38' ' ' GLY . . . -37.69 -45.73 1.51 Allowed Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.614 HG23 ' HD1' ' A' ' 13' ' ' PHE . 0.8 OUTLIER -67.32 -46.83 82.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 0.748 . . . . 0.0 109.297 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.548 HD11 ' OE2' ' A' ' 59' ' ' GLU . 12.5 mt -48.74 -44.3 38.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 14.0 mt -65.5 -38.2 89.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.4 ' HA ' ' OE1' ' A' ' 43' ' ' GLU . 5.1 mm-40 -65.86 -58.51 5.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.262 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.675 ' CD2' HG23 ' A' ' 10' ' ' ILE . 3.3 mt -61.86 -26.43 68.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.6 m -58.46 -36.16 73.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.0 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.46 ' HG2' ' N ' ' A' ' 47' ' ' PHE . 4.7 pt20 -67.95 -37.0 81.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.33 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.46 ' N ' ' HG2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -80.65 -19.33 45.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.978 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -78.78 -92.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.582 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.1 t 172.04 148.83 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.967 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.947 ' CG1' HD22 ' A' ' 91' ' ' LEU . 0.1 OUTLIER -45.57 -50.37 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.526 ' HA ' ' CE ' ' A' ' 54' ' ' LYS . 41.1 t -43.45 -56.33 3.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.992 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -77.47 -43.57 31.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.636 ' HB3' ' HA ' ' A' ' 50' ' ' ILE . . . -45.43 -51.32 11.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.526 ' CE ' ' HA ' ' A' ' 51' ' ' SER . 6.0 mtmp? -48.75 -46.08 40.62 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 109.236 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -73.79 -50.62 19.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 110.284 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 98.2 mtp -53.63 -29.73 39.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 111.02 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.865 HG21 ' HB2' ' A' ' 88' ' ' PHE . 20.3 mt -72.73 -50.75 31.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.548 ' O ' HG23 ' A' ' 62' ' ' THR . 6.3 mt-30 -45.45 -54.82 6.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.149 . . . . 0.0 110.272 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.548 ' OE2' HD11 ' A' ' 41' ' ' LEU . 3.9 pt-20 -64.79 -36.53 84.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 110.276 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.426 ' O ' ' CD2' ' A' ' 64' ' ' PHE . . . -59.53 -28.74 67.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.417 HG22 ' N ' ' A' ' 62' ' ' THR . 0.6 OUTLIER -81.13 -56.26 6.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.288 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.548 HG23 ' O ' ' A' ' 58' ' ' GLN . 70.3 p -49.78 -25.94 3.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.414 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.671 ' O ' HD22 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -73.78 -48.77 29.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.576 ' CE1' ' HA3' ' A' ' 38' ' ' GLY . 22.4 m-85 -56.52 -44.22 80.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -50.78 -55.42 16.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.311 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.451 ' HA ' HD12 ' A' ' 69' ' ' LEU . 1.5 tp10 -56.43 -36.77 69.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.577 1.173 . . . . 0.0 110.301 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.726 ' HA ' HD12 ' A' ' 70' ' ' ILE . . . -64.81 -46.51 81.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.813 HD21 HG23 ' A' ' 78' ' ' VAL . 16.3 mt -57.48 -32.86 67.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.451 HD12 ' HA ' ' A' ' 66' ' ' GLU . 0.7 OUTLIER -64.69 -33.73 76.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.137 . . . . 0.0 109.341 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.87 HG21 ' O ' ' A' ' 29' ' ' LEU . 6.3 mt -74.78 -44.08 46.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -151.8 112.29 2.93 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.128 . . . . 0.0 109.297 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -7.43 19.11 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.485 1.782 . . . . 0.0 110.984 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 75' ' ' ASP . 1.3 mttt -82.81 -7.21 59.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.407 ' HB3' ' HB3' ' A' ' 77' ' ' ALA . 2.3 tptt -65.72 74.9 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.4 OUTLIER -51.9 -28.48 16.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.254 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.509 ' HG3' ' CE3' ' A' ' 79' ' ' TRP . 25.4 tt0 -68.7 -51.24 43.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.449 1.093 . . . . 0.0 110.301 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.458 ' HB2' ' OG1' ' A' ' 35' ' ' THR . . . -52.26 -32.28 36.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.333 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.965 HG11 ' HB2' ' A' ' 111' ' ' GLN . 19.1 t -74.68 -52.71 18.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.509 ' CE3' ' HG3' ' A' ' 76' ' ' GLU . 0.4 OUTLIER -59.26 -46.08 89.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 108.022 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.561 ' HB3' ' CZ ' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -50.06 -52.63 32.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 108.306 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.697 HG21 ' CZ ' ' A' ' 108' ' ' PHE . 66.8 mt -51.99 -37.21 21.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.486 ' HA3' ' CE1' ' A' ' 109' ' ' PHE . . . -72.57 -43.02 45.82 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.524 1.14 . . . . 0.0 110.992 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -64.43 -34.45 78.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 0.775 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.496 ' HB1' HG23 ' A' ' 57' ' ' ILE . . . -69.83 -54.56 13.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.508 ' CE2' HD13 ' A' ' 104' ' ' LEU . 4.5 m-85 -57.89 -46.55 84.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.977 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.476 HG23 ' CE1' ' A' ' 102' ' ' PHE . 53.1 m -55.83 -46.84 78.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 110.368 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 39.2 m -66.7 -51.62 53.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 110.018 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.865 ' HB2' HG21 ' A' ' 57' ' ' ILE . 30.6 t80 -53.74 -34.01 57.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.58 -50.39 73.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -56.09 -25.25 44.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.947 HD22 ' CG1' ' A' ' 50' ' ' ILE . 0.6 OUTLIER -92.16 16.99 10.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.323 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.477 HG22 ' HB2' ' A' ' 98' ' ' ALA . 0.9 OUTLIER -133.88 118.17 14.22 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.398 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.502 ' HA ' ' CE2' ' A' ' 140' ' ' TYR . 18.3 Cg_endo -75.02 -24.96 12.28 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.479 1.778 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.87 85.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 93' ' ' PRO . 92.4 mt-10 -39.16 -47.61 1.62 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.291 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.487 HG23 ' N ' ' A' ' 97' ' ' GLU . 15.2 t -52.81 -52.83 55.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 110.402 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.487 ' N ' HG23 ' A' ' 96' ' ' THR . 3.4 mt-10 -68.49 -49.03 62.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.289 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.477 ' HB2' HG22 ' A' ' 92' ' ' THR . . . -53.75 -52.98 58.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.248 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.1 tttm -60.26 -51.88 67.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.549 ' CD2' ' C ' ' A' ' 100' ' ' HIS . 0.2 OUTLIER -49.52 -43.65 45.72 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.098 . . . . 0.0 109.652 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.48 ' ND2' ' CD1' ' A' ' 85' ' ' TYR . 0.9 OUTLIER -62.95 -56.63 15.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.848 ' HB3' ' HB1' ' A' ' 132' ' ' ALA . 8.6 m-85 -50.98 -41.46 59.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 111.01 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -72.53 -20.5 61.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.508 HD13 ' CE2' ' A' ' 85' ' ' TYR . 0.0 OUTLIER -77.13 -48.32 18.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.682 ' HB1' ' CZ ' ' A' ' 109' ' ' PHE . . . -59.97 -24.33 64.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.7 m -63.22 -54.79 31.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.137 . . . . 0.0 110.447 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.427 ' HG2' HD23 ' A' ' 104' ' ' LEU . 0.7 OUTLIER -56.87 -23.01 41.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.246 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.697 ' CZ ' HG21 ' A' ' 81' ' ' ILE . 13.7 m-85 -82.24 -47.93 11.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.682 ' CZ ' ' HB1' ' A' ' 105' ' ' ALA . 21.2 m-85 -53.83 -37.04 63.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 0.0 110.991 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.04 -29.6 60.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.29 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.965 ' HB2' HG11 ' A' ' 78' ' ' VAL . 38.2 mt-30 -80.79 -43.19 20.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 110.307 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.69 -44.34 97.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.769 HG12 ' HB3' ' A' ' 122' ' ' TYR . 5.7 m -71.63 -37.64 64.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.81 -49.09 15.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.341 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -64.71 -40.94 96.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 110.246 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -160.06 90.69 1.78 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 110.304 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.465 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.0 Cg_endo -75.07 -3.53 14.05 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.512 1.796 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -88.44 -2.55 58.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -74.1 116.82 15.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 66.5 p -58.2 -23.79 56.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 110.383 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . 0.446 ' CD2' ' H ' ' A' ' 121' ' ' HIS . 4.4 m-70 -71.61 -59.13 2.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.589 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.769 ' HB3' HG12 ' A' ' 113' ' ' VAL . 7.2 m-30 -60.88 -35.17 75.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 111.017 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.92 ' O ' HD22 ' A' ' 123' ' ' LEU . 0.0 OUTLIER -55.48 -46.03 76.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.784 ' N ' HD13 ' A' ' 123' ' ' LEU . 1.7 tptm -63.36 -41.08 98.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . 0.528 ' O ' HG23 ' A' ' 129' ' ' THR . 0.6 OUTLIER -58.63 -40.34 83.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.962 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 16.6 tp -72.59 -42.89 64.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.258 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.81 -32.91 74.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.32 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 31.1 mmm -58.72 -32.8 69.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.683 ' HA ' ' HB2' ' A' ' 132' ' ' ALA . 15.8 p -68.62 -33.71 74.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.385 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -42.06 -39.86 2.08 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -125.29 44.87 2.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.848 ' HB1' ' HB3' ' A' ' 102' ' ' PHE . . . -64.24 -51.14 63.77 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' PRO . . . . . 0.753 ' HD3' ' HB3' ' A' ' 132' ' ' ALA . 18.4 Cg_endo -75.01 -25.06 12.2 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.457 1.767 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . 0.44 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 64.2 mm-40 -80.27 -50.78 9.73 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 110.292 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.708 ' O ' ' HB2' ' A' ' 139' ' ' ALA . 40.5 mt -48.98 -39.16 25.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' HIS . . . . . 0.638 ' CD2' ' CE1' ' A' ' 140' ' ' TYR . 48.3 t-80 -70.24 -44.74 67.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.569 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.522 ' O ' ' CB ' ' A' ' 141' ' ' LYS . . . -61.77 -51.77 66.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.466 ' CG ' ' HA ' ' A' ' 135' ' ' LEU . 0.1 OUTLIER -68.44 -27.58 66.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.292 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.708 ' HB2' ' O ' ' A' ' 135' ' ' LEU . . . -66.61 -50.3 63.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' TYR . . . . . 0.638 ' CE1' ' CD2' ' A' ' 136' ' ' HIS . 5.2 m-85 -81.5 -35.5 30.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 110.962 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . 0.522 ' CB ' ' O ' ' A' ' 137' ' ' ALA . 0.1 OUTLIER -62.29 -47.63 83.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.288 -179.978 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.457 ' CG ' ' CE2' ' A' ' 13' ' ' PHE . 9.9 ttm180 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.628 HG23 ' CD2' ' A' ' 44' ' ' LEU . 72.4 mt -59.09 -44.71 92.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 0.0 109.339 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.51 HD23 ' N ' ' A' ' 11' ' ' LEU . 5.2 mt -55.24 -40.33 70.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.579 ' CD1' HD11 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -61.85 -49.15 77.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.51 ' HD1' HG23 ' A' ' 40' ' ' VAL . 11.3 m-85 -63.79 -26.81 68.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -66.24 -53.26 39.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 110.292 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.523 ' HG3' ' N ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -57.75 -29.81 65.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.266 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.579 HD11 ' CD1' ' A' ' 12' ' ' LEU . 55.9 mt -71.63 -50.76 37.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.0 ttm180 -50.67 -47.17 58.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.268 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.436 ' HG3' ' N ' ' A' ' 19' ' ' ASP . 19.0 pt20 -67.25 -43.86 80.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.329 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.46 ' O ' ' CB ' ' A' ' 23' ' ' THR . 0.2 OUTLIER -64.62 -40.39 95.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.952 ' HB1' ' HB2' ' A' ' 37' ' ' TRP . . . -73.52 -51.46 16.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.578 ' HG3' ' CZ2' ' A' ' 37' ' ' TRP . 16.1 tt0 -58.94 -45.59 90.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 110.347 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 21.0 t30 -66.0 -52.15 51.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.266 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.46 ' CB ' ' O ' ' A' ' 19' ' ' ASP . 16.3 m -53.58 -23.84 12.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.4 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.429 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 6.0 t80 -52.46 -56.93 11.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.69 -32.36 70.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.352 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.48 -21.28 62.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.029 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 23' ' ' THR . 1.8 m120 -169.66 82.58 0.63 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -1.75 11.63 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.52 1.8 . . . . 0.0 111.036 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.721 ' O ' HG21 ' A' ' 70' ' ' ILE . 9.3 mt -100.47 8.43 43.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -90.49 98.74 11.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.692 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . . . -69.7 -24.3 63.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.243 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -72.97 -49.71 27.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.425 ' OD1' ' HA ' ' A' ' 20' ' ' ALA . 7.8 t-20 -64.35 -38.02 89.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.796 ' HB3' ' HB2' ' A' ' 67' ' ' ALA . 0.7 OUTLIER -64.01 -48.69 75.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.411 HG21 ' HB3' ' A' ' 76' ' ' GLU . 62.4 m -60.35 -39.37 86.91 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.51 1.131 . . . . 0.0 110.415 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.3 ttm180 -70.48 -47.2 61.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.301 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.952 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . 14.3 t90 -50.08 -27.12 5.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 107.993 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.579 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -84.9 -58.2 2.16 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.515 1.135 . . . . 0.0 110.994 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -40.22 -43.95 2.82 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.51 HG23 ' HD1' ' A' ' 13' ' ' PHE . 1.0 OUTLIER -67.37 -48.1 78.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.498 0.763 . . . . 0.0 109.341 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.488 HD22 ' SD ' ' A' ' 56' ' ' MET . 14.0 mt -48.22 -42.84 31.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.6 mt -65.53 -37.94 88.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -65.69 -58.89 4.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.276 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.628 ' CD2' HG23 ' A' ' 10' ' ' ILE . 7.6 mt -61.99 -25.37 67.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.89 -37.59 85.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.981 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.464 ' HG2' ' N ' ' A' ' 47' ' ' PHE . 0.6 OUTLIER -62.18 -37.06 83.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 110.32 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.723 ' CZ ' ' CE1' ' A' ' 48' ' ' HIS . 0.0 OUTLIER -80.73 -31.11 36.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.723 ' CE1' ' CZ ' ' A' ' 47' ' ' PHE . 14.0 m-70 -79.57 148.81 31.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.579 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 53' ' ' ALA . 49.1 m -51.37 158.71 0.8 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 110.04 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.903 ' CG1' HD22 ' A' ' 91' ' ' LEU . 0.2 OUTLIER -53.54 -48.67 58.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.277 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.8 -56.39 10.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 110.004 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.497 ' O ' ' CG ' ' A' ' 56' ' ' MET . 21.6 m-20 -69.1 -24.87 64.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.499 ' HB3' ' HA ' ' A' ' 50' ' ' ILE . . . -67.25 -48.7 66.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.484 ' CD ' HG23 ' A' ' 50' ' ' ILE . 0.3 OUTLIER -59.32 -58.71 7.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.264 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.42 ' HG2' ' O ' ' A' ' 52' ' ' ASP . 1.9 pt20 -53.9 -39.74 66.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 110.327 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.497 ' CG ' ' O ' ' A' ' 52' ' ' ASP . 8.0 mmm -70.49 -33.17 70.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 111.0 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.859 HG21 ' HB2' ' A' ' 88' ' ' PHE . 19.3 mt -72.97 -46.85 50.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.422 ' O ' HG23 ' A' ' 62' ' ' THR . 1.9 mt-30 -49.31 -54.95 14.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 110.322 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.541 ' HG3' ' HZ1' ' A' ' 63' ' ' LYS . 4.3 pt-20 -62.38 -34.73 77.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.274 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.453 ' N ' ' HG2' ' A' ' 59' ' ' GLU . . . -59.73 -30.01 68.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.346 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -79.56 -54.31 11.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.244 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.422 HG23 ' O ' ' A' ' 58' ' ' GLN . 72.2 p -49.93 -30.75 10.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 110.379 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.735 ' O ' HD22 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -69.46 -49.17 57.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.579 ' CE1' ' HA3' ' A' ' 38' ' ' GLY . 22.4 m-85 -56.17 -42.44 77.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -49.36 -55.3 13.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.108 . . . . 0.0 110.297 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.526 ' HA ' HD12 ' A' ' 69' ' ' LEU . 2.7 tp10 -60.2 -34.02 73.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 110.3 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.796 ' HB2' ' HB3' ' A' ' 34' ' ' LEU . . . -64.81 -44.77 88.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.556 HD21 HG23 ' A' ' 78' ' ' VAL . 12.7 mt -59.72 -28.77 67.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.526 HD12 ' HA ' ' A' ' 66' ' ' GLU . 0.8 OUTLIER -70.07 -33.98 72.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.721 HG21 ' O ' ' A' ' 29' ' ' LEU . 6.0 mt -74.5 -45.38 45.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -145.95 111.32 4.45 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -13.69 21.45 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.482 1.78 . . . . 0.0 110.994 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.5 ptmt -82.77 1.25 39.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.0 tptp -73.44 70.86 1.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.405 ' CG ' ' CB ' ' A' ' 115' ' ' GLU . 0.5 OUTLIER -51.59 -31.91 26.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 109.276 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.468 ' HG3' ' CE3' ' A' ' 79' ' ' TRP . 3.7 tp10 -62.97 -47.69 82.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.269 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.4 -33.02 58.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.967 HG11 ' HB2' ' A' ' 111' ' ' GLN . 41.5 t -74.63 -53.23 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.468 ' CE3' ' HG3' ' A' ' 76' ' ' GLU . 0.8 OUTLIER -58.54 -50.96 71.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 108.02 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.542 ' HG ' ' HZ ' ' A' ' 64' ' ' PHE . 0.5 OUTLIER -50.62 -50.47 54.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 108.318 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.842 HG21 ' CZ ' ' A' ' 108' ' ' PHE . 29.7 mt -51.93 -38.57 23.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -71.6 -38.52 61.49 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -64.63 -35.12 79.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 0.734 . . . . 0.0 109.305 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.57 ' HB1' HG23 ' A' ' 57' ' ' ILE . . . -68.61 -55.45 11.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.35 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.429 ' HB2' ' HB2' ' A' ' 105' ' ' ALA . 8.6 m-85 -55.89 -40.2 72.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 111.023 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 49.5 m -61.44 -52.25 65.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 110.4 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 32.7 t -60.75 -52.0 66.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.969 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.859 ' HB2' HG21 ' A' ' 57' ' ' ILE . 53.9 t80 -52.5 -34.19 48.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 111.008 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.492 ' HB2' ' HB3' ' A' ' 101' ' ' ASN . . . -63.97 -50.24 69.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.401 ' O ' ' OH ' ' A' ' 140' ' ' TYR . 30.7 m-85 -56.39 -17.62 8.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.903 HD22 ' CG1' ' A' ' 50' ' ' ILE . 34.1 mt -95.83 -19.07 19.89 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.496 1.122 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.435 HG22 ' HB2' ' A' ' 98' ' ' ALA . 0.9 OUTLIER -97.22 116.14 65.9 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.351 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.44 ' O ' ' N ' ' A' ' 95' ' ' GLU . 18.3 Cg_endo -74.97 -24.83 12.49 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.516 1.798 . . . . 0.0 110.977 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -59.06 86.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.275 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 93' ' ' PRO . 43.0 mt-10 -40.95 -47.53 3.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.312 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.429 ' CG2' ' N ' ' A' ' 97' ' ' GLU . 1.8 t -53.09 -46.53 68.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.374 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.429 ' N ' ' CG2' ' A' ' 96' ' ' THR . 5.5 mm-40 -75.87 -50.07 16.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.435 ' HB2' HG22 ' A' ' 92' ' ' THR . . . -54.27 -54.03 45.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.25 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.6 ttpt -53.22 -47.05 69.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -58.98 -45.66 90.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.597 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.492 ' HB3' ' HB2' ' A' ' 89' ' ' ALA . 0.4 OUTLIER -61.03 -53.98 50.51 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.895 ' CD1' ' HB1' ' A' ' 132' ' ' ALA . 8.8 m-85 -50.71 -42.54 57.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.099 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.79 -20.95 59.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 104' ' ' LEU . 0.0 OUTLIER -73.52 -51.55 16.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.252 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.429 ' HB2' ' HB2' ' A' ' 85' ' ' TYR . . . -59.65 -24.82 64.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.337 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.6 m -64.97 -54.74 25.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.415 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.414 ' CG ' ' O ' ' A' ' 104' ' ' LEU . 1.2 pt20 -53.79 -23.43 12.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.842 ' CZ ' HG21 ' A' ' 81' ' ' ILE . 4.9 m-85 -82.48 -47.95 11.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 111.037 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.779 ' CD2' HG21 ' A' ' 129' ' ' THR . 13.1 m-85 -54.11 -25.58 22.73 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.403 ' NE2' ' HA ' ' A' ' 110' ' ' GLN . 1.0 OUTLIER -67.21 -30.66 70.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 110.268 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.967 ' HB2' HG11 ' A' ' 78' ' ' VAL . 33.3 mt-30 -81.26 -35.11 31.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.328 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.2 -50.35 72.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.895 HG12 ' HB3' ' A' ' 122' ' ' TYR . 3.9 m -70.51 -39.86 76.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -45.15 -48.93 12.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.405 ' CB ' ' CG ' ' A' ' 75' ' ' ASP . 3.9 mm-40 -63.65 -44.29 94.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.442 ' O ' ' CG ' ' A' ' 116' ' ' GLN . 2.1 tt0 -156.16 89.24 2.81 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.293 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.463 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.3 Cg_endo -74.96 -3.63 14.21 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.54 1.81 . . . . 0.0 111.016 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -86.75 2.13 49.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 109.336 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -81.94 117.76 22.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 44.7 p -58.16 -29.75 65.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 110.414 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . 0.441 ' CD2' ' H ' ' A' ' 121' ' ' HIS . 5.2 m-70 -66.91 -59.72 3.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.572 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.895 ' HB3' HG12 ' A' ' 113' ' ' VAL . 13.9 m-30 -55.86 -33.85 64.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 111.012 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.955 ' O ' HD22 ' A' ' 123' ' ' LEU . 0.0 OUTLIER -60.34 -48.05 83.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.69 ' N ' HD13 ' A' ' 123' ' ' LEU . 1.8 tptp -59.37 -39.26 82.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.341 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . 0.567 ' O ' HG23 ' A' ' 129' ' ' THR . 0.6 OUTLIER -55.49 -44.13 76.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.012 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.417 ' O ' ' OG1' ' A' ' 129' ' ' THR . 1.9 tp -70.89 -34.02 71.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -67.96 -44.77 75.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.32 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.06 -42.68 93.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 111.004 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.779 HG21 ' CD2' ' A' ' 109' ' ' PHE . 2.6 p -55.85 -28.66 57.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.401 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -44.79 -52.01 8.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.642 ' O ' HD12 ' A' ' 135' ' ' LEU . 12.7 mttt -107.04 45.32 0.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.895 ' HB1' ' CD1' ' A' ' 102' ' ' PHE . . . -63.79 -49.92 73.59 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' PRO . . . . . 0.714 ' HD3' ' HB3' ' A' ' 132' ' ' ALA . 18.2 Cg_endo -75.03 -26.52 10.79 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.48 1.779 . . . . 0.0 110.991 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 61.6 mm-40 -79.69 -49.76 11.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.238 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.642 HD12 ' O ' ' A' ' 131' ' ' LYS . 6.7 mt -48.3 -42.16 30.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' HIS . . . . . 0.616 ' CD2' ' CE1' ' A' ' 140' ' ' TYR . 18.9 t-80 -67.57 -43.5 80.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.66 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.407 ' O ' ' HB3' ' A' ' 141' ' ' LYS . . . -61.86 -52.44 64.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.458 ' CG ' ' HA ' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -68.66 -32.72 72.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.313 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.636 ' HB2' ' O ' ' A' ' 135' ' ' LEU . . . -63.61 -39.39 94.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.34 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' TYR . . . . . 0.616 ' CE1' ' CD2' ' A' ' 136' ' ' HIS . 4.2 m-85 -88.25 -37.18 16.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 111.031 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . 0.407 ' HB3' ' O ' ' A' ' 137' ' ' ALA . 2.9 tttp -65.77 -48.34 72.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 109.261 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.325 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.44 ' CG ' ' CE2' ' A' ' 13' ' ' PHE . 7.2 ttm180 . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.738 HD13 ' CG ' ' A' ' 47' ' ' PHE . 5.5 mt -62.42 -47.0 95.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.357 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.505 HD23 ' N ' ' A' ' 11' ' ' LEU . 4.2 mt -54.16 -31.54 52.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.591 ' CD1' HD11 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -74.45 -43.1 57.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.762 ' O ' HG21 ' A' ' 40' ' ' VAL . 5.4 m-85 -63.88 -33.85 76.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 110.978 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.578 ' HG2' HD21 ' A' ' 44' ' ' LEU . 14.1 mm-40 -62.11 -52.84 62.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.314 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.46 ' HG3' ' N ' ' A' ' 16' ' ' ILE . 1.0 OUTLIER -57.57 -29.26 64.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.297 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.591 HD11 ' CD1' ' A' ' 12' ' ' LEU . 37.5 mt -71.32 -53.03 22.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.5 ' O ' ' CB ' ' A' ' 21' ' ' GLU . 0.1 OUTLIER -55.89 -38.8 70.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -67.23 -47.44 70.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.89 -43.24 75.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.803 ' HB1' ' HB2' ' A' ' 37' ' ' TRP . . . -66.95 -57.5 6.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.566 ' HG3' ' CZ2' ' A' ' 37' ' ' TRP . 14.3 tt0 -50.96 -37.47 44.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.291 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.405 ' HA ' ' HD3' ' A' ' 25' ' ' LYS . 37.4 t30 -75.47 -43.82 47.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.436 1.085 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.555 HG22 ' OD2' ' A' ' 30' ' ' ASP . 20.8 m -53.64 -23.0 9.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.38 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -52.7 -61.58 2.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.972 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.405 ' HD3' ' HA ' ' A' ' 22' ' ' ASN . 0.0 OUTLIER -60.43 -29.71 69.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.62 -24.32 62.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.046 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.492 ' C ' ' H ' ' A' ' 29' ' ' LEU . 7.0 t-20 -169.6 84.56 0.61 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 23.28 0.4 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.508 1.794 . . . . 0.0 111.007 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.751 ' O ' HG21 ' A' ' 70' ' ' ILE . 8.7 mt -132.35 8.19 4.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.555 ' OD2' HG22 ' A' ' 23' ' ' THR . 17.6 p30 -90.74 99.44 12.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.344 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.784 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . . . -69.15 -30.71 69.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.338 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -61.44 -49.65 75.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.445 ' O ' ' N ' ' A' ' 37' ' ' TRP . 26.5 t30 -68.28 -47.08 68.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.143 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.678 HD22 ' O ' ' A' ' 63' ' ' LYS . 0.5 OUTLIER -51.07 -51.31 54.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 54.4 m -59.32 -41.29 88.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.359 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.53 -33.17 70.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.304 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.803 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . 13.9 t90 -67.46 -27.25 66.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 108.014 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.483 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -84.17 -55.7 2.71 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.485 1.116 . . . . 0.0 111.004 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -38.87 -46.14 2.23 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.762 HG21 ' O ' ' A' ' 13' ' ' PHE . 3.5 p -67.4 -47.5 80.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.484 0.755 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.442 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 12.6 mt -48.37 -43.9 34.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.11 . . . . 0.0 109.282 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.491 HD13 HD22 ' A' ' 83' ' ' ASN . 17.1 mt -64.25 -38.32 90.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.524 ' HG3' ' CZ ' ' A' ' 13' ' ' PHE . 38.0 mm-40 -65.78 -60.67 2.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.578 HD21 ' HG2' ' A' ' 14' ' ' GLU . 6.7 mt -62.2 -24.83 67.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.86 -44.15 70.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.978 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.476 ' CG ' ' N ' ' A' ' 47' ' ' PHE . 3.1 pt20 -67.69 -45.15 75.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.738 ' CG ' HD13 ' A' ' 10' ' ' ILE . 26.0 t80 -63.62 -22.47 66.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.994 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 46.2 m-70 -97.46 144.53 27.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.617 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -42.5 155.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.018 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.864 ' CG1' HD22 ' A' ' 91' ' ' LEU . 0.1 OUTLIER -54.67 -48.67 71.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 109.298 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.6 t -44.67 -56.46 4.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.995 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.8 -37.42 70.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.544 ' HB3' ' HA ' ' A' ' 50' ' ' ILE . . . -47.91 -54.48 12.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.438 ' CD ' HG23 ' A' ' 50' ' ' ILE . 18.7 mtpt -57.73 -50.78 72.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 52.7 mm-40 -55.17 -41.62 72.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.137 . . . . 0.0 110.332 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.434 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 60.3 mtp -70.44 -31.98 69.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.959 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.927 HG21 ' HB2' ' A' ' 88' ' ' PHE . 11.6 mt -73.03 -52.64 21.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -46.69 -54.66 9.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.31 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.531 ' HA ' ' CG2' ' A' ' 62' ' ' THR . 8.6 pt-20 -60.63 -37.66 82.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.458 ' N ' ' HG3' ' A' ' 59' ' ' GLU . . . -60.54 -39.92 89.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.557 HG22 ' N ' ' A' ' 62' ' ' THR . 0.3 OUTLIER -62.7 -63.04 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.557 ' N ' HG22 ' A' ' 61' ' ' ILE . 1.4 t -48.97 -25.77 2.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 110.393 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.678 ' O ' HD22 ' A' ' 34' ' ' LEU . 11.2 mttm -70.62 -51.63 26.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.551 ' CZ ' ' HB3' ' A' ' 80' ' ' CYS . 22.6 m-85 -56.32 -33.6 65.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 111.01 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -57.73 -55.46 34.61 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.128 . . . . 0.0 110.304 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.434 ' HA ' HD12 ' A' ' 69' ' ' LEU . 1.7 tt0 -56.21 -38.55 71.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 110.277 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.821 ' HA ' HD12 ' A' ' 70' ' ' ILE . . . -61.92 -43.87 97.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.735 HD21 HG23 ' A' ' 78' ' ' VAL . 28.0 mt -60.39 -31.29 70.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.434 HD12 ' HA ' ' A' ' 66' ' ' GLU . 0.8 OUTLIER -68.87 -31.46 70.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 109.287 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.821 HD12 ' HA ' ' A' ' 67' ' ' ALA . 5.9 mt -76.07 -41.62 38.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -154.73 114.28 2.4 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.135 . . . . 0.0 109.264 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -5.79 17.24 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.504 1.792 . . . . 0.0 111.021 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 75' ' ' ASP . 7.3 mmtm -82.73 -7.02 59.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.82 69.63 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.3 OUTLIER -51.97 -33.34 37.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.502 ' HG3' ' CE3' ' A' ' 79' ' ' TRP . 41.5 tt0 -65.19 -46.1 82.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.254 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.31 -32.44 56.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.326 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.978 HG11 ' HB2' ' A' ' 111' ' ' GLN . 29.0 t -74.53 -53.71 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.502 ' CE3' ' HG3' ' A' ' 76' ' ' GLU . 0.6 OUTLIER -58.17 -44.29 87.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 108.029 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.551 ' HB3' ' CZ ' ' A' ' 64' ' ' PHE . 0.7 OUTLIER -50.42 -51.76 43.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 108.284 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.803 HG21 ' CZ ' ' A' ' 108' ' ' PHE . 74.3 mt -52.04 -48.51 41.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -61.88 -43.21 99.51 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.455 1.097 . . . . 0.0 110.947 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.491 HD22 HD13 ' A' ' 42' ' ' LEU . 5.6 t30 -63.27 -40.61 97.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 0.771 . . . . 0.0 109.357 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.643 ' HB1' HG23 ' A' ' 57' ' ' ILE . . . -66.52 -52.55 44.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 109.33 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.76 ' CE2' HD11 ' A' ' 104' ' ' LEU . 3.1 m-85 -56.82 -43.4 81.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.402 ' O ' ' HB3' ' A' ' 89' ' ' ALA . 18.1 m -58.01 -54.04 51.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.376 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 38.8 m -59.07 -51.19 71.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.972 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.927 ' HB2' HG21 ' A' ' 57' ' ' ILE . 27.3 t80 -54.39 -33.28 58.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.564 1.165 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.714 ' HB2' ' HB3' ' A' ' 101' ' ' ASN . . . -64.01 -45.88 86.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.419 ' CE2' ' CZ ' ' A' ' 102' ' ' PHE . 37.0 m-85 -61.83 -17.66 57.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 110.992 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.864 HD22 ' CG1' ' A' ' 50' ' ' ILE . 36.9 mt -93.96 -18.77 21.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.476 HG22 ' HB2' ' A' ' 98' ' ' ALA . 0.8 OUTLIER -95.07 120.66 63.95 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 110.417 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.627 ' HA ' ' CE2' ' A' ' 140' ' ' TYR . 18.6 Cg_endo -74.92 -27.61 10.02 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.534 1.807 . . . . 0.0 111.071 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.93 93.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -43.06 -47.51 5.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.6 m -52.61 -56.58 14.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.117 . . . . 0.0 110.425 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -65.83 -48.8 70.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 110.267 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.652 ' CB ' ' CE1' ' A' ' 136' ' ' HIS . . . -53.25 -52.95 57.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.91 -55.98 27.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.171 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.537 ' CD2' ' C ' ' A' ' 100' ' ' HIS . 0.2 OUTLIER -49.03 -40.7 32.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.563 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.714 ' HB3' ' HB2' ' A' ' 89' ' ' ALA . 0.3 OUTLIER -64.17 -53.89 42.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 109.292 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.913 ' HB3' ' HB1' ' A' ' 132' ' ' ALA . 11.3 m-85 -56.5 -44.47 80.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 110.972 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -74.77 -24.84 58.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.875 HD22 ' O ' ' A' ' 104' ' ' LEU . 0.4 OUTLIER -76.93 -38.28 53.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.82 -23.13 66.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.332 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.5 m -65.09 -53.53 44.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.38 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.438 ' CG ' ' O ' ' A' ' 104' ' ' LEU . 1.0 OUTLIER -49.67 -25.71 3.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.278 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.803 ' CZ ' HG21 ' A' ' 81' ' ' ILE . 4.9 m-85 -82.65 -48.11 11.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 110.981 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.655 ' HD2' HG21 ' A' ' 129' ' ' THR . 14.7 m-85 -54.73 -33.08 60.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 111.031 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -60.68 -29.03 69.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 0.0 110.306 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.978 ' HB2' HG11 ' A' ' 78' ' ' VAL . 28.0 mt-30 -80.49 -40.57 25.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.283 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -52.93 -51.92 59.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.258 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.819 HG12 ' HB3' ' A' ' 122' ' ' TYR . 6.2 m -68.53 -36.19 73.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -46.3 -51.01 15.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.268 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -65.25 -39.93 93.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 110.317 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.454 ' O ' ' CG ' ' A' ' 116' ' ' GLN . 1.5 tt0 -160.28 92.14 1.67 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.334 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.457 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.4 Cg_endo -74.95 -4.25 15.12 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.509 1.794 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -87.72 5.5 39.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -83.8 120.31 25.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 70.3 p -55.96 -50.95 69.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.419 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . 0.446 ' CD2' ' H ' ' A' ' 121' ' ' HIS . 12.4 m-70 -49.95 -58.0 6.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.649 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.819 ' HB3' HG12 ' A' ' 113' ' ' VAL . 10.1 m-30 -53.8 -37.2 63.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 1.001 ' O ' HD22 ' A' ' 123' ' ' LEU . 0.0 OUTLIER -60.35 -44.82 95.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.658 ' N ' HD13 ' A' ' 123' ' ' LEU . 0.1 OUTLIER -63.76 -39.36 94.09 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.491 1.119 . . . . 0.0 109.25 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . 0.924 ' O ' HG23 ' A' ' 129' ' ' THR . 1.1 m -55.66 -46.67 77.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.989 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 3.0 tp -69.19 -34.61 75.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.347 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.469 ' O ' ' HB3' ' A' ' 130' ' ' ALA . 4.4 tp10 -68.08 -41.94 81.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 110.33 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 12.3 mmm -62.62 -48.91 77.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.924 HG23 ' O ' ' A' ' 125' ' ' SER . 81.5 p -53.64 -24.91 15.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 110.414 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 127' ' ' GLU . . . -43.85 -40.74 4.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.442 ' O ' ' CG ' ' A' ' 135' ' ' LEU . 0.8 OUTLIER -122.4 47.84 1.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.312 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.913 ' HB1' ' HB3' ' A' ' 102' ' ' PHE . . . -64.78 -48.41 72.91 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' PRO . . . . . 0.651 ' HD3' ' HB3' ' A' ' 132' ' ' ALA . 18.1 Cg_endo -75.04 -28.04 9.45 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.5 1.79 . . . . 0.0 110.969 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . 0.439 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 2.9 mt-30 -80.26 -45.74 17.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.255 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.741 ' O ' ' HB2' ' A' ' 139' ' ' ALA . 24.5 mt -54.37 -38.65 66.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' HIS . . . . . 0.652 ' CE1' ' CB ' ' A' ' 98' ' ' ALA . 35.9 t-80 -67.9 -44.36 77.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.138 . . . . 0.0 109.563 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.523 ' O ' ' CB ' ' A' ' 141' ' ' LYS . . . -61.85 -53.05 61.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.477 ' CG ' ' HA ' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -68.72 -27.33 65.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.287 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.741 ' HB2' ' O ' ' A' ' 135' ' ' LEU . . . -60.56 -49.83 75.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' TYR . . . . . 0.627 ' CE2' ' HA ' ' A' ' 93' ' ' PRO . 6.3 m-85 -88.37 -42.78 11.97 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.118 . . . . 0.0 110.976 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . 0.523 ' CB ' ' O ' ' A' ' 137' ' ' ALA . 11.4 ttpt -55.66 -47.95 75.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 179.995 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.513 ' CG ' ' CE2' ' A' ' 13' ' ' PHE . 9.2 ttm180 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.516 HD11 ' HB2' ' A' ' 47' ' ' PHE . 52.2 mt -57.55 -48.29 83.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.434 HD23 ' N ' ' A' ' 11' ' ' LEU . 6.9 mt -55.21 -41.54 72.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.345 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.725 ' CD1' HD11 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -57.99 -50.61 72.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.686 ' HA ' HD12 ' A' ' 16' ' ' ILE . 12.5 m-85 -63.94 -37.94 89.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -53.0 -53.0 56.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.457 ' CG ' ' O ' ' A' ' 12' ' ' LEU . 1.1 pt20 -62.38 -28.13 69.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 110.29 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.725 HD11 ' CD1' ' A' ' 12' ' ' LEU . 70.6 mt -71.37 -49.47 47.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.57 1.169 . . . . 0.0 109.272 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.5 ttp180 -60.92 -34.04 74.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.343 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -69.04 -54.44 15.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.289 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 23' ' ' THR . 0.1 OUTLIER -69.23 -29.65 67.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 16' ' ' ILE . . . -73.63 -45.81 50.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.586 ' HG3' ' CZ2' ' A' ' 37' ' ' TRP . 16.3 tt0 -66.64 -44.7 81.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.476 ' OD1' ' O ' ' A' ' 19' ' ' ASP . 0.2 OUTLIER -67.83 -36.72 80.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.504 HG22 ' OD1' ' A' ' 33' ' ' ASN . 1.4 m -60.84 -24.7 66.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.393 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.408 ' CD1' ' HZ3' ' A' ' 37' ' ' TRP . 6.8 t80 -51.37 -60.3 3.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.19 -26.97 68.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.1 -26.24 60.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.992 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -169.38 85.29 0.62 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 -11.23 21.31 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.521 1.801 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.873 ' O ' HG21 ' A' ' 70' ' ' ILE . 11.5 mt -88.87 -22.06 23.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -64.75 99.53 0.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.271 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.793 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . . . -70.07 -27.41 64.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -64.56 -52.16 59.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.573 1.17 . . . . 0.0 109.259 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.504 ' OD1' HG22 ' A' ' 23' ' ' THR . 0.5 OUTLIER -65.3 -40.2 93.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 1.011 HD22 ' O ' ' A' ' 63' ' ' LYS . 0.3 OUTLIER -59.4 -52.48 65.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.468 ' CG2' ' HG2' ' A' ' 76' ' ' GLU . 82.0 m -59.62 -37.88 79.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.396 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.34 -32.32 69.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 110.33 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.672 ' CZ2' ' NZ ' ' A' ' 63' ' ' LYS . 12.3 t90 -65.91 -27.48 68.23 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.452 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -84.68 -54.12 3.02 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.509 1.131 . . . . 0.0 111.034 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -40.46 -44.66 3.2 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.582 HG22 ' HB3' ' A' ' 13' ' ' PHE . 0.6 OUTLIER -67.4 -47.89 79.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 0.777 . . . . 0.0 109.264 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.474 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 14.1 mt -48.32 -43.82 33.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 15.9 mt -65.44 -36.74 84.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.355 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.47 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 19.4 mm-40 -65.11 -59.23 4.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.463 HD21 ' HB2' ' A' ' 13' ' ' PHE . 75.7 mt -61.97 -25.63 67.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.47 -36.89 74.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.008 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.467 ' HG2' ' N ' ' A' ' 47' ' ' PHE . 3.0 pt20 -66.46 -34.34 77.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 110.263 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.578 ' CZ ' ' CE1' ' A' ' 48' ' ' HIS . 0.0 OUTLIER -80.48 -36.32 33.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 111.082 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.578 ' CE1' ' CZ ' ' A' ' 47' ' ' PHE . 1.0 OUTLIER -78.81 135.95 37.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.584 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 46.0 m -41.0 148.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.001 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.981 ' CG1' HD22 ' A' ' 91' ' ' LEU . 1.0 OUTLIER -48.99 -43.96 15.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.304 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.9 t -46.65 -56.42 6.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.993 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.69 -36.39 62.74 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.626 ' HB3' ' HA ' ' A' ' 50' ' ' ILE . . . -49.1 -54.46 16.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.438 ' HD3' HG23 ' A' ' 50' ' ' ILE . 23.4 mtpt -51.73 -53.01 44.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -55.14 -46.11 75.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.286 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 93.3 mtp -62.02 -32.33 72.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 111.006 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.732 HG21 ' HB2' ' A' ' 88' ' ' PHE . 34.9 mt -72.76 -52.28 23.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -45.75 -51.1 13.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.248 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.452 ' HG2' ' N ' ' A' ' 60' ' ' ALA . 3.1 pt-20 -66.44 -37.58 85.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 110.296 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.452 ' N ' ' HG2' ' A' ' 59' ' ' GLU . . . -59.39 -28.32 66.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.626 HD12 ' O ' ' A' ' 57' ' ' ILE . 0.7 OUTLIER -69.89 -44.91 78.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.413 HG23 ' H ' ' A' ' 62' ' ' THR . 27.9 p -60.74 -32.48 71.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.394 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 1.011 ' O ' HD22 ' A' ' 34' ' ' LEU . 10.4 mmtp -60.79 -52.61 64.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.509 ' CZ ' ' HB3' ' A' ' 80' ' ' CYS . 9.6 m-85 -62.5 -36.4 82.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 110.977 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -48.64 -55.12 12.15 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.486 1.116 . . . . 0.0 110.318 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.449 ' HB3' ' CD1' ' A' ' 34' ' ' LEU . 23.8 tp10 -66.53 -43.3 85.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 0.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.629 ' HB2' ' HB3' ' A' ' 34' ' ' LEU . . . -54.31 -45.42 72.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.12 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.666 HD21 HG23 ' A' ' 78' ' ' VAL . 6.9 mt -64.45 -28.36 69.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.9 -31.41 68.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.873 HG21 ' O ' ' A' ' 29' ' ' LEU . 4.6 mt -78.75 -42.7 25.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -143.94 110.05 5.13 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -18.06 19.18 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.5 1.79 . . . . 0.0 111.04 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.18 2.59 34.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.464 ' HB3' ' HB3' ' A' ' 77' ' ' ALA . 1.2 tptp -69.62 79.54 0.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.27 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.87 -32.53 32.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.498 ' HG3' ' CE3' ' A' ' 79' ' ' TRP . 17.9 tt0 -66.5 -51.73 53.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.315 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.464 ' HB3' ' HB3' ' A' ' 74' ' ' LYS . . . -52.59 -32.84 43.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.927 HG11 ' HB2' ' A' ' 111' ' ' GLN . 16.9 t -74.69 -53.55 16.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.092 . . . . 0.0 109.257 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.498 ' CE3' ' HG3' ' A' ' 76' ' ' GLU . 0.4 OUTLIER -57.86 -46.32 84.99 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.509 ' HB3' ' CZ ' ' A' ' 64' ' ' PHE . 0.5 OUTLIER -50.41 -55.27 16.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 108.287 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.658 ' CD1' HD12 ' A' ' 68' ' ' LEU . 72.5 mt -52.04 -41.13 31.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -68.75 -44.65 69.07 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.451 1.094 . . . . 0.0 110.97 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -63.66 -32.0 73.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 0.739 . . . . 0.0 109.263 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.412 ' HB1' HG23 ' A' ' 57' ' ' ILE . . . -67.97 -55.16 13.72 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.602 ' CD1' ' ND2' ' A' ' 101' ' ' ASN . 10.8 m-85 -59.29 -48.57 81.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.994 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 96.1 m -54.69 -47.09 74.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 110.432 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.2 t -67.01 -50.98 60.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.996 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.732 ' HB2' HG21 ' A' ' 57' ' ' ILE . 40.4 t80 -54.09 -34.69 60.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.622 ' HB1' ' HB1' ' A' ' 98' ' ' ALA . . . -58.96 -48.91 79.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -57.89 -23.19 52.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 111.03 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.981 HD22 ' CG1' ' A' ' 50' ' ' ILE . 5.3 mt -94.63 -3.02 50.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.249 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.578 HG21 ' HB2' ' A' ' 97' ' ' GLU . 1.5 m -98.5 105.89 32.74 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 110.441 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.59 ' HA ' ' CE2' ' A' ' 140' ' ' TYR . 18.3 Cg_endo -74.96 -13.44 21.5 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.492 1.785 . . . . 0.0 111.011 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.631 ' O ' ' CB ' ' A' ' 95' ' ' GLU . 0.1 OUTLIER -58.69 -49.65 76.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.1 . . . . 0.0 109.267 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.631 ' CB ' ' O ' ' A' ' 94' ' ' ASP . 2.0 mm-40 97.42 -55.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.299 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.37 -38.92 78.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.413 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.578 ' HB2' HG21 ' A' ' 92' ' ' THR . 6.3 mt-10 -75.86 -35.18 59.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.336 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.622 ' HB1' ' HB1' ' A' ' 89' ' ' ALA . . . -69.94 -52.53 23.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.54 -49.88 73.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.508 ' CD2' ' C ' ' A' ' 100' ' ' HIS . 0.3 OUTLIER -56.13 -44.11 78.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.594 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.602 ' ND2' ' CD1' ' A' ' 85' ' ' TYR . 2.9 m120 -66.54 -47.81 71.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.143 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.553 ' HB3' ' HB1' ' A' ' 132' ' ' ALA . 2.0 m-85 -51.08 -45.52 61.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -73.6 -20.18 60.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.482 HD23 ' HG2' ' A' ' 107' ' ' GLN . 0.1 OUTLIER -76.03 -46.05 31.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.731 ' HB1' ' CZ ' ' A' ' 109' ' ' PHE . . . -61.54 -24.57 66.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.511 ' HA ' ' CD2' ' A' ' 109' ' ' PHE . 2.6 m -63.63 -55.07 26.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.406 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.482 ' HG2' HD23 ' A' ' 104' ' ' LEU . 1.7 pt20 -54.97 -23.92 21.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 110.311 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.8 ' HD1' HG13 ' A' ' 78' ' ' VAL . 15.0 m-85 -82.93 -44.02 15.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 110.989 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.731 ' CZ ' ' HB1' ' A' ' 105' ' ' ALA . 19.1 m-30 -54.5 -32.72 58.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 111.062 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.87 -30.4 70.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.297 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.927 ' HB2' HG11 ' A' ' 78' ' ' VAL . 39.5 mt-30 -81.22 -41.16 22.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.098 . . . . 0.0 110.315 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.5 ' O ' ' CD2' ' A' ' 122' ' ' TYR . . . -61.66 -52.8 62.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.252 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.722 HG12 ' HB3' ' A' ' 122' ' ' TYR . 4.1 m -63.64 -35.48 72.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.42 -45.92 9.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -75.1 -44.17 48.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.342 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -139.2 83.51 17.71 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.477 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.4 Cg_endo -74.94 -9.25 20.77 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.513 1.796 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -96.73 -11.87 24.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -68.36 116.29 8.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.479 ' HA ' HD12 ' A' ' 123' ' ' LEU . 2.0 t -52.81 -39.8 62.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.414 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -58.44 -45.57 88.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.54 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.722 ' HB3' HG12 ' A' ' 113' ' ' VAL . 12.0 m-30 -77.52 -24.09 50.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 111.014 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.973 HD13 ' N ' ' A' ' 124' ' ' LYS . 0.0 OUTLIER -77.43 -50.41 12.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 109.268 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.973 ' N ' HD13 ' A' ' 123' ' ' LEU . 0.1 OUTLIER -59.32 -43.78 92.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.54 -42.29 87.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.969 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.561 ' O ' HG23 ' A' ' 129' ' ' THR . 13.6 tp -72.9 -56.36 5.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -55.23 -29.53 58.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 110.272 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . 0.402 ' N ' ' O ' ' A' ' 124' ' ' LYS . 8.8 mmm -59.16 -31.81 69.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.561 HG23 ' O ' ' A' ' 126' ' ' LEU . 28.0 p -62.99 -28.53 70.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.342 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 129' ' ' THR . . . -39.62 -43.24 1.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.266 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.41 ' O ' ' CB ' ' A' ' 135' ' ' LEU . 0.7 OUTLIER -122.03 48.14 1.77 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 109.336 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.702 ' HB3' ' HD3' ' A' ' 133' ' ' PRO . . . -65.1 -49.58 65.84 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' PRO . . . . . 0.702 ' HD3' ' HB3' ' A' ' 132' ' ' ALA . 18.3 Cg_endo -74.97 -26.67 10.76 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.5 1.789 . . . . 0.0 110.964 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . 0.458 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 64.6 mm-40 -80.47 -48.32 12.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.302 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.732 ' O ' ' HB2' ' A' ' 139' ' ' ALA . 35.5 mt -51.63 -41.07 61.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' HIS . . . . . 0.546 ' CE1' ' HA ' ' A' ' 95' ' ' GLU . 60.0 t-80 -66.85 -44.91 79.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.088 . . . . 0.0 109.56 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.528 ' O ' ' CB ' ' A' ' 141' ' ' LYS . . . -61.88 -53.0 61.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.138 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.473 ' CG ' ' HA ' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -68.96 -26.97 65.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.264 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.732 ' HB2' ' O ' ' A' ' 135' ' ' LEU . . . -58.95 -51.33 70.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' TYR . . . . . 0.59 ' CE2' ' HA ' ' A' ' 93' ' ' PRO . 7.5 m-85 -88.3 -41.98 12.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 111.044 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . 0.528 ' CB ' ' O ' ' A' ' 137' ' ' ALA . 8.3 ttpp -55.4 -47.23 76.21 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.459 1.1 . . . . 0.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 110.288 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.3 ttm180 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.464 HG23 HD22 ' A' ' 44' ' ' LEU . 30.3 mt -61.81 -38.46 80.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.439 HD23 ' N ' ' A' ' 11' ' ' LEU . 6.6 mt -57.95 -41.69 83.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.336 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.924 HD12 HD12 ' A' ' 16' ' ' ILE . 0.2 OUTLIER -59.53 -50.54 73.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.347 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.769 ' HD1' HG23 ' A' ' 40' ' ' VAL . 15.3 m-85 -63.73 -35.58 81.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.127 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -61.18 -57.69 11.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.163 . . . . 0.0 110.273 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.444 ' CG ' ' O ' ' A' ' 12' ' ' LEU . 7.2 pt20 -52.68 -31.63 38.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.327 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.924 HD12 HD12 ' A' ' 12' ' ' LEU . 5.2 mt -71.26 -50.59 40.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.446 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.4 OUTLIER -52.45 -56.29 16.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 110.279 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.43 ' HG3' ' N ' ' A' ' 19' ' ' ASP . 5.4 pt20 -53.81 -45.11 70.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.287 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.43 ' N ' ' HG3' ' A' ' 18' ' ' GLN . 0.3 OUTLIER -62.34 -38.52 89.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.779 ' HB1' ' CG ' ' A' ' 37' ' ' TRP . . . -56.99 -45.78 82.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.651 ' HG2' ' CZ2' ' A' ' 37' ' ' TRP . 3.2 mt-10 -62.0 -41.86 98.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.12 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.455 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 1.1 m120 -69.29 -47.85 63.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.544 HG21 ' CG ' ' A' ' 33' ' ' ASN . 4.3 m -60.56 -21.41 62.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.441 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.402 ' O ' ' N ' ' A' ' 28' ' ' PRO . 5.5 t80 -65.46 -62.3 1.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.955 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 22' ' ' ASN . 0.4 OUTLIER -64.14 -24.34 67.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.08 -25.38 29.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.017 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' A' ' 23' ' ' THR . 14.8 m120 -169.61 82.55 0.63 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.402 ' N ' ' O ' ' A' ' 24' ' ' TYR . 18.4 Cg_endo -74.98 -13.03 21.57 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.464 1.77 . . . . 0.0 111.033 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.817 ' O ' HG21 ' A' ' 70' ' ' ILE . 11.3 mt -82.47 -18.32 42.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.24 99.48 0.39 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.807 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . . . -74.03 -22.26 59.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.102 . . . . 0.0 109.282 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -69.23 -55.01 11.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.16 . . . . 0.0 109.319 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.544 ' CG ' HG21 ' A' ' 23' ' ' THR . 1.7 t30 -69.62 -34.96 74.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.969 ' HG ' ' HB2' ' A' ' 67' ' ' ALA . 1.3 tp -66.89 -41.14 87.7 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.41 ' CB ' ' O ' ' A' ' 31' ' ' ALA . 4.7 m -69.0 -53.58 19.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.377 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.434 ' CD ' HG23 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -57.87 -19.11 26.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 110.274 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.779 ' CG ' ' HB1' ' A' ' 20' ' ' ALA . 6.9 t90 -67.48 -27.53 67.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 107.995 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.599 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -82.57 -56.53 2.78 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.485 1.116 . . . . 0.0 110.964 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -42.44 -45.71 5.45 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.769 HG23 ' HD1' ' A' ' 13' ' ' PHE . 5.5 p -67.36 -37.61 79.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.492 0.76 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 38' ' ' GLY . 10.1 mt -60.94 -41.49 96.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.309 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.1 mt -65.51 -35.94 82.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -65.19 -58.14 6.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.271 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.464 HD22 HG23 ' A' ' 10' ' ' ILE . 88.0 mt -61.84 -25.11 67.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.45 -36.45 71.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.997 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.444 ' HG2' ' N ' ' A' ' 47' ' ' PHE . 4.4 pt20 -66.66 -35.06 79.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.133 . . . . 0.0 110.347 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.685 ' CE2' ' CD2' ' A' ' 48' ' ' HIS . 0.0 OUTLIER -80.46 -35.05 35.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 111.035 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.685 ' CD2' ' CE2' ' A' ' 47' ' ' PHE . 2.6 m-70 -80.37 141.52 35.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.594 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 59.6 m -48.62 160.58 0.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.97 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.567 ' HA ' ' HB3' ' A' ' 53' ' ' ALA . 0.2 OUTLIER -57.54 -48.62 82.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 56.0 p -44.36 -52.35 7.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 110.021 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -75.85 -38.33 58.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.567 ' HB3' ' HA ' ' A' ' 50' ' ' ILE . . . -47.2 -54.57 10.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.496 ' CD ' HG23 ' A' ' 50' ' ' ILE . 0.4 OUTLIER -52.6 -58.28 7.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.32 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 58.7 mm-40 -52.78 -41.97 64.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.291 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 87.7 mtp -66.82 -34.33 77.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 111.008 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.946 HG21 ' HB2' ' A' ' 88' ' ' PHE . 32.4 mt -72.48 -45.73 58.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.519 ' O ' HG23 ' A' ' 62' ' ' THR . 5.2 mt-30 -49.32 -54.37 17.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.347 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.422 ' HG2' ' N ' ' A' ' 60' ' ' ALA . 4.7 pt-20 -65.07 -34.19 77.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.336 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.422 ' N ' ' HG2' ' A' ' 59' ' ' GLU . . . -59.54 -31.55 69.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.509 HG12 ' CE1' ' A' ' 85' ' ' TYR . 0.5 OUTLIER -76.31 -58.01 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.519 HG23 ' O ' ' A' ' 58' ' ' GLN . 58.8 p -50.06 -25.4 3.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.407 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.475 ' HG3' ' CD1' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -71.34 -50.87 27.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.326 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.602 ' CZ ' ' SG ' ' A' ' 80' ' ' CYS . 23.5 m-85 -57.89 -43.31 85.99 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.58 -56.42 8.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 110.265 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.714 ' HB3' HD21 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -59.93 -38.03 81.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 110.308 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.969 ' HB2' ' HG ' ' A' ' 34' ' ' LEU . . . -65.85 -39.39 90.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.704 HD21 HG23 ' A' ' 78' ' ' VAL . 7.3 mt -63.81 -28.69 70.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.464 HD12 ' HA ' ' A' ' 66' ' ' GLU . 0.6 OUTLIER -68.06 -33.57 74.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.939 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.817 HG21 ' O ' ' A' ' 29' ' ' LEU . 5.0 mt -73.35 -43.49 56.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -146.79 105.88 3.96 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.339 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -13.01 21.66 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.468 1.773 . . . . 0.0 111.017 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.0 ptmt -84.09 0.61 47.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.39 80.21 1.89 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.423 ' N ' ' OD1' ' A' ' 75' ' ' ASP . 0.3 OUTLIER -54.29 -23.62 15.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.324 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 52.3 tt0 -69.47 -52.75 23.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.09 . . . . 0.0 110.269 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.34 -31.86 35.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.938 HG11 ' HB2' ' A' ' 111' ' ' GLN . 24.4 t -74.65 -52.92 18.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.26 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.524 ' CZ2' ' ND2' ' A' ' 83' ' ' ASN . 0.4 OUTLIER -59.08 -46.54 88.03 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.602 ' SG ' ' CZ ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -50.54 -52.88 34.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 108.362 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.617 ' CG2' ' CE2' ' A' ' 85' ' ' TYR . 58.9 mt -51.99 -41.76 32.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.429 ' HA3' ' CE1' ' A' ' 109' ' ' PHE . . . -67.51 -41.41 90.34 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.502 1.126 . . . . 0.0 110.984 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.524 ' ND2' ' CZ2' ' A' ' 79' ' ' TRP . 7.4 m-20 -64.5 -35.76 81.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 0.759 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.488 ' HB1' HG23 ' A' ' 57' ' ' ILE . . . -65.43 -55.62 16.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.617 ' CE2' ' CG2' ' A' ' 81' ' ' ILE . 16.0 m-85 -58.14 -43.41 87.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 111.006 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 73.8 m -55.4 -47.62 75.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.417 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.407 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 36.5 m -66.95 -52.49 42.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 110.011 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.946 ' HB2' HG21 ' A' ' 57' ' ' ILE . 37.5 t80 -52.28 -32.32 36.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 111.032 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.429 ' HB1' ' CE2' ' A' ' 102' ' ' PHE . . . -64.07 -48.59 75.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.244 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -57.69 -17.23 13.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.505 HD22 ' CG1' ' A' ' 50' ' ' ILE . 7.0 mt -95.9 -21.22 18.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -96.89 117.58 65.73 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.358 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -27.04 10.33 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.473 1.775 . . . . 0.0 110.963 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.424 ' OD1' ' HB ' ' A' ' 96' ' ' THR . 10.4 t70 -58.93 93.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -46.02 -45.93 16.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 110.332 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.424 ' HB ' ' OD1' ' A' ' 94' ' ' ASP . 0.9 OUTLIER -51.55 -51.41 55.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.547 1.154 . . . . 0.0 110.4 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -73.87 -49.88 22.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.323 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -52.34 -53.83 39.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.339 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -51.15 70.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.559 ' CD2' ' C ' ' A' ' 100' ' ' HIS . 0.1 OUTLIER -49.3 -39.85 32.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.616 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -69.96 -54.32 13.83 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.904 ' CD1' ' HB1' ' A' ' 132' ' ' ALA . 6.1 m-85 -51.82 -39.74 59.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.7 -19.72 60.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.552 HD23 ' HG2' ' A' ' 107' ' ' GLN . 0.2 OUTLIER -75.64 -48.58 21.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 109.273 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.955 ' HB1' ' CZ ' ' A' ' 109' ' ' PHE . . . -56.35 -28.03 57.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 16.0 m -60.44 -56.57 19.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 110.396 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.552 ' HG2' HD23 ' A' ' 104' ' ' LEU . 0.3 OUTLIER -57.26 -22.81 44.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.746 ' HD1' HG13 ' A' ' 78' ' ' VAL . 7.0 m-85 -83.23 -48.95 9.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 110.999 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.955 ' CZ ' ' HB1' ' A' ' 105' ' ' ALA . 20.6 m-85 -53.84 -32.38 52.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.969 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.415 ' HA ' ' NE2' ' A' ' 110' ' ' GLN . 0.0 OUTLIER -61.1 -28.0 68.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 110.283 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.938 ' HB2' HG11 ' A' ' 78' ' ' VAL . 35.5 mt-30 -81.44 -43.06 19.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.589 1.18 . . . . 0.0 110.333 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -54.55 -55.37 29.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.294 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.711 HG12 ' HB3' ' A' ' 122' ' ' TYR . 16.7 m -63.27 -34.37 66.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -45.65 -52.05 11.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -63.36 -42.37 98.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 110.26 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.439 ' O ' ' CG ' ' A' ' 116' ' ' GLN . 3.1 tt0 -157.8 91.55 2.25 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.147 . . . . 0.0 110.351 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.475 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.3 Cg_endo -74.97 -3.86 14.55 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.505 1.792 . . . . 0.0 111.034 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -89.36 8.05 32.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -86.7 121.57 29.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 61.5 p -57.94 -50.98 71.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.117 . . . . 0.0 110.398 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . 0.45 ' CD2' ' H ' ' A' ' 121' ' ' HIS . 12.5 m-70 -49.85 -52.6 31.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.639 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.711 ' HB3' HG12 ' A' ' 113' ' ' VAL . 10.2 m-30 -60.64 -34.88 74.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.901 HD13 ' N ' ' A' ' 124' ' ' LYS . 0.0 OUTLIER -60.41 -53.74 54.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.358 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.901 ' N ' HD13 ' A' ' 123' ' ' LEU . 0.0 OUTLIER -55.02 -42.53 72.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.33 -37.21 72.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.03 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.4 ' O ' ' OG1' ' A' ' 129' ' ' THR . 11.1 tp -73.35 -41.97 62.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.27 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.06 -32.74 73.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.263 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.87 -28.54 64.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.968 ' HA ' ' HB2' ' A' ' 132' ' ' ALA . 18.0 p -68.54 -38.18 80.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.415 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 129' ' ' THR . . . -39.4 -39.91 0.74 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.402 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 16.3 mttt -131.15 38.24 3.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.968 ' HB2' ' HA ' ' A' ' 129' ' ' THR . . . -60.84 -52.35 73.02 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' PRO . . . . . 0.776 ' HD3' ' HB3' ' A' ' 132' ' ' ALA . 18.3 Cg_endo -74.97 -21.55 15.8 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.465 1.771 . . . . 0.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . 0.435 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 49.8 mm-40 -80.27 -47.24 14.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.282 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.654 ' O ' ' HB2' ' A' ' 139' ' ' ALA . 8.0 mt -48.27 -42.62 31.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' HIS . . . . . 0.549 ' NE2' ' CZ ' ' A' ' 140' ' ' TYR . 6.7 t-80 -67.35 -44.62 78.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.169 . . . . 0.0 109.576 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.423 ' O ' ' HB3' ' A' ' 141' ' ' LYS . . . -61.86 -52.74 62.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.508 ' O ' ' CB ' ' A' ' 142' ' ' GLN . 0.0 OUTLIER -68.12 -26.65 65.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.287 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.654 ' HB2' ' O ' ' A' ' 135' ' ' LEU . . . -72.13 -35.58 69.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' TYR . . . . . 0.549 ' CZ ' ' NE2' ' A' ' 136' ' ' HIS . 3.7 m-85 -88.29 -43.82 11.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 111.016 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . 0.439 ' HG2' ' N ' ' A' ' 142' ' ' GLN . 0.0 OUTLIER -66.29 -43.73 85.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . 0.508 ' CB ' ' O ' ' A' ' 138' ' ' GLU . 8.4 tm0? . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.355 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.499 ' CG ' ' CE2' ' A' ' 13' ' ' PHE . 10.6 ttm180 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.757 HG23 ' CD2' ' A' ' 44' ' ' LEU . 68.3 mt -66.89 -44.58 88.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.7 mt -56.61 -40.37 75.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.431 1.082 . . . . 0.0 109.268 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.755 ' CD1' HD11 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -61.42 -49.16 77.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.337 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.686 ' HA ' HD12 ' A' ' 16' ' ' ILE . 12.2 m-85 -64.01 -36.68 84.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.943 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -56.48 -52.22 65.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 110.311 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.446 ' HG3' ' N ' ' A' ' 16' ' ' ILE . 3.6 pt20 -62.0 -27.57 68.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.755 HD11 ' CD1' ' A' ' 12' ' ' LEU . 69.6 mt -71.19 -53.31 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.259 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.484 ' O ' ' CB ' ' A' ' 21' ' ' GLU . 4.6 ttt180 -53.71 -39.69 65.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.292 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -66.41 -48.27 70.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.305 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.501 ' O ' ' CB ' ' A' ' 23' ' ' THR . 0.4 OUTLIER -66.57 -44.8 81.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.899 ' HB1' ' HB2' ' A' ' 37' ' ' TRP . . . -65.99 -55.57 16.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.574 ' HG3' ' CZ2' ' A' ' 37' ' ' TRP . 30.2 tt0 -54.18 -46.51 72.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.321 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 23.2 t30 -68.61 -45.56 71.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.544 HG21 ' CG ' ' A' ' 33' ' ' ASN . 2.8 m -54.09 -27.42 32.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.402 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -48.97 -59.79 3.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 111.002 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.7 -25.85 68.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.37 -42.35 68.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.968 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -159.03 91.13 1.98 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 0.85 8.43 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.509 1.794 . . . . 0.0 110.996 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.809 ' O ' HG21 ' A' ' 70' ' ' ILE . 10.2 mt -94.7 -21.04 19.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.48 ' O ' ' CB ' ' A' ' 34' ' ' LEU . 0.9 OUTLIER -64.64 99.33 0.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 109.302 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.686 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . . . -70.31 -33.93 72.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -63.78 -55.52 22.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.298 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.544 ' CG ' HG21 ' A' ' 23' ' ' THR . 0.2 OUTLIER -67.96 -36.06 79.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.991 ' HG ' ' HB2' ' A' ' 67' ' ' ALA . 1.1 tp -64.22 -46.24 84.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.2 m -67.32 -43.62 81.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.38 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -59.92 -31.35 69.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.314 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.899 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . 14.7 t90 -63.22 -26.73 68.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 107.996 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.579 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -86.44 -55.24 2.5 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.48 1.112 . . . . 0.0 110.976 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -43.72 -41.6 5.75 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.538 HG23 ' CD1' ' A' ' 13' ' ' PHE . 1.8 p -67.36 -48.22 78.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 0.765 . . . . 0.0 109.345 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.559 HD12 ' NZ ' ' A' ' 63' ' ' LYS . 25.3 mt -48.29 -43.51 32.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 17.6 mt -65.58 -39.39 91.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.364 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.551 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 12.1 mm-40 -60.6 -58.17 9.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.3 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.757 ' CD2' HG23 ' A' ' 10' ' ' ILE . 30.2 mt -61.53 -24.12 66.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.406 ' HA ' ' SD ' ' A' ' 56' ' ' MET . 2.7 t -53.29 -28.05 26.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.018 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -67.9 -40.16 83.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.329 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.606 ' CZ ' ' CE1' ' A' ' 48' ' ' HIS . 0.0 OUTLIER -80.69 -31.82 36.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 111.003 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.606 ' CE1' ' CZ ' ' A' ' 47' ' ' PHE . 5.1 m-70 -78.75 145.22 34.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.595 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 36.6 m -54.79 161.77 1.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.956 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.894 ' CG1' HD22 ' A' ' 91' ' ' LEU . 0.8 OUTLIER -61.71 -46.92 95.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.7 p -47.68 -56.46 7.23 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.475 1.11 . . . . 0.0 109.973 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.43 -40.01 77.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.629 ' C ' HD12 ' A' ' 57' ' ' ILE . . . -46.37 -53.72 10.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.597 ' HB3' ' CE2' ' A' ' 88' ' ' PHE . 5.5 mtpt -59.51 -36.51 76.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -67.27 -56.36 10.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.29 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.452 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 24.3 ptm -64.43 -28.01 69.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.816 HG21 ' HB2' ' A' ' 88' ' ' PHE . 27.2 mt -68.36 -40.57 82.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.422 ' CG ' ' O ' ' A' ' 54' ' ' LYS . 2.0 mt-30 -55.38 -55.14 35.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.291 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.687 ' HG3' ' HZ1' ' A' ' 63' ' ' LYS . 2.3 pt-20 -59.59 -33.93 72.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 110.315 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.569 ' N ' ' HG2' ' A' ' 59' ' ' GLU . . . -61.53 -30.86 70.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.555 HD12 ' O ' ' A' ' 57' ' ' ILE . 0.5 OUTLIER -70.74 -62.25 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.582 HG22 ' HA ' ' A' ' 59' ' ' GLU . 1.2 t -48.29 -35.43 12.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 110.462 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.687 ' HZ1' ' HG3' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -57.24 -47.6 80.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.579 ' CE1' ' HA3' ' A' ' 38' ' ' GLY . 18.9 m-85 -65.82 -37.58 86.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -48.95 -55.81 10.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 110.316 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.58 ' HB3' HD21 ' A' ' 34' ' ' LEU . 0.8 OUTLIER -64.87 -40.96 95.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.308 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.991 ' HB2' ' HG ' ' A' ' 34' ' ' LEU . . . -59.41 -34.22 72.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.852 HD21 HG23 ' A' ' 78' ' ' VAL . 7.2 mt -69.2 -31.7 70.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' A' ' 66' ' ' GLU . 0.4 OUTLIER -65.45 -34.89 79.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.946 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.809 HG21 ' O ' ' A' ' 29' ' ' LEU . 4.0 mt -73.18 -38.57 55.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -148.89 108.05 3.47 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -17.56 19.54 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.537 1.809 . . . . 0.0 111.021 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.9 ptpt -83.26 1.69 39.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.518 ' HB3' ' HB3' ' A' ' 77' ' ' ALA . 4.1 tppt? -68.31 76.63 0.26 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -52.44 -36.2 54.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.271 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 54.5 tt0 -64.07 -50.05 69.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.112 . . . . 0.0 110.25 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.518 ' HB3' ' HB3' ' A' ' 74' ' ' LYS . . . -54.89 -34.02 62.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.889 HG11 ' HB2' ' A' ' 111' ' ' GLN . 22.4 t -74.56 -53.23 17.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.428 ' CZ3' ' SG ' ' A' ' 80' ' ' CYS . 0.9 OUTLIER -57.97 -46.25 85.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 108.041 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.494 ' HB3' ' CZ ' ' A' ' 64' ' ' PHE . 0.8 OUTLIER -50.08 -53.13 29.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 108.302 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.756 HG21 ' CZ ' ' A' ' 108' ' ' PHE . 60.0 mt -51.9 -37.61 21.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -70.04 -41.28 71.51 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.418 ' OD1' ' NE1' ' A' ' 79' ' ' TRP . 3.0 m120 -64.53 -39.49 93.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 0.798 . . . . 0.0 109.287 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.447 ' HB1' ' CD1' ' A' ' 61' ' ' ILE . . . -64.03 -52.79 57.8 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.493 1.121 . . . . 0.0 109.326 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.559 ' CE2' HD13 ' A' ' 104' ' ' LEU . 6.1 m-85 -60.18 -50.53 73.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 53.4 m -54.99 -46.55 75.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 110.442 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.2 m -67.08 -52.06 46.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.018 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.816 ' HB2' HG21 ' A' ' 57' ' ' ILE . 36.0 t80 -53.38 -31.37 44.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.15 . . . . 0.0 110.995 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.02 -52.15 60.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.29 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -53.87 -22.4 9.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.992 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.894 HD22 ' CG1' ' A' ' 50' ' ' ILE . 9.5 mt -89.58 -28.96 19.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.255 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.402 ' C ' ' OH ' ' A' ' 140' ' ' TYR . 0.9 OUTLIER -86.17 121.31 72.71 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.39 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.602 ' HA ' ' CE2' ' A' ' 140' ' ' TYR . 18.3 Cg_endo -75.0 -27.58 9.89 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.516 1.798 . . . . 0.0 110.962 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -59.95 99.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 -50.96 -47.5 61.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 110.26 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.9 t -52.43 -44.86 65.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 110.334 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -75.55 -51.29 13.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.321 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.581 ' HB1' ' CD2' ' A' ' 136' ' ' HIS . . . -53.37 -52.95 57.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.62 -53.57 56.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.471 ' CD2' ' C ' ' A' ' 100' ' ' HIS . 0.8 OUTLIER -50.58 -39.56 50.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.612 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -65.73 -56.14 13.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.919 ' HB3' ' HB1' ' A' ' 132' ' ' ALA . 9.8 m-85 -51.87 -38.9 57.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.128 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -74.55 -20.07 60.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.559 HD13 ' CE2' ' A' ' 85' ' ' TYR . 0.0 OUTLIER -77.46 -52.03 9.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.614 ' HB1' ' CZ ' ' A' ' 109' ' ' PHE . . . -55.99 -24.48 39.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -61.96 -54.51 40.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 110.44 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.441 ' HG2' HD23 ' A' ' 104' ' ' LEU . 0.7 OUTLIER -58.87 -23.35 60.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.268 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.756 ' CZ ' HG21 ' A' ' 81' ' ' ILE . 10.6 m-85 -80.62 -47.03 14.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.958 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.614 ' CZ ' ' HB1' ' A' ' 105' ' ' ALA . 21.9 m-85 -53.88 -38.73 65.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.44 ' HA ' ' NE2' ' A' ' 110' ' ' GLN . 0.2 OUTLIER -53.03 -30.6 36.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.326 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.889 ' HB2' HG11 ' A' ' 78' ' ' VAL . 36.9 mt-30 -81.41 -42.81 19.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.513 ' O ' ' CD2' ' A' ' 122' ' ' TYR . . . -61.02 -50.92 71.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.645 HG12 ' HB3' ' A' ' 122' ' ' TYR . 13.9 m -65.05 -34.77 72.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.9 -42.95 8.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.362 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -75.22 -43.91 49.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 110.303 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 21.3 mm100 -144.16 83.49 10.11 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.27 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.466 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.3 Cg_endo -74.97 -3.44 13.93 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.484 1.781 . . . . 0.0 110.974 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -101.16 -11.76 19.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.276 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -69.85 118.05 12.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.499 ' HA ' HD12 ' A' ' 123' ' ' LEU . 1.8 t -52.78 -40.07 62.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.394 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -58.5 -45.28 89.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.577 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.645 ' HB3' HG12 ' A' ' 113' ' ' VAL . 10.2 m-30 -78.58 -24.47 45.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 111.018 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.987 HD13 ' N ' ' A' ' 124' ' ' LYS . 0.0 OUTLIER -76.29 -50.98 12.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.987 ' N ' HD13 ' A' ' 123' ' ' LEU . 7.7 tptt -51.28 -45.46 62.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.11 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . 0.417 ' O ' HG23 ' A' ' 129' ' ' THR . 0.0 OUTLIER -55.93 -42.17 75.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 0.0 109.966 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 15.6 tp -68.15 -40.1 82.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -68.01 -34.35 76.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.259 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . 0.437 ' HE2' HD13 ' A' ' 135' ' ' LEU . 3.4 mtp -56.48 -32.12 64.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.675 ' HA ' ' HB2' ' A' ' 132' ' ' ALA . 17.0 p -67.73 -39.69 84.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.398 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -42.02 -29.15 0.21 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.127 . . . . 0.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.412 ' N ' ' C ' ' A' ' 129' ' ' THR . 8.8 mmtt -130.19 39.77 3.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.345 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.919 ' HB1' ' HB3' ' A' ' 102' ' ' PHE . . . -63.8 -51.46 64.77 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' PRO . . . . . 0.761 ' HD3' ' HB3' ' A' ' 132' ' ' ALA . 18.4 Cg_endo -74.98 -25.41 11.93 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.528 1.804 . . . . 0.0 111.008 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . 0.465 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 27.7 tp60 -80.52 -51.02 9.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.264 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.719 ' O ' ' HB2' ' A' ' 139' ' ' ALA . 54.0 mt -50.99 -41.93 59.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' HIS . . . . . 0.581 ' CD2' ' HB1' ' A' ' 98' ' ' ALA . 59.2 t-80 -67.29 -44.3 79.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.592 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.516 ' O ' ' CB ' ' A' ' 141' ' ' LYS . . . -62.06 -52.42 63.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.465 ' CG ' ' O ' ' A' ' 134' ' ' GLN . 0.0 OUTLIER -69.2 -27.82 65.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 110.308 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.719 ' HB2' ' O ' ' A' ' 135' ' ' LEU . . . -61.42 -49.19 77.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' TYR . . . . . 0.602 ' CE2' ' HA ' ' A' ' 93' ' ' PRO . 6.2 m-85 -87.16 -41.81 13.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.974 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . 0.516 ' CB ' ' O ' ' A' ' 137' ' ' ALA . 0.0 OUTLIER -55.4 -48.1 74.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 110.323 179.997 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.432 ' CG ' ' CE2' ' A' ' 13' ' ' PHE . 12.7 ttm180 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.789 HG23 ' CD2' ' A' ' 44' ' ' LEU . 52.1 mt -62.6 -39.59 85.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.6 mt -63.4 -36.34 83.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.271 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.506 HD12 ' CD1' ' A' ' 16' ' ' ILE . 0.1 OUTLIER -60.85 -52.77 63.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.526 ' HD1' HG23 ' A' ' 40' ' ' VAL . 21.4 m-85 -63.94 -27.98 69.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 111.016 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.467 ' CG ' ' O ' ' A' ' 10' ' ' ILE . 2.0 mm-40 -63.63 -58.35 7.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.322 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.481 ' HG3' ' N ' ' A' ' 16' ' ' ILE . 0.8 OUTLIER -53.09 -31.5 42.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.278 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.506 ' CD1' HD12 ' A' ' 12' ' ' LEU . 21.3 mt -71.39 -52.53 25.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -49.83 -48.46 50.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 110.263 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.433 ' HG3' ' N ' ' A' ' 19' ' ' ASP . 19.3 pt20 -64.81 -43.41 93.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.477 ' O ' ' CB ' ' A' ' 23' ' ' THR . 0.3 OUTLIER -65.48 -38.92 91.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.791 ' HB1' ' HB2' ' A' ' 37' ' ' TRP . . . -73.44 -57.49 3.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.538 ' HG3' ' CZ2' ' A' ' 37' ' ' TRP . 3.2 tt0 -50.59 -49.51 56.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 31.6 t30 -64.49 -47.62 78.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.602 HG21 ' ND2' ' A' ' 33' ' ' ASN . 2.1 m -53.9 -23.85 14.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.138 . . . . 0.0 110.38 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.457 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 8.4 t80 -53.3 -60.17 3.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.985 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.9 -32.45 70.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.9 t -71.75 -31.87 67.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 110.021 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 23' ' ' THR . 5.6 t-20 -152.98 81.92 5.07 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 15.04 0.77 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.518 1.799 . . . . 0.0 110.995 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.759 ' O ' HG21 ' A' ' 70' ' ' ILE . 13.2 mt -131.66 15.68 4.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.334 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.509 ' O ' ' CB ' ' A' ' 34' ' ' LEU . 1.8 m-20 -90.54 99.28 12.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.696 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . . . -68.03 -27.21 66.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.5 -53.77 12.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.602 ' ND2' HG21 ' A' ' 23' ' ' THR . 18.6 t-20 -71.29 -33.45 69.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.133 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 1.02 ' HG ' ' HB2' ' A' ' 67' ' ' ALA . 4.0 tp -66.89 -40.52 87.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.8 m -71.03 -51.57 24.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.381 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.578 ' HD2' ' HB2' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -58.27 -25.04 61.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.333 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.791 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . 14.5 t90 -67.75 -26.93 66.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 107.963 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.584 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -85.1 -57.71 2.21 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.475 1.109 . . . . 0.0 110.983 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -40.26 -43.66 2.78 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.526 HG23 ' HD1' ' A' ' 13' ' ' PHE . 2.8 p -67.36 -47.43 81.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.543 0.79 . . . . 0.0 109.291 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.564 HD22 ' HG2' ' A' ' 56' ' ' MET . 14.0 mt -48.63 -45.24 38.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.356 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.729 HD13 HD22 ' A' ' 83' ' ' ASN . 13.4 mt -65.57 -41.51 92.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.566 ' O ' ' CE1' ' A' ' 47' ' ' PHE . 8.2 mm-40 -59.74 -57.34 13.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 110.333 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.789 ' CD2' HG23 ' A' ' 10' ' ' ILE . 6.8 mt -59.02 -37.3 76.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.4 m -54.21 -21.75 9.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.028 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.613 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -68.06 -7.25 27.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.306 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.613 ' CZ ' ' HB3' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -158.02 47.98 0.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 110.982 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.499 ' NE2' HD22 ' A' ' 44' ' ' LEU . 2.0 m-70 -132.14 8.2 4.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.601 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.476 ' CB ' ' O ' ' A' ' 48' ' ' HIS . 0.3 OUTLIER 83.91 144.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.028 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.97 ' CG1' HD22 ' A' ' 91' ' ' LEU . 0.1 OUTLIER -56.84 -51.6 65.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.528 ' HA ' ' CE ' ' A' ' 54' ' ' LYS . 46.0 t -45.17 -56.6 4.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.997 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.3 -44.38 68.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.488 ' HB3' ' HA ' ' A' ' 50' ' ' ILE . . . -45.15 -55.11 6.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.528 ' CE ' ' HA ' ' A' ' 51' ' ' SER . 4.3 mtmp? -53.75 -47.14 70.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -62.48 -45.29 93.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 110.284 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.564 ' HG2' HD22 ' A' ' 41' ' ' LEU . 8.4 mtp -65.59 -30.28 70.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.824 HG21 ' HB2' ' A' ' 88' ' ' PHE . 38.9 mt -72.53 -49.36 42.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -47.83 -54.27 12.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.329 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.401 ' HA ' ' OG1' ' A' ' 62' ' ' THR . 3.9 pt-20 -65.47 -34.54 78.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.54 -33.42 71.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.441 HG22 ' N ' ' A' ' 62' ' ' THR . 0.5 OUTLIER -75.33 -58.53 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.441 ' N ' HG22 ' A' ' 61' ' ' ILE . 43.1 p -49.63 -25.65 3.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 110.437 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.566 ' HE3' ' CH2' ' A' ' 37' ' ' TRP . 0.2 OUTLIER -74.0 -44.21 55.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.584 ' CE1' ' HA3' ' A' ' 38' ' ' GLY . 22.2 m-85 -63.04 -44.57 95.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -48.51 -55.54 10.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 110.31 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.468 ' HB3' HD21 ' A' ' 34' ' ' LEU . 0.6 OUTLIER -62.23 -35.48 79.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 1.02 ' HB2' ' HG ' ' A' ' 34' ' ' LEU . . . -64.03 -39.3 93.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 109.305 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.576 HD21 HG23 ' A' ' 78' ' ' VAL . 13.1 mt -64.79 -31.53 72.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.425 HD12 ' HA ' ' A' ' 66' ' ' GLU . 0.5 OUTLIER -66.21 -33.77 76.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.822 HD12 ' HA ' ' A' ' 67' ' ' ALA . 5.6 mt -71.6 -41.9 71.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.562 1.163 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -155.06 114.42 2.34 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -4.71 15.81 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.489 1.784 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 75' ' ' ASP . 1.0 OUTLIER -82.55 -6.31 59.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.368 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.437 ' HB3' ' HB3' ' A' ' 77' ' ' ALA . 1.2 tptp -68.3 68.93 0.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.6 OUTLIER -51.91 -34.05 39.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.482 ' HG3' ' CE3' ' A' ' 79' ' ' TRP . 40.0 tt0 -65.62 -46.54 78.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.437 ' HB3' ' HB3' ' A' ' 74' ' ' LYS . . . -52.76 -31.4 38.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.948 HG11 ' HB2' ' A' ' 111' ' ' GLN . 27.7 t -74.51 -53.07 17.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.482 ' CE3' ' HG3' ' A' ' 76' ' ' GLU . 0.5 OUTLIER -59.3 -47.54 84.99 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.533 1.146 . . . . 0.0 108.014 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.576 ' HB3' ' CZ ' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -50.78 -51.68 48.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 108.31 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.807 HG21 ' CZ ' ' A' ' 108' ' ' PHE . 50.6 mt -52.09 -36.6 20.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -73.45 -42.77 40.01 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.48 1.113 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.729 HD22 HD13 ' A' ' 42' ' ' LEU . 2.3 t30 -64.47 -32.13 73.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 0.79 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.621 ' HB1' HG23 ' A' ' 57' ' ' ILE . . . -69.03 -55.16 11.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.415 ' CA ' ' OD1' ' A' ' 101' ' ' ASN . 7.2 m-85 -60.73 -46.3 90.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 90.1 m -55.21 -47.06 75.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 110.408 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.2 t -66.42 -50.65 62.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 110.009 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.824 ' HB2' HG21 ' A' ' 57' ' ' ILE . 10.7 t80 -52.92 -37.07 60.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.438 ' HB1' ' HB1' ' A' ' 98' ' ' ALA . . . -58.35 -50.04 75.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -57.08 -21.55 32.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.976 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.97 HD22 ' CG1' ' A' ' 50' ' ' ILE . 18.6 mt -94.69 -3.28 49.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.551 HG21 ' HB2' ' A' ' 97' ' ' GLU . 1.3 m -98.61 105.71 31.98 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 110.381 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.571 ' HA ' ' CE2' ' A' ' 140' ' ' TYR . 18.3 Cg_endo -75.06 -12.25 21.39 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.485 1.782 . . . . 0.0 111.0 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.632 ' O ' ' CB ' ' A' ' 95' ' ' GLU . 29.6 m-20 -58.66 -48.68 80.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.632 ' CB ' ' O ' ' A' ' 94' ' ' ASP . 2.5 mm-40 97.33 -55.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.6 t -59.32 -41.33 88.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.414 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.551 ' HB2' HG21 ' A' ' 92' ' ' THR . 3.2 mt-10 -74.3 -34.56 63.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.28 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.507 ' CB ' ' NE2' ' A' ' 136' ' ' HIS . . . -69.81 -52.57 23.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.74 -49.91 71.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.445 ' CD2' ' C ' ' A' ' 100' ' ' HIS . 1.0 OUTLIER -57.71 -35.89 71.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.624 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.434 ' HB3' ' HB2' ' A' ' 89' ' ' ALA . 0.3 OUTLIER -68.96 -48.86 62.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.604 ' CD1' ' HB1' ' A' ' 132' ' ' ALA . 6.2 m-85 -51.27 -44.8 61.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.952 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -71.7 -25.68 62.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.474 HD23 ' HA ' ' A' ' 104' ' ' LEU . 0.0 OUTLIER -72.8 -47.45 46.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.334 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.22 -23.92 67.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.9 m -67.34 -54.94 16.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 110.38 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.474 ' HG2' HD23 ' A' ' 104' ' ' LEU . 0.9 OUTLIER -51.72 -24.41 5.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 110.329 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.823 ' HD1' HG13 ' A' ' 78' ' ' VAL . 7.3 m-85 -83.24 -47.8 11.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.979 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.765 ' O ' HG13 ' A' ' 113' ' ' VAL . 15.7 m-85 -54.08 -25.15 20.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.143 . . . . 0.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -67.06 -30.22 70.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.948 ' HB2' HG11 ' A' ' 78' ' ' VAL . 36.2 mt-30 -81.21 -40.51 23.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.585 ' O ' ' CD2' ' A' ' 122' ' ' TYR . . . -63.57 -50.08 70.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.857 HG12 ' HB3' ' A' ' 122' ' ' TYR . 3.6 m -68.84 -38.46 78.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -44.79 -41.49 7.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.402 ' O ' ' OE1' ' A' ' 116' ' ' GLN . 1.8 mm-40 -75.08 -44.45 47.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 110.312 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.402 ' OE1' ' O ' ' A' ' 115' ' ' GLU . 17.0 mm100 -143.79 82.85 10.9 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.287 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.462 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.4 Cg_endo -75.01 -10.87 21.39 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.513 1.796 . . . . 0.0 111.033 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -91.48 -12.11 35.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -69.9 112.8 6.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.594 ' HA ' HD12 ' A' ' 123' ' ' LEU . 2.2 t -52.73 -22.92 5.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.458 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -70.46 -48.67 54.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.589 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.857 ' HB3' HG12 ' A' ' 113' ' ' VAL . 15.3 m-30 -79.19 -25.67 42.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 1.01 HD13 ' N ' ' A' ' 124' ' ' LYS . 0.0 OUTLIER -69.04 -50.15 51.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.137 . . . . 0.0 109.329 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 1.01 ' N ' HD13 ' A' ' 123' ' ' LEU . 4.2 mptt -50.3 -43.68 53.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . 0.981 ' O ' HG23 ' A' ' 129' ' ' THR . 0.7 OUTLIER -55.48 -41.22 72.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.987 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.432 ' O ' ' OG1' ' A' ' 129' ' ' THR . 3.9 tp -69.49 -35.1 75.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.337 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -68.07 -43.56 78.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -64.67 -45.41 86.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.981 HG23 ' O ' ' A' ' 125' ' ' SER . 40.7 p -53.52 -31.95 48.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.39 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -40.7 -64.02 0.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 109.297 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.494 ' O ' ' CG ' ' A' ' 135' ' ' LEU . 0.4 OUTLIER -95.34 53.15 1.47 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.65 ' HB3' ' HD3' ' A' ' 133' ' ' PRO . . . -66.84 -48.33 52.18 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.343 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' PRO . . . . . 0.65 ' HD3' ' HB3' ' A' ' 132' ' ' ALA . 18.3 Cg_endo -75.03 -27.67 9.76 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.515 1.798 . . . . 0.0 110.954 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . 0.465 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 2.0 mm-40 -80.86 -47.1 14.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.295 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.727 ' O ' ' HB2' ' A' ' 139' ' ' ALA . 20.5 mt -52.61 -41.3 63.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' HIS . . . . . 0.507 ' NE2' ' CB ' ' A' ' 98' ' ' ALA . 27.4 t-80 -66.66 -44.7 81.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.616 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.521 ' O ' ' CB ' ' A' ' 141' ' ' LYS . . . -61.62 -53.29 58.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.465 ' CG ' ' O ' ' A' ' 134' ' ' GLN . 0.0 OUTLIER -68.99 -26.76 65.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.275 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.727 ' HB2' ' O ' ' A' ' 135' ' ' LEU . . . -59.11 -51.5 69.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' TYR . . . . . 0.571 ' CE2' ' HA ' ' A' ' 93' ' ' PRO . 8.0 m-85 -88.17 -42.92 12.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.989 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . 0.521 ' CB ' ' O ' ' A' ' 137' ' ' ALA . 0.0 OUTLIER -55.99 -47.75 77.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . 0.401 ' CB ' ' O ' ' A' ' 138' ' ' GLU . 3.2 tt0 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 110.331 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.442 ' CG ' ' CE2' ' A' ' 13' ' ' PHE . 8.3 ttm180 . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.34 -0.245 . . . . 0.0 110.34 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.726 HG23 ' CD2' ' A' ' 44' ' ' LEU . 35.1 mt -57.53 -43.43 83.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.346 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.494 HD23 ' N ' ' A' ' 11' ' ' LEU . 3.4 mt -57.01 -41.37 78.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.539 HD12 ' CD1' ' A' ' 16' ' ' ILE . 0.1 OUTLIER -58.78 -51.52 69.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.635 ' HB3' HG22 ' A' ' 40' ' ' VAL . 14.9 m-85 -63.73 -37.31 86.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 111.015 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.55 ' HG2' HD21 ' A' ' 44' ' ' LEU . 3.3 mm-40 -58.67 -58.36 8.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.108 . . . . 0.0 110.277 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.443 ' CG ' ' O ' ' A' ' 12' ' ' LEU . 5.5 pt20 -51.87 -29.06 18.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.266 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.539 ' CD1' HD12 ' A' ' 12' ' ' LEU . 7.9 mt -71.73 -53.08 21.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 109.342 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.4 ttt180 -49.06 -59.37 3.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.429 ' HG3' ' O ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -53.49 -37.72 62.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.404 ' HB2' ' O ' ' A' ' 15' ' ' GLN . 0.1 OUTLIER -68.46 -38.58 81.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.695 ' HB1' ' CG ' ' A' ' 37' ' ' TRP . . . -56.96 -41.34 78.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.627 ' HG2' ' CZ2' ' A' ' 37' ' ' TRP . 1.4 mt-10 -66.53 -39.42 88.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.32 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.418 ' N ' ' ND2' ' A' ' 22' ' ' ASN . 0.8 OUTLIER -74.72 -32.75 62.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.239 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.732 HG21 ' CG ' ' A' ' 33' ' ' ASN . 21.4 m -66.71 -23.18 66.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.418 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.475 ' O ' ' N ' ' A' ' 28' ' ' PRO . 0.0 OUTLIER -65.38 -62.96 1.22 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 110.975 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.32 -23.45 62.48 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.06 -25.67 25.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 110.008 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.494 ' C ' ' H ' ' A' ' 29' ' ' LEU . 2.6 t-20 -169.55 79.38 0.67 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.475 ' N ' ' O ' ' A' ' 24' ' ' TYR . 18.2 Cg_endo -74.99 20.78 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.514 1.797 . . . . 0.0 111.004 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.685 ' O ' HG21 ' A' ' 70' ' ' ILE . 13.0 mt -131.71 14.2 4.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.409 ' O ' ' HB2' ' A' ' 34' ' ' LEU . 1.0 OUTLIER -90.64 98.03 11.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.718 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . . . -69.77 -30.38 67.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -60.76 -54.59 43.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.252 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.732 ' CG ' HG21 ' A' ' 23' ' ' THR . 0.4 OUTLIER -71.24 -42.68 68.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.904 HD21 ' HB3' ' A' ' 66' ' ' GLU . 0.3 OUTLIER -51.05 -56.05 14.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.245 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 m -58.7 -34.58 71.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.401 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.437 ' CZ ' HD13 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -70.51 -26.16 63.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.113 . . . . 0.0 110.321 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.695 ' CG ' ' HB1' ' A' ' 20' ' ' ALA . 4.5 t90 -61.48 -26.73 68.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 107.98 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.599 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -83.66 -59.45 2.11 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.553 1.158 . . . . 0.0 110.961 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 38' ' ' GLY . . . -36.15 -46.07 0.94 Allowed Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.635 HG22 ' HB3' ' A' ' 13' ' ' PHE . 1.1 p -67.22 -49.61 70.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.511 0.771 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.497 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 12.1 mt -49.7 -44.16 47.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.0 mt -65.39 -38.34 89.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.494 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 8.0 mm-40 -63.53 -58.72 6.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.726 ' CD2' HG23 ' A' ' 10' ' ' ILE . 16.5 mt -62.03 -27.35 68.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.405 ' OG ' ' HE2' ' A' ' 56' ' ' MET . 7.2 m -61.8 -35.01 76.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.977 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.432 ' HG2' ' N ' ' A' ' 47' ' ' PHE . 0.6 OUTLIER -61.57 -37.71 84.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.292 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.615 ' CZ ' ' CE1' ' A' ' 48' ' ' HIS . 0.0 OUTLIER -80.24 -30.88 38.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 111.017 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.615 ' CE1' ' CZ ' ' A' ' 47' ' ' PHE . 4.7 m-70 -78.97 143.37 35.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.582 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.6 m -51.17 160.5 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.086 . . . . 0.0 110.037 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.569 ' HA ' ' HB3' ' A' ' 53' ' ' ALA . 0.1 OUTLIER -55.37 -48.02 77.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.1 p -44.56 -53.63 6.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 110.052 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -75.23 -38.34 60.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.569 ' HB3' ' HA ' ' A' ' 50' ' ' ILE . . . -46.61 -54.54 9.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.432 ' CD ' HG23 ' A' ' 50' ' ' ILE . 0.5 OUTLIER -50.68 -57.78 7.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -51.63 -49.25 62.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.405 ' HE2' ' OG ' ' A' ' 45' ' ' SER . 85.6 mtp -60.94 -38.92 87.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 111.003 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.857 HG21 ' HB2' ' A' ' 88' ' ' PHE . 8.9 mt -68.02 -55.51 16.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.404 ' O ' ' HB ' ' A' ' 61' ' ' ILE . 2.1 mm100 -49.13 -46.42 45.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.581 ' HG3' ' HZ2' ' A' ' 63' ' ' LYS . 2.7 tp10 -66.59 -39.19 88.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.94 -31.63 70.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.661 HD12 ' O ' ' A' ' 57' ' ' ILE . 0.9 OUTLIER -62.39 -49.69 82.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.15 . . . . 0.0 109.312 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.493 ' OG1' ' O ' ' A' ' 59' ' ' GLU . 27.6 p -53.99 -42.88 69.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.164 . . . . 0.0 110.376 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.581 ' HZ2' ' HG3' ' A' ' 59' ' ' GLU . 11.7 mmtm -49.49 -56.0 11.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.599 ' CE1' ' HA3' ' A' ' 38' ' ' GLY . 14.6 m-85 -57.65 -44.58 85.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -47.96 -53.92 14.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.275 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.904 ' HB3' HD21 ' A' ' 34' ' ' LEU . 2.6 tp10 -65.04 -35.19 80.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.269 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.754 ' HB2' ' HG ' ' A' ' 34' ' ' LEU . . . -64.95 -45.42 85.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.689 HD21 HG23 ' A' ' 78' ' ' VAL . 10.5 mt -60.09 -31.69 70.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.617 HD12 ' HA ' ' A' ' 66' ' ' GLU . 1.1 mt -64.24 -43.53 94.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.718 ' HB ' ' HB2' ' A' ' 31' ' ' ALA . 6.1 mt -64.04 -44.42 97.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -150.6 112.74 3.2 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -6.9 18.65 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.504 1.791 . . . . 0.0 110.973 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 75' ' ' ASP . 31.1 mttt -82.75 -5.72 59.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.48 ' HB3' ' HB3' ' A' ' 77' ' ' ALA . 8.9 tptp -65.23 75.21 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.341 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 73' ' ' LYS . 2.5 p30 -52.09 -33.78 40.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.442 ' HG3' ' CE3' ' A' ' 79' ' ' TRP . 37.4 tt0 -66.45 -47.87 71.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.48 ' HB3' ' HB3' ' A' ' 74' ' ' LYS . . . -52.36 -32.3 37.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.943 HG11 ' HB2' ' A' ' 111' ' ' GLN . 27.8 t -74.6 -53.45 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.488 ' HD1' ' HG ' ' A' ' 125' ' ' SER . 0.5 OUTLIER -58.32 -46.91 85.27 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.597 ' SG ' ' CZ ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -51.07 -51.38 53.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 108.302 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.559 HG21 ' CZ ' ' A' ' 108' ' ' PHE . 49.4 mt -51.99 -39.75 26.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -70.87 -39.67 64.59 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.485 1.116 . . . . 0.0 110.986 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -64.64 -32.25 73.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 0.795 . . . . 0.0 109.329 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.565 ' HB1' ' CD1' ' A' ' 61' ' ' ILE . . . -70.02 -55.6 9.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.498 ' CE1' HG12 ' A' ' 61' ' ' ILE . 12.0 m-85 -59.14 -41.94 89.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 111.017 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 55.4 m -57.46 -48.26 79.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.403 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.4 m -65.89 -52.24 51.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.036 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.857 ' HB2' HG21 ' A' ' 57' ' ' ILE . 53.6 t80 -51.46 -40.33 59.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.98 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.654 ' HB1' ' CD2' ' A' ' 102' ' ' PHE . . . -56.08 -49.74 72.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.402 ' O ' ' OH ' ' A' ' 140' ' ' TYR . 38.8 m-85 -58.52 -18.64 30.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 111.044 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.553 HD22 ' CG1' ' A' ' 50' ' ' ILE . 8.3 mt -92.02 -25.55 18.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.63 120.01 64.17 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 110.432 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.436 ' HA ' ' CE2' ' A' ' 140' ' ' TYR . 18.3 Cg_endo -75.0 -23.21 14.03 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.477 1.777 . . . . 0.0 110.988 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.66 89.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 93' ' ' PRO . 91.4 mt-10 -41.51 -47.31 3.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.4 m -52.62 -54.69 29.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.432 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -68.51 -50.18 54.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.319 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -52.69 -54.03 39.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.98 -53.09 61.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.451 ' CD2' ' C ' ' A' ' 100' ' ' HIS . 1.2 t60 -49.45 -45.64 46.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.583 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -68.86 -50.67 47.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.088 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.742 ' HD1' ' HB1' ' A' ' 132' ' ' ALA . 1.8 m-85 -52.83 -41.36 64.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.972 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.58 -20.91 59.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.538 HD23 ' HG2' ' A' ' 107' ' ' GLN . 0.1 OUTLIER -73.07 -46.66 50.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -58.7 -29.43 66.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 109.269 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.496 ' OG1' ' CG2' ' A' ' 129' ' ' THR . 20.3 m -61.77 -56.29 21.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 110.398 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.538 ' HG2' HD23 ' A' ' 104' ' ' LEU . 1.8 pt20 -54.66 -23.25 16.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.287 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.778 ' HD1' HG13 ' A' ' 78' ' ' VAL . 7.3 m-85 -83.3 -49.23 9.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 110.973 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.553 ' CE2' ' OG1' ' A' ' 129' ' ' THR . 20.5 m-85 -55.24 -20.1 10.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 111.007 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -73.9 -26.51 60.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.943 ' HB2' HG11 ' A' ' 78' ' ' VAL . 38.6 mt-30 -81.45 -42.95 19.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 110.283 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -50.76 -52.08 44.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.35 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.774 HG12 ' HB3' ' A' ' 122' ' ' TYR . 5.7 m -67.0 -37.53 79.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -45.32 -47.5 13.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -68.73 -40.43 79.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.312 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -157.29 90.01 2.47 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.297 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.443 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.3 Cg_endo -75.01 -3.15 13.5 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.479 1.778 . . . . 0.0 110.996 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.8 -11.99 52.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -68.41 116.81 9.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.332 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.407 HG23 ' H ' ' A' ' 120' ' ' THR . 37.7 p -56.52 -46.37 80.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.413 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . 0.456 ' CD2' ' H ' ' A' ' 121' ' ' HIS . 11.5 m-70 -51.42 -59.48 4.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.591 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.774 ' HB3' HG12 ' A' ' 113' ' ' VAL . 10.9 m-30 -51.92 -33.61 37.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.924 ' O ' HD22 ' A' ' 123' ' ' LEU . 0.0 OUTLIER -65.99 -49.24 68.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.699 ' N ' HD13 ' A' ' 123' ' ' LEU . 13.6 tptt -63.62 -46.03 87.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.249 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . 0.488 ' HG ' ' HD1' ' A' ' 79' ' ' TRP . 0.1 OUTLIER -57.24 -45.12 84.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 110.014 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 31.2 tp -72.13 -39.51 68.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.253 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.59 -46.93 83.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 110.359 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 6.0 mmm -63.74 -36.12 82.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.553 ' OG1' ' CE2' ' A' ' 109' ' ' PHE . 0.9 OUTLIER -59.78 -23.82 63.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.425 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -41.95 -59.06 1.84 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.095 . . . . 0.0 109.358 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.585 ' O ' HD12 ' A' ' 135' ' ' LEU . 1.8 mptm? -95.76 47.63 1.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 109.273 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.742 ' HB1' ' HD1' ' A' ' 102' ' ' PHE . . . -63.28 -49.93 77.19 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' PRO . . . . . 0.709 ' HD3' ' HB3' ' A' ' 132' ' ' ALA . 18.3 Cg_endo -75.02 -27.28 10.11 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.501 1.79 . . . . 0.0 110.989 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -78.37 -48.14 16.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.15 . . . . 0.0 110.327 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.661 ' O ' ' HB2' ' A' ' 139' ' ' ALA . 7.1 mt -48.45 -38.1 18.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.264 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' HIS . . . . . 0.602 ' CD2' ' CE1' ' A' ' 140' ' ' TYR . 31.2 t-80 -69.35 -44.34 71.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.618 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.536 ' O ' ' CB ' ' A' ' 141' ' ' LYS . . . -61.79 -51.8 66.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.25 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.493 ' CG ' ' HA ' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -68.98 -27.46 65.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 110.312 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.661 ' HB2' ' O ' ' A' ' 135' ' ' LEU . . . -69.1 -49.88 53.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' TYR . . . . . 0.602 ' CE1' ' CD2' ' A' ' 136' ' ' HIS . 5.8 m-85 -80.14 -33.04 38.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 110.945 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . 0.536 ' CB ' ' O ' ' A' ' 137' ' ' ALA . 0.0 OUTLIER -67.61 -48.04 67.94 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.113 . . . . 0.0 110.315 179.995 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.8 ttm180 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 59.0 mt -60.53 -43.5 94.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.494 HD23 ' N ' ' A' ' 11' ' ' LEU . 5.2 mt -55.46 -44.27 76.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.451 1.094 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.563 HD12 ' CD1' ' A' ' 16' ' ' ILE . 0.1 OUTLIER -55.26 -52.28 63.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.784 ' HB2' HD21 ' A' ' 44' ' ' LEU . 18.6 m-85 -64.02 -36.18 83.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.127 . . . . 0.0 110.996 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -56.01 -60.0 4.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.329 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.452 ' CG ' ' O ' ' A' ' 12' ' ' LEU . 8.2 pt20 -51.22 -31.33 20.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 110.312 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.563 ' CD1' HD12 ' A' ' 12' ' ' LEU . 22.4 mt -71.7 -51.68 30.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 -48.72 -58.2 5.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.315 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.451 ' NE2' ' HA ' ' A' ' 15' ' ' GLN . 0.1 OUTLIER -59.5 -39.31 83.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.268 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.466 ' O ' ' CB ' ' A' ' 23' ' ' THR . 0.3 OUTLIER -65.6 -40.74 93.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.983 ' HB1' ' HB2' ' A' ' 37' ' ' TRP . . . -73.56 -56.83 4.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.342 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.555 ' HG3' ' CZ2' ' A' ' 37' ' ' TRP . 8.8 tt0 -50.61 -50.15 54.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.436 1.085 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.6 t30 -64.12 -45.97 86.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.696 HG21 ' CG ' ' A' ' 33' ' ' ASN . 2.2 m -56.29 -24.47 43.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.118 . . . . 0.0 110.393 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.451 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 7.6 t80 -52.51 -60.04 3.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.979 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.64 -28.4 68.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.78 -31.41 68.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.016 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 23' ' ' THR . 1.2 t-20 -168.95 87.8 0.63 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 109.335 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 0.2 9.21 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.453 1.765 . . . . 0.0 110.975 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.79 ' O ' HG21 ' A' ' 70' ' ' ILE . 11.3 mt -93.47 -20.15 20.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.494 ' O ' ' CB ' ' A' ' 34' ' ' LEU . 11.4 t0 -64.84 99.62 0.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.748 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . . . -71.6 -28.14 63.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.76 -55.83 10.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.696 ' CG ' HG21 ' A' ' 23' ' ' THR . 25.3 t-20 -68.84 -34.58 75.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.957 HD21 ' HB3' ' A' ' 66' ' ' GLU . 0.2 OUTLIER -62.66 -56.29 19.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.1 m -58.9 -45.59 89.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.394 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -56.16 -42.66 77.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.281 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.983 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . 12.8 t90 -48.64 -26.58 2.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 107.991 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.497 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -83.95 -59.47 2.08 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.462 1.101 . . . . 0.0 110.997 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 38' ' ' GLY . . . -36.56 -45.84 1.03 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.5 HG22 ' HB3' ' A' ' 13' ' ' PHE . 0.4 OUTLIER -67.41 -48.62 76.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.551 0.795 . . . . 0.0 109.287 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.486 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 16.5 mt -48.21 -44.71 33.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 15.3 mt -65.56 -37.35 86.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.117 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -65.79 -58.91 4.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 110.293 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.784 HD21 ' HB2' ' A' ' 13' ' ' PHE . 67.3 mt -61.86 -27.03 68.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.0 -39.17 71.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.125 . . . . 0.0 110.003 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.509 ' HG2' ' N ' ' A' ' 47' ' ' PHE . 1.1 pt20 -67.9 -32.36 72.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.34 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.509 ' N ' ' HG2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -80.56 -22.11 41.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 111.053 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.455 ' CE1' ' CE2' ' A' ' 47' ' ' PHE . 2.8 m-70 -80.01 -101.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.579 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 53.9 p -179.15 150.38 0.45 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.04 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.88 ' CG1' HD22 ' A' ' 91' ' ' LEU . 0.1 OUTLIER -45.4 -35.22 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 42.9 t -55.22 -56.73 16.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.967 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -81.69 -37.54 27.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.64 ' HB3' ' HA ' ' A' ' 50' ' ' ILE . . . -45.47 -52.16 10.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.469 ' CD ' HG23 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -49.49 -57.52 6.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.581 1.175 . . . . 0.0 109.274 -179.929 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -60.77 -45.04 95.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.325 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.436 ' HE3' ' O ' ' A' ' 41' ' ' LEU . 1.2 mmm -59.72 -34.05 72.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.974 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.819 HG21 ' HB2' ' A' ' 88' ' ' PHE . 26.8 mt -72.61 -47.0 52.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 109.289 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.476 ' O ' HG23 ' A' ' 62' ' ' THR . 2.8 mt-30 -48.38 -54.04 15.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.315 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.442 ' CG ' HD13 ' A' ' 41' ' ' LEU . 3.8 pt-20 -65.73 -35.57 81.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.309 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.425 ' N ' ' HG2' ' A' ' 59' ' ' GLU . . . -59.57 -29.14 67.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.565 HG12 ' CE1' ' A' ' 85' ' ' TYR . 0.5 OUTLIER -76.26 -57.71 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.476 HG23 ' O ' ' A' ' 58' ' ' GLN . 58.5 p -49.89 -23.84 2.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.422 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.557 ' HE3' ' CH2' ' A' ' 37' ' ' TRP . 0.1 OUTLIER -73.13 -51.06 19.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.497 ' CE1' ' HA3' ' A' ' 38' ' ' GLY . 17.1 m-85 -58.67 -42.36 88.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.58 -55.82 10.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.28 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.957 ' HB3' HD21 ' A' ' 34' ' ' LEU . 4.9 tt0 -60.67 -40.89 93.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.298 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.949 ' HB2' ' HG ' ' A' ' 34' ' ' LEU . . . -62.47 -37.88 87.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.611 HD21 HG23 ' A' ' 78' ' ' VAL . 5.6 mt -66.03 -28.68 69.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.439 HD12 ' HA ' ' A' ' 66' ' ' GLU . 0.6 OUTLIER -69.43 -41.62 76.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.79 HG21 ' O ' ' A' ' 29' ' ' LEU . 4.5 mt -64.8 -39.42 85.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -150.03 108.24 3.23 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -11.07 21.4 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.48 1.779 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.3 ptmm? -89.03 2.97 53.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.7 tptp -74.0 84.26 1.76 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.448 ' N ' ' OD1' ' A' ' 75' ' ' ASP . 0.3 OUTLIER -53.95 -38.06 64.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.482 ' HG3' ' CE3' ' A' ' 79' ' ' TRP . 1.7 tp10 -57.69 -51.82 67.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.27 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.443 ' CB ' ' HG ' ' A' ' 68' ' ' LEU . . . -53.08 -32.9 49.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.328 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.986 HG11 ' HB2' ' A' ' 111' ' ' GLN . 28.1 t -74.69 -53.24 17.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.482 ' CE3' ' HG3' ' A' ' 76' ' ' GLU . 0.4 OUTLIER -59.01 -45.5 90.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 107.998 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.494 ' HB3' ' CZ ' ' A' ' 64' ' ' PHE . 0.6 OUTLIER -50.43 -54.12 24.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 0.0 108.325 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.506 ' CD1' HD12 ' A' ' 68' ' ' LEU . 77.1 mt -51.88 -43.3 35.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -68.15 -39.73 88.35 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.519 1.137 . . . . 0.0 111.028 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 52.1 t-20 -64.5 -36.02 82.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.423 0.72 . . . . 0.0 109.309 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.581 ' HB1' HG23 ' A' ' 57' ' ' ILE . . . -68.89 -55.38 11.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.565 ' CE1' HG12 ' A' ' 61' ' ' ILE . 16.6 m-30 -54.25 -47.03 72.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 7.7 m -54.69 -53.07 59.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 110.4 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.403 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 11.3 t -62.36 -52.93 61.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.983 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.819 ' HB2' HG21 ' A' ' 57' ' ' ILE . 35.9 t80 -51.76 -33.3 34.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.661 ' HB1' ' CE2' ' A' ' 102' ' ' PHE . . . -64.1 -50.17 69.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.412 ' O ' ' OH ' ' A' ' 140' ' ' TYR . 32.3 m-85 -54.14 -19.0 4.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.987 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.88 HD22 ' CG1' ' A' ' 50' ' ' ILE . 0.9 OUTLIER -94.53 -21.29 18.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.321 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.412 ' N ' ' O ' ' A' ' 89' ' ' ALA . 0.9 OUTLIER -96.89 116.21 65.99 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.45 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.441 ' O ' ' N ' ' A' ' 95' ' ' GLU . 18.4 Cg_endo -74.96 -24.38 12.98 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.506 1.793 . . . . 0.0 111.042 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -58.86 86.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 93' ' ' PRO . 45.4 mt-10 -40.21 -46.84 2.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 110.306 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.496 HG23 ' N ' ' A' ' 97' ' ' GLU . 14.8 t -52.7 -53.26 50.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 110.386 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.496 ' N ' HG23 ' A' ' 96' ' ' THR . 6.4 mt-10 -70.61 -50.38 37.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 110.284 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -53.09 -54.41 35.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.2 ttmm -59.93 -47.2 86.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.511 ' CD2' ' C ' ' A' ' 100' ' ' HIS . 0.4 OUTLIER -53.01 -40.72 64.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.597 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.401 ' O ' ' N ' ' A' ' 104' ' ' LEU . 0.8 OUTLIER -73.2 -53.95 9.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.815 ' HD1' ' HB1' ' A' ' 132' ' ' ALA . 5.6 m-85 -50.95 -40.21 56.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.4 ' O ' ' HB ' ' A' ' 106' ' ' THR . 1.5 m-20 -74.76 -19.39 60.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.542 HD22 ' HE2' ' A' ' 108' ' ' PHE . 0.3 OUTLIER -77.76 -53.27 7.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -51.53 -25.96 7.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.528 ' OG1' ' CG2' ' A' ' 129' ' ' THR . 2.8 m -62.52 -55.04 31.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.434 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -54.95 -25.01 26.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.128 . . . . 0.0 110.311 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.797 ' HD1' HG13 ' A' ' 78' ' ' VAL . 20.3 m-85 -82.33 -46.36 13.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.998 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.5 ' HB3' HD13 ' A' ' 126' ' ' LEU . 7.7 m-85 -53.99 -28.31 37.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.951 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -71.87 -24.67 61.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.986 ' HB2' HG11 ' A' ' 78' ' ' VAL . 33.6 mt-30 -81.0 -36.0 31.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 110.333 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.43 -52.45 64.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.539 HG12 ' HB3' ' A' ' 122' ' ' TYR . 6.1 m -65.49 -37.23 79.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -45.3 -52.7 9.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -65.44 -43.9 89.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.265 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -153.64 91.01 3.31 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.29 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.473 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.1 Cg_endo -75.07 -4.46 15.42 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.47 1.774 . . . . 0.0 110.97 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.58 -12.2 52.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.31 115.16 4.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 72.4 p -57.64 -38.29 74.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.414 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . 0.475 ' CD2' ' H ' ' A' ' 121' ' ' HIS . 8.6 m-70 -58.21 -59.55 5.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.594 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.539 ' HB3' HG12 ' A' ' 113' ' ' VAL . 11.8 m-30 -53.18 -37.32 61.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.989 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.942 ' O ' HD22 ' A' ' 123' ' ' LEU . 0.0 OUTLIER -60.3 -48.1 83.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.682 ' N ' HD13 ' A' ' 123' ' ' LEU . 0.2 OUTLIER -65.74 -39.29 90.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . 0.422 ' O ' ' OG1' ' A' ' 129' ' ' THR . 0.7 OUTLIER -60.01 -54.49 45.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.962 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.5 HD13 ' HB3' ' A' ' 109' ' ' PHE . 21.0 tp -65.22 -46.43 80.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -50.44 -47.05 56.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.295 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 2.9 mtp -68.38 -28.51 67.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.95 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.528 ' CG2' ' OG1' ' A' ' 106' ' ' THR . 25.8 m -61.37 -22.5 65.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.362 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -51.28 -42.77 61.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.431 1.082 . . . . 0.0 109.303 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.444 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 0.1 OUTLIER -113.86 41.39 2.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.815 ' HB1' ' HD1' ' A' ' 102' ' ' PHE . . . -59.93 -53.56 64.08 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' PRO . . . . . 0.79 ' HD3' ' HB3' ' A' ' 132' ' ' ALA . 18.3 Cg_endo -74.96 -21.33 16.06 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.488 1.783 . . . . 0.0 111.013 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 64.7 tp60 -80.46 -49.43 11.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.28 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.634 ' O ' ' HB2' ' A' ' 139' ' ' ALA . 6.9 mt -49.77 -42.92 47.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' HIS . . . . . 0.59 ' HB2' ' CE2' ' A' ' 102' ' ' PHE . 6.7 t-80 -66.63 -42.99 85.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 109.633 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.439 ' O ' ' HB2' ' A' ' 141' ' ' LYS . . . -62.05 -53.58 53.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.457 ' CG ' ' HA ' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -67.77 -37.02 81.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.303 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.634 ' HB2' ' O ' ' A' ' 135' ' ' LEU . . . -57.47 -36.81 71.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.423 1.077 . . . . 0.0 109.286 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' TYR . . . . . 0.473 ' CD1' ' O ' ' A' ' 136' ' ' HIS . 3.9 m-85 -88.25 -42.57 12.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 111.014 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . 0.439 ' HB2' ' O ' ' A' ' 137' ' ' ALA . 0.0 OUTLIER -62.44 -47.9 82.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 110.323 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.463 ' HG2' ' CE2' ' A' ' 13' ' ' PHE . 13.7 ttm180 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.764 HG23 ' CD2' ' A' ' 44' ' ' LEU . 90.5 mt -58.97 -45.33 92.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.2 mt -57.12 -34.72 68.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.127 . . . . 0.0 109.261 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.742 ' CD1' HD11 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -66.67 -49.09 67.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.268 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.687 ' HA ' HD12 ' A' ' 16' ' ' ILE . 11.4 m-85 -63.89 -34.67 78.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -55.74 -51.94 65.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 110.328 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.523 ' HG3' ' N ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -63.17 -28.06 69.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.302 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.742 HD11 ' CD1' ' A' ' 12' ' ' LEU . 72.6 mt -71.5 -53.44 20.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.373 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.563 ' HE ' HD21 ' A' ' 41' ' ' LEU . 3.4 ttt180 -55.14 -35.62 64.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 110.326 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.411 ' O ' ' HB3' ' A' ' 22' ' ' ASN . 6.2 tt0 -69.36 -53.89 17.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.297 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.492 ' O ' ' OD1' ' A' ' 22' ' ' ASN . 0.2 OUTLIER -65.01 -31.75 73.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.565 ' HB1' ' HB2' ' A' ' 37' ' ' TRP . . . -73.61 -46.12 48.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.585 ' HG3' ' CZ2' ' A' ' 37' ' ' TRP . 12.0 tt0 -66.67 -46.26 76.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.3 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.492 ' OD1' ' O ' ' A' ' 19' ' ' ASP . 0.2 OUTLIER -64.97 -42.62 94.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.691 HG21 ' CG ' ' A' ' 33' ' ' ASN . 2.0 m -55.99 -25.06 42.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.425 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -53.05 -60.01 3.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 110.955 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.26 -27.73 69.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.58 -36.16 73.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.049 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -169.47 89.98 0.57 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.329 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 0.63 8.65 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.486 1.782 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.811 ' O ' HG21 ' A' ' 70' ' ' ILE . 10.3 mt -93.54 -19.65 21.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.342 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.41 ' O ' ' CB ' ' A' ' 34' ' ' LEU . 0.5 OUTLIER -65.49 101.85 0.64 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.746 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . . . -72.88 -22.39 60.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -69.85 -56.07 8.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.691 ' CG ' HG21 ' A' ' 23' ' ' THR . 24.1 t-20 -70.81 -35.89 72.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.947 ' HG ' ' HB2' ' A' ' 67' ' ' ALA . 0.7 OUTLIER -61.33 -51.65 67.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.0 m -63.56 -33.06 74.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.402 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.46 -41.84 72.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.286 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.585 ' CZ2' ' HG3' ' A' ' 21' ' ' GLU . 12.0 t90 -50.81 -27.34 7.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 108.024 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.567 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -84.53 -57.18 2.37 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -37.78 -45.77 1.57 Allowed Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.566 HG21 ' HB ' ' A' ' 16' ' ' ILE . 0.5 OUTLIER -67.35 -48.15 78.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.488 0.758 . . . . 0.0 109.279 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.563 HD21 ' HE ' ' A' ' 17' ' ' ARG . 13.5 mt -48.57 -44.16 36.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.468 HD13 ' OD1' ' A' ' 83' ' ' ASN . 14.9 mt -65.5 -37.15 85.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.422 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 18.5 mm-40 -65.55 -58.88 4.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.323 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.764 ' CD2' HG23 ' A' ' 10' ' ' ILE . 20.5 mt -62.04 -26.89 68.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.86 -37.0 63.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.98 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.436 ' HG2' ' N ' ' A' ' 47' ' ' PHE . 5.0 pt20 -67.87 -35.88 79.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.714 ' CE2' ' CD2' ' A' ' 48' ' ' HIS . 0.0 OUTLIER -80.62 -34.94 34.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.977 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.714 ' CD2' ' CE2' ' A' ' 47' ' ' PHE . 4.8 m-70 -78.73 142.77 36.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.591 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.1 m -41.27 152.85 0.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.997 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.982 ' CG1' HD22 ' A' ' 91' ' ' LEU . 0.4 OUTLIER -55.53 -51.16 60.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.462 ' N ' HG22 ' A' ' 50' ' ' ILE . 14.0 t -46.55 -56.36 6.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.994 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.412 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 1.1 m-20 -67.58 -33.17 74.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.628 ' O ' HD12 ' A' ' 57' ' ' ILE . . . -59.2 -38.05 78.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.4 mtpt -65.53 -58.37 5.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.317 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.412 ' HG2' ' O ' ' A' ' 52' ' ' ASP . 6.0 pt20 -59.4 -35.74 74.53 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.427 1.079 . . . . 0.0 110.319 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.421 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 79.4 mtp -68.41 -34.03 75.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 110.991 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.649 HG23 ' HB1' ' A' ' 84' ' ' ALA . 17.4 mt -72.96 -36.53 51.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.266 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -56.39 -54.63 43.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.342 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.766 ' HG3' ' HZ1' ' A' ' 63' ' ' LYS . 2.9 pt-20 -60.96 -33.4 73.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.274 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.48 ' N ' ' HG2' ' A' ' 59' ' ' GLU . . . -60.18 -40.65 90.71 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -65.54 -55.37 20.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 59' ' ' GLU . 61.7 p -49.63 -29.07 6.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.377 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.766 ' HZ1' ' HG3' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -69.42 -49.61 53.54 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.567 ' CE1' ' HA3' ' A' ' 38' ' ' GLY . 19.0 m-85 -60.4 -39.09 86.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 111.023 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -48.77 -55.66 10.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 110.281 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.625 ' HB3' HD21 ' A' ' 34' ' ' LEU . 0.8 OUTLIER -65.14 -39.9 93.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.312 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.947 ' HB2' ' HG ' ' A' ' 34' ' ' LEU . . . -60.06 -34.67 73.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.674 HD21 HG23 ' A' ' 78' ' ' VAL . 5.8 mt -69.0 -30.93 69.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.426 HD12 ' HA ' ' A' ' 66' ' ' GLU . 0.4 OUTLIER -66.82 -31.42 72.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.811 HG21 ' O ' ' A' ' 29' ' ' LEU . 4.5 mt -75.56 -38.13 38.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -152.1 107.31 2.82 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.25 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -16.84 19.98 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.467 1.772 . . . . 0.0 111.065 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.9 pttt -82.88 1.36 39.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.4 75.85 0.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.479 ' HB3' ' CG ' ' A' ' 115' ' ' GLU . 0.0 OUTLIER -51.39 -25.52 6.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.505 ' HG3' ' CE3' ' A' ' 79' ' ' TRP . 8.9 tt0 -70.02 -52.92 20.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.325 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.29 -31.94 35.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.354 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.99 HG11 ' HB2' ' A' ' 111' ' ' GLN . 33.2 t -74.72 -53.51 16.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.505 ' CE3' ' HG3' ' A' ' 76' ' ' GLU . 0.3 OUTLIER -58.19 -46.54 85.6 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.465 ' HB3' ' CZ ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -50.41 -52.97 32.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 108.29 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.628 HG21 ' CZ ' ' A' ' 108' ' ' PHE . 57.7 mt -51.98 -40.38 28.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -70.85 -40.94 63.52 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.48 1.113 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.468 ' OD1' HD13 ' A' ' 42' ' ' LEU . 5.3 t-20 -64.6 -32.88 74.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 0.793 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.649 ' HB1' HG23 ' A' ' 57' ' ' ILE . . . -69.5 -55.59 9.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.72 ' CE2' HD13 ' A' ' 104' ' ' LEU . 8.0 m-85 -59.98 -43.02 95.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 38.6 m -54.8 -46.19 74.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 110.378 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.406 ' O ' ' HB2' ' A' ' 90' ' ' PHE . 4.8 m -67.09 -50.15 62.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.987 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.436 ' HB2' HG21 ' A' ' 57' ' ' ILE . 2.7 t80 -52.57 -38.23 59.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.652 ' HB1' ' CE2' ' A' ' 102' ' ' PHE . . . -57.98 -47.86 81.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.406 ' HB2' ' O ' ' A' ' 87' ' ' SER . 35.1 m-85 -59.78 -20.78 58.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.982 HD22 ' CG1' ' A' ' 50' ' ' ILE . 19.9 mt -94.28 -5.75 46.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -97.24 109.24 48.78 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.399 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.59 ' HA ' ' CE2' ' A' ' 140' ' ' TYR . 18.2 Cg_endo -75.01 -16.93 19.92 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.53 1.805 . . . . 0.0 111.005 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.506 ' O ' ' CG ' ' A' ' 95' ' ' GLU . 13.2 t70 -61.18 -126.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.342 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.506 ' CG ' ' O ' ' A' ' 94' ' ' ASP . 2.4 mt-10 -171.71 -55.88 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 110.329 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.2 t -56.34 -36.8 69.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.113 . . . . 0.0 110.401 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -76.03 -39.35 55.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.271 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -69.44 -55.34 10.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.47 -51.38 55.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.42 ' O ' ' HB2' ' A' ' 104' ' ' LEU . 3.5 t60 -55.7 -49.47 72.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.608 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -58.23 -57.65 11.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.869 ' CD1' ' HB1' ' A' ' 132' ' ' ALA . 13.9 m-85 -50.32 -40.48 48.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 110.955 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.88 -25.9 59.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.72 HD13 ' CE2' ' A' ' 85' ' ' TYR . 0.0 OUTLIER -73.65 -53.02 11.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.302 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -58.89 -23.92 61.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.519 ' OG1' ' CG2' ' A' ' 129' ' ' THR . 3.7 m -66.71 -55.24 15.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 110.415 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.403 ' CG ' ' O ' ' A' ' 104' ' ' LEU . 2.2 pt20 -55.49 -23.48 26.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.868 ' HD1' HG13 ' A' ' 78' ' ' VAL . 17.6 m-85 -82.73 -46.83 12.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.586 ' CE2' ' OG1' ' A' ' 129' ' ' THR . 9.6 m-85 -54.27 -25.34 22.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.157 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.9 -28.18 61.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.99 ' HB2' HG11 ' A' ' 78' ' ' VAL . 35.8 mt-30 -81.67 -33.6 31.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 110.274 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.81 -53.69 54.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.615 HG12 ' HB3' ' A' ' 122' ' ' TYR . 8.1 m -64.61 -37.72 80.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.05 -52.49 8.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.479 ' CG ' ' HB3' ' A' ' 75' ' ' ASP . 5.9 mm-40 -62.76 -40.19 96.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 110.301 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -161.31 92.17 1.47 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.243 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.478 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.4 Cg_endo -75.0 -6.14 17.68 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.531 1.806 . . . . 0.0 111.028 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -85.98 5.88 31.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -83.02 117.75 23.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 81.0 p -57.85 -36.69 72.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.349 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . 0.422 ' CD2' ' H ' ' A' ' 121' ' ' HIS . 9.3 m-70 -62.41 -59.53 4.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.113 . . . . 0.0 109.567 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.615 ' HB3' HG12 ' A' ' 113' ' ' VAL . 8.6 m-30 -54.87 -33.14 61.57 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.983 ' O ' HD22 ' A' ' 123' ' ' LEU . 0.0 OUTLIER -63.92 -44.15 93.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.635 ' N ' HD13 ' A' ' 123' ' ' LEU . 0.5 OUTLIER -70.72 -40.49 72.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . 0.57 ' HB3' ' CE1' ' A' ' 109' ' ' PHE . 1.0 OUTLIER -58.16 -55.47 34.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 110.036 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 19.9 tp -66.3 -42.05 88.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.323 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.431 ' CB ' ' O ' ' A' ' 123' ' ' LEU . 1.1 tp10 -57.44 -47.68 81.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.239 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 3.1 mtp -67.0 -29.13 68.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 110.977 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.586 ' OG1' ' CE2' ' A' ' 109' ' ' PHE . 89.4 m -61.15 -18.49 58.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.406 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -51.48 -62.9 1.34 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.452 ' O ' HD12 ' A' ' 135' ' ' LEU . 1.6 mtmt -91.03 46.85 1.35 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.869 ' HB1' ' CD1' ' A' ' 102' ' ' PHE . . . -63.95 -48.33 78.54 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' PRO . . . . . 0.653 ' HD3' ' HB3' ' A' ' 132' ' ' ALA . 18.3 Cg_endo -74.97 -25.88 11.5 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.521 1.8 . . . . 0.0 111.049 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 35.0 mm-40 -80.52 -47.37 14.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.259 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.733 ' O ' ' HB2' ' A' ' 139' ' ' ALA . 10.9 mt -49.6 -40.18 37.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' HIS . . . . . 0.563 ' HB2' ' CE2' ' A' ' 102' ' ' PHE . 43.8 t-80 -66.71 -44.31 81.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.593 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.533 ' O ' ' CB ' ' A' ' 141' ' ' LYS . . . -61.89 -52.97 61.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.504 ' O ' ' CG ' ' A' ' 142' ' ' GLN . 0.0 OUTLIER -69.3 -26.69 64.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.26 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.733 ' HB2' ' O ' ' A' ' 135' ' ' LEU . . . -62.09 -49.78 74.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' TYR . . . . . 0.59 ' CE2' ' HA ' ' A' ' 93' ' ' PRO . 6.7 m-85 -87.35 -40.81 14.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . 0.533 ' CB ' ' O ' ' A' ' 137' ' ' ALA . 1.3 ttpp -55.2 -47.56 75.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . 0.504 ' CG ' ' O ' ' A' ' 138' ' ' GLU . 7.1 pt20 . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.137 . . . . 0.0 110.296 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.0 ttm180 . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.668 HG23 ' CD2' ' A' ' 44' ' ' LEU . 25.1 mt -64.96 -34.75 72.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.409 HD23 ' N ' ' A' ' 11' ' ' LEU . 6.8 mt -68.05 -38.16 82.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.649 ' CD1' HD11 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -61.32 -48.84 79.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.334 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.598 ' HD1' HG23 ' A' ' 40' ' ' VAL . 14.2 m-85 -63.99 -36.47 84.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.479 ' CG ' ' O ' ' A' ' 10' ' ' ILE . 2.3 mm-40 -57.45 -55.61 32.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 110.285 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.452 ' HG3' ' N ' ' A' ' 16' ' ' ILE . 8.6 pt20 -56.74 -29.8 62.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.32 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.649 HD11 ' CD1' ' A' ' 12' ' ' LEU . 50.6 mt -71.4 -54.79 16.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.342 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 21' ' ' GLU . 4.4 ttt180 -56.46 -51.79 67.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 110.317 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.433 ' O ' ' ND2' ' A' ' 22' ' ' ASN . 9.3 tt0 -49.2 -48.52 45.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.307 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.9 -54.49 11.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.802 ' HB1' ' HB2' ' A' ' 37' ' ' TRP . . . -49.6 -36.82 25.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.549 ' HG3' ' CZ2' ' A' ' 37' ' ' TRP . 3.1 tt0 -66.38 -40.6 89.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.433 ' ND2' ' O ' ' A' ' 18' ' ' GLN . 1.5 m120 -73.38 -25.96 60.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.851 HG22 ' OD2' ' A' ' 30' ' ' ASP . 46.3 m -64.75 -22.89 67.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.383 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.487 ' CE1' HD21 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -63.05 -63.7 1.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 111.019 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -23.39 63.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.86 -30.04 35.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 0.0 110.024 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.425 ' O ' ' CG ' ' A' ' 30' ' ' ASP . 0.8 OUTLIER -169.78 94.4 0.51 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -7.88 19.59 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.495 1.787 . . . . 0.0 111.002 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.592 ' O ' HG21 ' A' ' 70' ' ' ILE . 12.3 mt -91.95 3.1 55.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.851 ' OD2' HG22 ' A' ' 23' ' ' THR . 38.1 p-10 -81.72 98.4 8.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.742 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . . . -75.95 -51.9 11.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.438 ' HA ' ' CE ' ' A' ' 74' ' ' LYS . 26.2 t70 -47.89 -56.28 7.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.515 ' CG ' HG21 ' A' ' 23' ' ' THR . 3.9 m120 -59.57 -35.67 74.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.701 ' HB3' ' HB2' ' A' ' 67' ' ' ALA . 0.9 OUTLIER -60.27 -49.32 78.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 39.4 m -58.38 -37.85 76.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.38 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -70.47 -47.12 62.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.315 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.802 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . 16.3 t90 -54.23 -26.93 31.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 108.018 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.53 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -86.82 -56.01 2.3 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.521 1.138 . . . . 0.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -46.33 -39.92 10.29 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.598 HG23 ' HD1' ' A' ' 13' ' ' PHE . 3.8 p -67.41 -48.65 76.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.51 0.771 . . . . 0.0 109.268 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.84 HD22 ' HG2' ' A' ' 56' ' ' MET . 20.6 mt -48.75 -49.03 40.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.446 HD13 ' OD1' ' A' ' 83' ' ' ASN . 18.6 mt -58.03 -45.58 86.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 109.262 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.568 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 7.5 mm-40 -55.45 -53.91 50.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 110.295 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.668 ' CD2' HG23 ' A' ' 10' ' ' ILE . 34.2 mt -61.66 -38.18 86.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.37 -15.11 22.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.97 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.596 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 3.3 tt0 -67.94 -8.23 35.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.262 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.596 ' CZ ' ' HB3' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -158.21 66.38 0.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 110.974 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.635 ' O ' ' C ' ' A' ' 49' ' ' SER . 28.3 m-70 -157.12 122.17 4.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.627 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.635 ' C ' ' O ' ' A' ' 48' ' ' HIS . 20.2 m -17.11 126.48 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.021 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.93 ' CG1' HD22 ' A' ' 91' ' ' LEU . 0.3 OUTLIER -46.64 -45.84 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 41.6 t -47.08 -50.65 19.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.034 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -77.33 -40.13 45.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.573 ' HB2' ' O ' ' A' ' 48' ' ' HIS . . . -46.77 -54.6 9.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.437 ' CD ' HG23 ' A' ' 50' ' ' ILE . 0.5 OUTLIER -51.69 -58.21 7.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.4 ' HA ' ' NE2' ' A' ' 55' ' ' GLN . 23.2 mm-40 -50.6 -44.82 57.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.341 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.84 ' HG2' HD22 ' A' ' 41' ' ' LEU . 2.2 ttp -64.74 -34.22 77.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 111.018 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.789 HG21 ' HB2' ' A' ' 88' ' ' PHE . 40.2 mt -73.06 -52.5 21.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -46.89 -55.05 8.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.314 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.514 ' HG3' ' HZ1' ' A' ' 63' ' ' LYS . 3.1 pt-20 -59.15 -37.53 77.54 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.512 1.133 . . . . 0.0 110.281 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.447 ' N ' ' HG2' ' A' ' 59' ' ' GLU . . . -59.9 -28.53 67.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.557 HG12 ' CE1' ' A' ' 85' ' ' TYR . 1.1 mt -78.16 -54.5 12.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 42.3 p -48.99 -29.27 4.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.39 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.616 ' O ' HD22 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -73.12 -47.48 43.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.27 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.582 ' CZ ' ' HB3' ' A' ' 80' ' ' CYS . 21.9 m-85 -56.37 -38.46 71.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 110.986 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -55.96 -51.13 68.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.323 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.72 ' HA ' HD12 ' A' ' 69' ' ' LEU . 1.2 tp10 -61.43 -37.96 85.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.269 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.701 ' HB2' ' HB3' ' A' ' 34' ' ' LEU . . . -62.35 -42.5 99.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.736 HD21 HG23 ' A' ' 78' ' ' VAL . 19.7 mt -62.88 -29.26 70.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.72 HD12 ' HA ' ' A' ' 66' ' ' GLU . 67.4 mt -68.87 -42.12 77.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.742 ' HB ' ' HB2' ' A' ' 31' ' ' ALA . 6.0 mt -65.15 -42.77 95.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.345 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -154.52 116.14 2.49 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 -5.5 16.86 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.488 1.783 . . . . 0.0 110.984 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 75' ' ' ASP . 9.6 mmmm -82.8 -4.28 57.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.438 ' CE ' ' HA ' ' A' ' 32' ' ' ASP . 3.9 tptp -68.08 70.46 0.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.256 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.6 OUTLIER -52.09 -36.32 50.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.511 ' HG3' ' CE3' ' A' ' 79' ' ' TRP . 30.8 tt0 -62.22 -49.32 76.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.147 . . . . 0.0 110.334 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.47 -32.24 38.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.361 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.96 HG11 ' HB2' ' A' ' 111' ' ' GLN . 25.0 t -74.46 -53.26 17.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.349 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.511 ' CE3' ' HG3' ' A' ' 76' ' ' GLU . 0.4 OUTLIER -58.99 -47.35 85.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 107.969 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.582 ' HB3' ' CZ ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -51.01 -50.42 58.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 108.291 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.472 HG23 ' CZ ' ' A' ' 85' ' ' TYR . 45.6 mt -51.9 -45.4 39.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -64.83 -40.82 97.6 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.488 1.117 . . . . 0.0 111.026 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.446 ' OD1' HD13 ' A' ' 42' ' ' LEU . 14.7 t-20 -64.4 -37.0 86.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 0.757 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.517 ' HB1' HG23 ' A' ' 57' ' ' ILE . . . -66.01 -55.03 18.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.557 ' CE1' HG12 ' A' ' 61' ' ' ILE . 18.8 m-30 -54.2 -45.59 72.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 0.0 110.978 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.781 HG23 ' CE1' ' A' ' 102' ' ' PHE . 25.7 m -57.58 -50.88 71.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.393 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 16.9 t -61.95 -51.22 69.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.004 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.789 ' HB2' HG21 ' A' ' 57' ' ' ILE . 50.5 t80 -56.36 -31.58 63.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 110.995 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.85 -50.81 67.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.437 ' O ' ' CE1' ' A' ' 140' ' ' TYR . 39.8 m-85 -53.73 -25.06 16.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 111.022 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.93 HD22 ' CG1' ' A' ' 50' ' ' ILE . 19.0 mt -89.7 -19.93 24.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -92.2 118.05 67.96 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 110.361 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.59 ' HA ' ' CE2' ' A' ' 140' ' ' TYR . 18.3 Cg_endo -74.97 -23.95 13.36 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.485 1.781 . . . . 0.0 111.005 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.45 84.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 93' ' ' PRO . 47.4 mt-10 -38.71 -47.69 1.39 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 110.316 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.2 m -52.87 -54.7 30.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 110.355 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -66.62 -50.22 63.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.473 ' HB1' ' CD2' ' A' ' 136' ' ' HIS . . . -53.06 -53.32 51.96 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.507 1.13 . . . . 0.0 109.306 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -59.52 -50.01 75.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -48.74 -49.0 40.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.56 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -57.11 -56.26 24.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.83 ' HB3' ' HB1' ' A' ' 132' ' ' ALA . 8.1 m-85 -51.01 -41.84 60.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 111.005 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.4 ' O ' ' HB ' ' A' ' 106' ' ' THR . 0.4 OUTLIER -74.17 -19.2 60.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.504 HD23 ' HG2' ' A' ' 107' ' ' GLN . 0.0 OUTLIER -80.51 -49.75 10.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.632 ' HB1' ' CZ ' ' A' ' 109' ' ' PHE . . . -54.47 -24.16 19.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.4 ' HB ' ' O ' ' A' ' 103' ' ' ASP . 1.8 m -59.25 -54.97 40.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.41 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.504 ' HG2' HD23 ' A' ' 104' ' ' LEU . 0.9 OUTLIER -58.37 -23.22 56.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.273 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.688 ' HD1' HG13 ' A' ' 78' ' ' VAL . 8.0 m-85 -82.93 -47.08 12.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 110.964 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.632 ' CZ ' ' HB1' ' A' ' 105' ' ' ALA . 22.1 m-85 -53.25 -38.07 62.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 110.989 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -55.09 -32.28 61.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.96 ' HB2' HG11 ' A' ' 78' ' ' VAL . 59.8 mt-30 -76.99 -40.47 46.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.326 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.57 -55.04 26.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.667 HG12 ' HB3' ' A' ' 122' ' ' TYR . 12.1 m -65.9 -33.23 62.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.279 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.22 -44.33 7.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 109.249 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.417 ' C ' ' HG2' ' A' ' 116' ' ' GLN . 17.7 mm-40 -74.89 -44.06 50.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 110.316 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.417 ' HG2' ' C ' ' A' ' 115' ' ' GLU . 1.0 OUTLIER -139.13 81.96 20.3 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.264 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.488 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.2 Cg_endo -74.95 -1.05 10.7 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.478 1.778 . . . . 0.0 110.972 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -105.72 -12.08 16.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -61.57 129.93 43.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 73.8 p -56.92 -53.72 54.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.405 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . 0.45 ' CD2' ' H ' ' A' ' 121' ' ' HIS . 9.7 m-70 -54.46 -60.18 3.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.576 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.667 ' HB3' HG12 ' A' ' 113' ' ' VAL . 7.6 m-30 -53.65 -24.9 15.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.941 ' O ' HD22 ' A' ' 123' ' ' LEU . 0.0 OUTLIER -75.04 -50.14 17.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.658 ' N ' HD13 ' A' ' 123' ' ' LEU . 7.6 tptt -60.82 -45.65 93.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . 0.407 ' OG ' ' O ' ' A' ' 121' ' ' HIS . 0.0 OUTLIER -55.64 -40.26 71.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.027 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.54 ' O ' HG23 ' A' ' 129' ' ' THR . 48.3 tp -73.28 -56.99 4.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -51.07 -30.55 16.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.342 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.85 -27.32 29.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.612 ' HA ' ' HB2' ' A' ' 132' ' ' ALA . 71.3 p -67.93 -23.42 65.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.428 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -46.79 -56.99 5.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 11.0 mtmm -111.56 47.27 1.04 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.867 ' HB3' ' HD3' ' A' ' 133' ' ' PRO . . . -62.98 -55.21 39.72 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' PRO . . . . . 0.867 ' HD3' ' HB3' ' A' ' 132' ' ' ALA . 18.3 Cg_endo -75.03 -22.04 15.18 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.504 1.792 . . . . 0.0 111.05 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . 0.457 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 69.1 tp60 -80.33 -50.93 9.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 110.269 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.718 ' O ' ' HB2' ' A' ' 139' ' ' ALA . 45.6 mt -49.03 -40.97 33.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' HIS . . . . . 0.473 ' CD2' ' HB1' ' A' ' 98' ' ' ALA . 45.8 t-80 -68.61 -44.72 73.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 109.636 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.501 ' O ' ' CB ' ' A' ' 141' ' ' LYS . . . -61.81 -51.82 66.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.468 ' CG ' ' HA ' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -69.19 -27.09 65.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.271 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.718 ' HB2' ' O ' ' A' ' 135' ' ' LEU . . . -63.68 -49.04 74.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' TYR . . . . . 0.59 ' CE2' ' HA ' ' A' ' 93' ' ' PRO . 5.6 m-85 -86.0 -39.2 17.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . 0.501 ' CB ' ' O ' ' A' ' 137' ' ' ALA . 0.1 OUTLIER -63.64 -47.94 79.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.263 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . 0.448 ' CB ' ' O ' ' A' ' 138' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.297 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.283 -0.265 . . . . 0.0 110.283 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 1.092 HG23 ' CD2' ' A' ' 44' ' ' LEU . 54.6 mt -59.53 -34.6 55.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.525 HD23 ' N ' ' A' ' 11' ' ' LEU . 3.9 mt -63.77 -39.93 95.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.815 HD12 HD12 ' A' ' 16' ' ' ILE . 0.2 OUTLIER -58.35 -48.66 79.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.685 ' O ' HG21 ' A' ' 40' ' ' VAL . 20.3 m-85 -63.83 -27.36 69.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.984 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -67.17 -57.9 5.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.331 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.461 ' CG ' ' O ' ' A' ' 12' ' ' LEU . 6.6 pt20 -50.96 -35.27 32.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.323 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.815 HD12 HD12 ' A' ' 12' ' ' LEU . 18.7 mt -71.22 -52.58 25.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.6 ttt180 -55.36 -32.44 62.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 110.286 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.402 ' O ' ' HB3' ' A' ' 22' ' ' ASN . 13.7 tp60 -69.17 -53.16 21.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.297 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.497 ' O ' ' CB ' ' A' ' 23' ' ' THR . 0.2 OUTLIER -69.44 -29.77 67.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.56 ' HB1' ' HB2' ' A' ' 37' ' ' TRP . . . -73.61 -45.81 50.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.579 ' HG3' ' CZ2' ' A' ' 37' ' ' TRP . 18.0 tt0 -66.64 -45.88 77.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.326 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.486 ' OD1' ' O ' ' A' ' 19' ' ' ASP . 0.2 OUTLIER -66.3 -39.76 89.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.907 HG21 ' CG ' ' A' ' 33' ' ' ASN . 1.3 m -56.05 -23.29 32.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.393 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -55.95 -60.81 2.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.985 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.426 ' CD ' ' O ' ' A' ' 22' ' ' ASN . 0.0 OUTLIER -56.76 -26.49 57.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.332 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.53 -35.65 73.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.037 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.468 ' O ' ' CG ' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -169.4 96.2 0.51 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -0.16 9.61 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.489 1.784 . . . . 0.0 110.999 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.687 ' O ' HG21 ' A' ' 70' ' ' ILE . 11.8 mt -101.98 13.51 34.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.537 ' OD2' HG22 ' A' ' 23' ' ' THR . 46.6 p30 -90.86 98.29 11.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.713 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . . . -71.83 -27.04 62.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.327 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -71.42 -52.16 20.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.907 ' CG ' HG21 ' A' ' 23' ' ' THR . 0.4 OUTLIER -71.11 -37.56 72.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 1.021 ' HG ' ' HB2' ' A' ' 67' ' ' ALA . 3.4 tp -61.3 -49.34 77.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.472 HG22 ' OE2' ' A' ' 76' ' ' GLU . 2.0 m -62.91 -36.58 83.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.387 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.51 -44.51 67.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 110.308 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.579 ' CZ2' ' HG3' ' A' ' 21' ' ' GLU . 12.8 t90 -52.29 -28.07 17.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 108.003 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.552 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -85.74 -50.36 3.99 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.512 1.132 . . . . 0.0 111.025 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -42.68 -44.59 5.46 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.685 HG21 ' O ' ' A' ' 13' ' ' PHE . 4.6 p -67.34 -47.66 80.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.771 . . . . 0.0 109.315 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.473 ' CD1' ' OE2' ' A' ' 59' ' ' GLU . 15.2 mt -49.53 -43.67 45.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.0 mt -61.72 -37.21 83.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.457 ' CD ' ' CZ ' ' A' ' 13' ' ' PHE . 5.1 mm-40 -65.73 -57.06 8.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 110.306 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 1.092 ' CD2' HG23 ' A' ' 10' ' ' ILE . 48.1 mt -62.07 -31.31 71.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 31.3 m -53.76 -18.86 3.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 110.035 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.649 ' HB2' ' CE1' ' A' ' 47' ' ' PHE . 42.4 mt-30 -67.8 -5.56 16.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.303 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.649 ' CE1' ' HB2' ' A' ' 46' ' ' GLN . 1.9 m-85 -157.47 -137.51 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.464 ' O ' ' CB ' ' A' ' 49' ' ' SER . 2.9 m-70 58.54 16.0 3.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.601 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' A' ' 48' ' ' HIS . 3.6 t 83.81 134.59 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.997 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.902 ' CG1' HD22 ' A' ' 91' ' ' LEU . 0.2 OUTLIER -54.74 -39.94 49.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 37.6 t -52.57 -57.55 9.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.073 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.401 ' HB2' ' O ' ' A' ' 48' ' ' HIS . 0.2 OUTLIER -73.4 -42.68 61.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.52 ' HB3' ' HA ' ' A' ' 50' ' ' ILE . . . -46.17 -52.43 12.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.52 ' CD ' HG23 ' A' ' 50' ' ' ILE . 37.3 mtpt -53.87 -56.71 15.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 27.2 mm100 -51.07 -42.05 60.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.278 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.4 mtm -62.18 -34.48 76.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 110.99 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.941 HG21 ' HB2' ' A' ' 88' ' ' PHE . 43.9 mt -72.73 -47.49 49.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 109.338 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -48.4 -54.05 15.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.473 ' OE2' ' CD1' ' A' ' 41' ' ' LEU . 5.4 pt-20 -65.64 -34.34 77.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 0.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.432 ' O ' ' CD2' ' A' ' 64' ' ' PHE . . . -59.56 -34.16 72.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -74.62 -57.68 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.403 ' OG1' ' HA ' ' A' ' 59' ' ' GLU . 50.1 p -50.89 -29.81 12.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 110.393 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.578 ' HE3' ' CH2' ' A' ' 37' ' ' TRP . 0.3 OUTLIER -68.83 -47.5 65.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.595 ' CZ ' ' HB3' ' A' ' 80' ' ' CYS . 23.2 m-85 -59.98 -40.09 87.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.443 1.089 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -49.76 -55.09 15.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.274 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.509 ' HB3' HD21 ' A' ' 34' ' ' LEU . 6.9 tp10 -63.5 -36.06 82.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 110.312 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 1.021 ' HB2' ' HG ' ' A' ' 34' ' ' LEU . . . -63.06 -39.86 95.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.642 HD21 HG23 ' A' ' 78' ' ' VAL . 10.5 mt -63.54 -30.54 71.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' A' ' 66' ' ' GLU . 0.5 OUTLIER -67.07 -35.15 79.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.713 ' HB ' ' HB2' ' A' ' 31' ' ' ALA . 4.5 mt -74.95 -42.72 46.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -144.43 105.11 4.67 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.245 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -19.06 18.19 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.493 1.786 . . . . 0.0 110.961 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -82.63 1.87 36.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.8 tptp -74.07 76.66 1.73 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.477 ' HB3' ' CG ' ' A' ' 115' ' ' GLU . 0.5 OUTLIER -51.95 -26.57 10.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.475 ' HG2' ' CE3' ' A' ' 79' ' ' TRP . 2.2 tt0 -63.77 -53.66 47.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.89 -32.57 45.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.235 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.883 HG11 ' HG2' ' A' ' 111' ' ' GLN . 55.7 t -74.52 -52.9 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.475 ' CE3' ' HG2' ' A' ' 76' ' ' GLU . 0.4 OUTLIER -59.08 -50.39 74.23 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.595 ' HB3' ' CZ ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -50.42 -52.71 35.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 108.305 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.901 HG21 ' CZ ' ' A' ' 108' ' ' PHE . 44.7 mt -51.8 -33.14 15.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -76.95 -45.14 12.38 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.502 1.127 . . . . 0.0 111.021 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -64.57 -31.35 72.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 0.741 . . . . 0.0 109.301 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.421 ' HB1' HG23 ' A' ' 57' ' ' ILE . . . -68.14 -55.5 12.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.55 ' CE2' HD13 ' A' ' 104' ' ' LEU . 6.3 m-85 -56.46 -40.08 74.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 111.014 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 88.2 m -58.9 -50.88 72.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.452 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 48.2 m -62.41 -51.56 67.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.976 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.941 ' HB2' HG21 ' A' ' 57' ' ' ILE . 40.0 t80 -53.3 -33.81 54.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 111.037 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.94 -50.97 66.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.401 ' O ' ' CE1' ' A' ' 140' ' ' TYR . 39.5 m-85 -55.22 -18.08 5.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 111.049 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.902 HD22 ' CG1' ' A' ' 50' ' ' ILE . 43.3 mt -95.18 -20.57 19.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -95.29 117.82 66.57 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.131 . . . . 0.0 110.407 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.417 ' HA ' ' CE2' ' A' ' 140' ' ' TYR . 18.4 Cg_endo -74.98 -25.09 12.23 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.47 1.774 . . . . 0.0 111.012 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.45 88.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 93' ' ' PRO . 44.8 mt-10 -40.12 -47.69 2.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.264 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.3 m -52.9 -57.71 9.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.409 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -65.19 -38.1 89.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 110.253 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.23 -53.49 56.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.34 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.87 -51.8 68.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.443 ' CD2' ' C ' ' A' ' 100' ' ' HIS . 1.4 t60 -48.84 -39.8 26.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 109.545 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -66.98 -54.97 16.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.709 ' HB3' ' HB1' ' A' ' 132' ' ' ALA . 34.1 m-85 -50.96 -40.53 57.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -73.85 -20.0 60.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.55 HD13 ' CE2' ' A' ' 85' ' ' TYR . 0.0 OUTLIER -78.52 -49.23 13.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.573 ' HB1' ' CZ ' ' A' ' 109' ' ' PHE . . . -58.56 -24.3 60.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.8 m -60.78 -55.42 33.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.43 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.45 ' HG3' ' N ' ' A' ' 108' ' ' PHE . 0.0 OUTLIER -53.5 -26.27 20.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.283 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.901 ' CZ ' HG21 ' A' ' 81' ' ' ILE . 33.3 m-85 -84.07 -47.76 10.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 110.961 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.897 ' HB3' HD22 ' A' ' 126' ' ' LEU . 19.6 m-85 -55.93 -51.33 68.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.975 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.5 ' HA ' HD21 ' A' ' 126' ' ' LEU . 0.1 OUTLIER -65.32 -25.95 67.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.127 . . . . 0.0 110.269 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.883 ' HG2' HG11 ' A' ' 78' ' ' VAL . 2.3 tt0 -81.79 -37.68 26.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.328 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.59 -54.4 28.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.968 HG12 ' HB3' ' A' ' 122' ' ' TYR . 6.4 m -55.91 -36.53 44.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -44.72 -34.98 2.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.477 ' CG ' ' HB3' ' A' ' 75' ' ' ASP . 31.9 mm-40 -75.04 -40.67 60.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.082 . . . . 0.0 110.339 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.483 ' O ' ' CG ' ' A' ' 116' ' ' GLN . 1.8 tt0 -157.05 86.72 2.78 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.254 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -0.89 10.54 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.526 1.803 . . . . 0.0 111.005 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.62 -0.75 55.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -87.07 118.7 26.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 45.0 p -54.63 -52.7 61.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.364 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . 0.46 ' CD2' ' H ' ' A' ' 121' ' ' HIS . 9.9 m-70 -50.94 -47.41 61.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 109.591 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.968 ' HB3' HG12 ' A' ' 113' ' ' VAL . 7.2 m-30 -62.77 -24.59 67.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.975 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.885 ' O ' HD22 ' A' ' 123' ' ' LEU . 0.0 OUTLIER -76.97 -51.71 10.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.797 ' N ' HD13 ' A' ' 123' ' ' LEU . 1.5 tptp -54.16 -41.66 68.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . 0.51 ' O ' HG23 ' A' ' 129' ' ' THR . 1.2 m -55.82 -40.18 72.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.999 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.897 HD22 ' HB3' ' A' ' 109' ' ' PHE . 0.2 OUTLIER -68.65 -43.09 76.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.26 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 130' ' ' ALA . 1.5 tp10 -68.09 -41.72 81.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 110.249 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.4 -31.95 4.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 111.037 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.563 ' HA ' ' HB2' ' A' ' 132' ' ' ALA . 10.2 p -68.58 -30.76 69.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.409 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 127' ' ' GLU . . . -40.72 -43.24 1.93 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.491 ' O ' HD12 ' A' ' 135' ' ' LEU . 0.0 OUTLIER -122.16 47.56 1.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.781 ' HB3' ' HD3' ' A' ' 133' ' ' PRO . . . -64.29 -51.75 59.1 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' PRO . . . . . 0.781 ' HD3' ' HB3' ' A' ' 132' ' ' ALA . 18.3 Cg_endo -74.99 -24.14 13.12 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.494 1.786 . . . . 0.0 110.978 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . 0.48 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 30.7 mm-40 -80.37 -50.12 10.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 0.0 110.248 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.66 ' O ' ' HB2' ' A' ' 139' ' ' ALA . 11.8 mt -48.31 -44.16 33.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' HIS . . . . . 0.424 ' HB2' ' CE2' ' A' ' 102' ' ' PHE . 16.0 t-80 -66.8 -44.19 81.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.586 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.427 ' O ' ' HB2' ' A' ' 141' ' ' LYS . . . -61.88 -53.03 61.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.329 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.48 ' CG ' ' O ' ' A' ' 134' ' ' GLN . 0.1 OUTLIER -68.16 -28.43 67.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 110.289 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.66 ' HB2' ' O ' ' A' ' 135' ' ' LEU . . . -66.85 -41.04 88.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' TYR . . . . . 0.417 ' CE2' ' HA ' ' A' ' 93' ' ' PRO . 4.0 m-85 -87.71 -31.09 19.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . 0.427 ' HB2' ' O ' ' A' ' 137' ' ' ALA . 0.0 OUTLIER -70.88 -48.56 53.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.336 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 179.961 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.638 HG23 ' CD2' ' A' ' 44' ' ' LEU . 10.7 mt -60.15 -45.41 95.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.418 1.074 . . . . 0.0 109.275 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.3 mt -57.86 -37.04 73.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.505 ' CD1' HD11 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -60.16 -52.29 65.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.351 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.685 ' HD1' HG23 ' A' ' 40' ' ' VAL . 20.2 m-85 -63.95 -28.13 69.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.972 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -65.71 -59.85 3.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.508 ' HG3' ' N ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -50.8 -30.78 15.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 110.291 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.508 ' N ' ' HG3' ' A' ' 15' ' ' GLN . 23.9 mt -71.49 -52.99 22.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.462 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 10.4 ttt180 -55.41 -54.11 47.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.316 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -50.59 -55.03 18.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.108 . . . . 0.0 110.313 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.598 ' HA ' ' OD1' ' A' ' 22' ' ' ASN . 0.2 OUTLIER -57.45 -43.15 83.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.651 ' HB1' ' CG ' ' A' ' 37' ' ' TRP . . . -50.6 -43.19 56.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.645 ' HG2' ' CZ2' ' A' ' 37' ' ' TRP . 2.0 mt-10 -66.74 -39.43 87.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.321 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.598 ' OD1' ' HA ' ' A' ' 19' ' ' ASP . 0.1 OUTLIER -73.99 -36.38 64.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.489 HG23 ' OD2' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -63.62 -23.61 67.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.158 . . . . 0.0 110.402 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.41 ' CD1' ' HZ3' ' A' ' 37' ' ' TRP . 0.1 OUTLIER -54.81 -60.57 3.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 110.993 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.03 -24.38 67.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.39 -32.46 60.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.982 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.506 ' O ' ' CG ' ' A' ' 30' ' ' ASP . 0.6 OUTLIER -168.97 82.13 0.69 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 24.16 0.39 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.467 1.772 . . . . 0.0 110.937 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.792 ' O ' HG21 ' A' ' 70' ' ' ILE . 12.4 mt -132.72 13.11 4.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.506 ' CG ' ' O ' ' A' ' 27' ' ' ASN . 5.6 p30 -90.79 99.78 12.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.107 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.753 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . . . -71.79 -23.93 61.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -69.95 -54.86 11.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -71.17 -35.12 71.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.958 ' HG ' ' HB2' ' A' ' 67' ' ' ALA . 0.6 OUTLIER -63.95 -52.57 59.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.1 m -58.2 -36.37 73.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.575 1.172 . . . . 0.0 110.357 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.36 -32.77 70.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.44 1.087 . . . . 0.0 110.3 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.651 ' CG ' ' HB1' ' A' ' 20' ' ' ALA . 6.6 t90 -57.63 -27.05 62.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 107.996 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.583 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -84.26 -57.42 2.36 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.533 1.146 . . . . 0.0 111.032 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -42.55 -44.23 5.21 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.685 HG23 ' HD1' ' A' ' 13' ' ' PHE . 9.5 p -67.35 -43.4 87.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.544 0.791 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.553 HD13 ' CG ' ' A' ' 59' ' ' GLU . 17.1 mt -55.8 -49.45 73.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.118 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.4 mt -54.89 -39.88 69.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -62.37 -58.04 9.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.282 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.638 ' CD2' HG23 ' A' ' 10' ' ' ILE . 25.9 mt -61.99 -25.07 67.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.98 -42.97 73.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 110.005 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.421 ' HG2' ' N ' ' A' ' 47' ' ' PHE . 3.0 pt20 -67.81 -36.66 80.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.299 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.58 ' CD2' HG12 ' A' ' 10' ' ' ILE . 22.8 m-85 -75.72 -28.66 58.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 111.043 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 29.9 m-70 -90.18 142.47 27.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.594 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 53' ' ' ALA . 83.0 p -49.52 160.16 0.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.978 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.892 ' CG1' HD22 ' A' ' 91' ' ' LEU . 1.0 OUTLIER -51.5 -51.92 22.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.454 ' N ' HG22 ' A' ' 50' ' ' ILE . 21.7 t -44.59 -56.5 4.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 110.013 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.09 -28.9 64.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.554 ' HB3' ' HA ' ' A' ' 50' ' ' ILE . . . -58.56 -54.42 47.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.417 ' CD ' HG23 ' A' ' 50' ' ' ILE . 0.4 OUTLIER -51.49 -57.92 7.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -53.96 -43.2 69.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.303 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.465 ' HB3' ' HE3' ' A' ' 56' ' ' MET . 2.4 mmm -63.8 -36.94 85.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.984 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.832 HG21 ' HB2' ' A' ' 88' ' ' PHE . 9.6 mt -72.83 -50.69 31.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.435 ' NE2' ' CE2' ' A' ' 88' ' ' PHE . 1.5 mt-30 -45.98 -54.96 7.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.314 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.553 ' CG ' HD13 ' A' ' 41' ' ' LEU . 3.9 pt-20 -63.6 -35.07 79.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.158 . . . . 0.0 110.337 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 57' ' ' ILE . . . -59.77 -32.51 70.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -73.43 -54.12 16.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 59' ' ' GLU . 20.4 p -49.97 -31.41 12.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.39 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.496 ' CA ' HD11 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -66.27 -54.25 27.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 109.345 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.583 ' CE1' ' HA3' ' A' ' 38' ' ' GLY . 21.3 m-85 -56.45 -39.81 73.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.536 1.148 . . . . 0.0 110.958 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -50.14 -56.01 12.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.6 ' HB3' HD21 ' A' ' 34' ' ' LEU . 2.5 tt0 -65.83 -37.78 87.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.279 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.958 ' HB2' ' HG ' ' A' ' 34' ' ' LEU . . . -60.95 -38.19 84.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.646 HD21 HG23 ' A' ' 78' ' ' VAL . 7.1 mt -65.51 -32.62 74.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.44 HD12 ' HA ' ' A' ' 66' ' ' GLU . 0.5 OUTLIER -65.37 -33.52 76.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.792 HG21 ' O ' ' A' ' 29' ' ' LEU . 4.6 mt -76.32 -38.69 33.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -147.31 105.56 3.81 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -18.12 18.98 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.477 1.778 . . . . 0.0 110.998 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.6 ptmt -82.88 1.75 37.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.52 76.69 0.57 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.273 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.09 -29.38 30.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.476 ' HG3' ' CE3' ' A' ' 79' ' ' TRP . 1.5 tp10 -67.14 -51.2 56.89 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 110.324 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -53.37 -32.23 48.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 1.004 HG11 ' HB2' ' A' ' 111' ' ' GLN . 40.7 t -74.52 -53.52 16.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.495 ' CZ3' ' SG ' ' A' ' 80' ' ' CYS . 0.4 OUTLIER -58.57 -47.56 83.85 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.573 ' HB3' ' CZ ' ' A' ' 64' ' ' PHE . 0.5 OUTLIER -50.77 -53.1 34.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 108.314 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.544 HG21 ' CZ ' ' A' ' 108' ' ' PHE . 56.8 mt -51.94 -37.45 21.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -71.31 -44.36 52.46 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.522 1.139 . . . . 0.0 110.994 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -64.56 -31.16 72.26 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.518 0.775 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.447 ' HB1' HG23 ' A' ' 57' ' ' ILE . . . -69.88 -55.5 9.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.532 ' CE2' ' CG2' ' A' ' 81' ' ' ILE . 8.7 m-85 -57.06 -44.72 83.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 26.7 m -54.97 -52.43 63.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 0.0 110.43 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.5 m -61.45 -51.52 68.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 109.975 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.832 ' HB2' HG21 ' A' ' 57' ' ' ILE . 43.2 t80 -53.33 -34.15 56.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.974 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.607 ' HB1' ' CD2' ' A' ' 102' ' ' PHE . . . -63.87 -49.32 73.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.331 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -55.76 -20.07 13.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 111.022 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.892 HD22 ' CG1' ' A' ' 50' ' ' ILE . 23.0 mt -94.29 -16.96 23.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.462 HG22 ' HB2' ' A' ' 98' ' ' ALA . 0.9 OUTLIER -97.22 118.08 64.97 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.444 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.515 ' HA ' ' CE2' ' A' ' 140' ' ' TYR . 18.3 Cg_endo -74.93 -22.6 14.79 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.485 1.781 . . . . 0.0 110.987 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.81 105.96 1.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -54.96 -46.75 75.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 110.301 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.4 m -52.77 -57.99 8.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.381 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -65.25 -50.36 66.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 110.321 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.462 ' HB2' HG22 ' A' ' 92' ' ' THR . . . -52.61 -54.2 36.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.331 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 29.8 tttt -60.43 -49.26 78.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.447 ' CD2' ' C ' ' A' ' 100' ' ' HIS . 1.4 t60 -51.99 -47.62 64.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 109.617 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.85 -47.47 65.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.956 ' CD1' ' HB1' ' A' ' 132' ' ' ALA . 1.4 m-85 -55.53 -42.31 74.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.42 -19.48 60.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.559 HD22 ' CE2' ' A' ' 108' ' ' PHE . 0.1 OUTLIER -72.21 -48.39 43.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.344 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -56.91 -31.39 64.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.337 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.2 m -60.43 -56.11 25.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 110.372 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.519 ' HG2' HD23 ' A' ' 104' ' ' LEU . 2.0 pt20 -56.75 -23.14 40.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.755 ' HD1' HG13 ' A' ' 78' ' ' VAL . 6.0 m-85 -82.51 -48.56 10.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.776 ' O ' HG13 ' A' ' 113' ' ' VAL . 16.1 m-85 -54.98 -19.85 7.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.955 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -74.26 -26.76 60.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 110.275 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 1.004 ' HB2' HG11 ' A' ' 78' ' ' VAL . 37.8 mt-30 -81.52 -43.76 18.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.282 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.61 -47.71 84.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.318 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.801 HG12 ' HB3' ' A' ' 122' ' ' TYR . 5.6 m -67.88 -38.65 80.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.21 -48.43 12.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -63.99 -40.37 96.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.315 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -161.8 90.39 1.45 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.27 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.457 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.3 Cg_endo -74.97 -4.17 15.01 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.464 1.771 . . . . 0.0 111.022 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -86.76 -4.36 59.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -79.96 108.07 13.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.465 ' HA ' HD12 ' A' ' 123' ' ' LEU . 1.9 t -52.96 -27.32 18.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 110.399 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -61.11 -45.53 94.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.624 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.801 ' HB3' HG12 ' A' ' 113' ' ' VAL . 14.8 m-30 -79.12 -36.65 40.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.912 ' O ' HD22 ' A' ' 123' ' ' LEU . 0.0 OUTLIER -59.22 -44.59 92.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.898 ' N ' HD13 ' A' ' 123' ' ' LEU . 2.8 tptt -67.68 -47.42 69.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . 0.434 ' HB3' ' CE1' ' A' ' 109' ' ' PHE . 0.5 OUTLIER -57.79 -49.37 76.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.999 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.659 HD13 ' HB3' ' A' ' 109' ' ' PHE . 28.5 tp -68.91 -38.13 79.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.443 ' CB ' ' O ' ' A' ' 123' ' ' LEU . 1.0 OUTLIER -66.67 -36.35 82.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 110.312 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 7.2 mmm -71.07 -41.98 70.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 111.008 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.564 ' O ' ' HB2' ' A' ' 132' ' ' ALA . 0.5 OUTLIER -59.32 -22.62 61.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 110.37 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -41.85 -59.85 1.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.586 ' O ' HD12 ' A' ' 135' ' ' LEU . 12.2 mttt -90.53 45.27 1.25 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.956 ' HB1' ' CD1' ' A' ' 102' ' ' PHE . . . -63.63 -44.47 80.79 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.336 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' PRO . . . . . 0.641 ' CD ' ' N ' ' A' ' 132' ' ' ALA . 18.4 Cg_endo -74.99 -29.93 7.71 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.485 1.782 . . . . 0.0 111.026 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . 0.465 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 46.1 mm-40 -80.66 -47.0 14.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 110.275 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.685 ' O ' ' HB2' ' A' ' 139' ' ' ALA . 6.9 mt -51.04 -42.84 60.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' HIS . . . . . 0.565 ' HB2' ' CE2' ' A' ' 102' ' ' PHE . 56.8 t-80 -66.21 -44.35 84.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.603 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.537 ' O ' ' CB ' ' A' ' 141' ' ' LYS . . . -61.96 -52.69 62.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.5 ' O ' ' CB ' ' A' ' 142' ' ' GLN . 0.0 OUTLIER -69.24 -26.73 64.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.293 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.685 ' HB2' ' O ' ' A' ' 135' ' ' LEU . . . -66.9 -49.66 64.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.243 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' TYR . . . . . 0.515 ' CE2' ' HA ' ' A' ' 93' ' ' PRO . 5.5 m-85 -83.34 -43.09 16.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . 0.537 ' CB ' ' O ' ' A' ' 137' ' ' ALA . 0.0 OUTLIER -61.1 -48.08 83.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.33 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . 0.5 ' CB ' ' O ' ' A' ' 138' ' ' GLU . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.27 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.457 ' CG ' ' CE2' ' A' ' 13' ' ' PHE . 10.1 ttm180 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.795 HG23 ' CD2' ' A' ' 44' ' ' LEU . 42.8 mt -68.19 -45.17 83.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.42 1.075 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.442 HD23 ' N ' ' A' ' 11' ' ' LEU . 6.6 mt -54.9 -38.94 68.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.68 HD12 HD12 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -64.06 -48.71 75.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.779 ' CD1' HG23 ' A' ' 40' ' ' VAL . 12.5 m-85 -63.77 -28.33 69.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -66.53 -59.54 3.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 110.304 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.486 ' HG3' ' N ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -51.84 -28.47 15.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.26 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.68 HD12 HD12 ' A' ' 12' ' ' LEU . 5.3 mt -71.9 -53.3 20.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.413 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -49.44 -58.93 4.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 110.329 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.424 ' HG3' ' O ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -53.77 -42.31 68.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 110.274 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 23' ' ' THR . 0.2 OUTLIER -63.11 -34.14 76.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.112 . . . . 0.0 109.319 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.596 ' HB1' ' CG ' ' A' ' 37' ' ' TRP . . . -66.34 -47.97 71.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.668 ' HG2' ' CZ2' ' A' ' 37' ' ' TRP . 2.8 mt-10 -58.91 -42.65 90.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.445 ' HA ' ' CE ' ' A' ' 25' ' ' LYS . 1.0 OUTLIER -75.44 -36.14 60.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.334 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.607 HG21 ' CG ' ' A' ' 33' ' ' ASN . 2.7 m -62.18 -25.56 67.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.451 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.464 ' O ' ' CD ' ' A' ' 28' ' ' PRO . 0.1 OUTLIER -54.5 -60.85 2.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 110.979 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.445 ' CE ' ' HA ' ' A' ' 22' ' ' ASN . 0.0 OUTLIER -63.48 -28.99 70.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.61 -38.22 73.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 110.009 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' A' ' 23' ' ' THR . 1.5 t30 -169.52 84.35 0.62 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.464 ' CD ' ' O ' ' A' ' 24' ' ' TYR . 18.4 Cg_endo -74.97 -0.72 10.3 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.494 1.787 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.797 ' O ' HG21 ' A' ' 70' ' ' ILE . 8.3 mt -91.92 -21.99 20.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.41 ' O ' ' HB2' ' A' ' 34' ' ' LEU . 0.9 OUTLIER -66.99 97.96 0.53 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.11 . . . . 0.0 109.324 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.822 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . . . -71.95 -21.93 61.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -65.6 -52.49 51.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.607 ' CG ' HG21 ' A' ' 23' ' ' THR . 0.5 OUTLIER -69.42 -34.61 74.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.266 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.684 HD22 ' O ' ' A' ' 63' ' ' LYS . 0.5 OUTLIER -66.69 -35.68 80.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 0.0 109.303 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.6 m -72.78 -39.03 67.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 110.396 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.2 ptt180 -70.46 -20.14 62.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.098 . . . . 0.0 110.324 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.668 ' CZ2' ' HG2' ' A' ' 21' ' ' GLU . 6.2 t90 -67.42 -27.08 66.76 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.612 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -86.26 -60.7 1.71 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -39.58 -41.75 1.78 Allowed Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.779 HG23 ' CD1' ' A' ' 13' ' ' PHE . 5.7 p -67.4 -50.71 59.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.51 0.771 . . . . 0.0 109.253 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.476 ' N ' HG13 ' A' ' 40' ' ' VAL . 45.0 mt -52.15 -42.29 63.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 24.0 mt -65.49 -35.15 80.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -65.68 -57.48 7.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.795 ' CD2' HG23 ' A' ' 10' ' ' ILE . 21.5 mt -52.66 -29.71 27.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.32 -16.94 6.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 109.974 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -68.23 -7.04 27.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 110.263 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.642 ' O ' ' CG ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -157.83 21.09 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 110.985 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.587 ' O ' ' O ' ' A' ' 49' ' ' SER . 0.4 OUTLIER -108.69 46.24 0.98 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.59 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.777 ' O ' ' HB2' ' A' ' 53' ' ' ALA . 66.9 m 41.12 -173.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.994 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.838 HG13 HD22 ' A' ' 91' ' ' LEU . 0.2 OUTLIER -83.06 -52.82 12.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.472 ' N ' HG22 ' A' ' 50' ' ' ILE . 91.7 p -51.28 -57.23 9.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.97 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.452 ' O ' ' CG ' ' A' ' 56' ' ' MET . 0.2 OUTLIER -62.16 -32.08 72.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.777 ' HB2' ' O ' ' A' ' 49' ' ' SER . . . -66.53 -46.16 77.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.462 ' CD ' HG23 ' A' ' 50' ' ' ILE . 38.9 mtpt -62.49 -59.15 5.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.512 ' HG3' ' N ' ' A' ' 56' ' ' MET . 0.0 OUTLIER -53.56 -36.18 61.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.276 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.544 ' SD ' ' CG ' ' A' ' 48' ' ' HIS . 64.6 mtp -71.08 -37.05 72.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.792 HG21 ' HB2' ' A' ' 88' ' ' PHE . 8.8 mt -71.42 -51.83 30.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.548 ' O ' HG23 ' A' ' 62' ' ' THR . 3.4 mt-30 -45.19 -54.41 6.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.449 ' OE2' ' CD1' ' A' ' 41' ' ' LEU . 4.8 pt-20 -66.48 -36.39 82.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.425 ' N ' ' HG2' ' A' ' 59' ' ' GLU . . . -58.67 -27.96 65.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.668 HD13 ' CE1' ' A' ' 85' ' ' TYR . 1.4 mt -80.1 -52.3 14.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.296 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.548 HG23 ' O ' ' A' ' 58' ' ' GLN . 68.0 p -50.11 -31.65 13.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.097 . . . . 0.0 110.401 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.684 ' O ' HD22 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -72.29 -45.37 60.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.612 ' CE1' ' HA3' ' A' ' 38' ' ' GLY . 19.4 m-30 -56.4 -42.84 78.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.54 1.15 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -52.93 -54.68 31.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.283 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.534 ' HA ' HD12 ' A' ' 69' ' ' LEU . 0.4 OUTLIER -56.47 -37.05 69.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 110.326 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.577 ' HA ' HD12 ' A' ' 70' ' ' ILE . . . -64.79 -44.77 88.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.756 HD21 HG23 ' A' ' 78' ' ' VAL . 16.2 mt -59.33 -33.07 70.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.534 HD12 ' HA ' ' A' ' 66' ' ' GLU . 0.8 OUTLIER -63.54 -40.07 96.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.344 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.822 ' HB ' ' HB2' ' A' ' 31' ' ' ALA . 5.8 mt -66.72 -44.45 89.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -152.82 114.01 2.76 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -4.5 15.49 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.443 1.759 . . . . 0.0 111.004 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 75' ' ' ASP . 20.1 mmtt -82.9 -6.37 59.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -66.11 75.33 0.09 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.3 OUTLIER -55.76 -29.01 58.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 179.922 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.416 ' HG3' ' CE3' ' A' ' 79' ' ' TRP . 34.2 tt0 -68.0 -51.5 46.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.314 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.22 -32.27 35.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.974 HG11 ' HB2' ' A' ' 111' ' ' GLN . 36.7 t -74.59 -52.89 18.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.479 ' CZ3' ' SG ' ' A' ' 80' ' ' CYS . 0.4 OUTLIER -59.11 -50.13 75.23 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.574 ' HB3' ' CZ ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -50.66 -51.2 51.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 108.313 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.569 HG21 ' CZ ' ' A' ' 108' ' ' PHE . 35.7 mt -51.88 -33.75 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -75.94 -46.51 13.49 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.464 1.102 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -62.52 -29.33 70.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 0.772 . . . . 0.0 109.313 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.705 ' HB1' HG23 ' A' ' 57' ' ' ILE . . . -69.92 -55.43 9.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.668 ' CE1' HD13 ' A' ' 61' ' ' ILE . 12.0 m-85 -57.84 -44.28 86.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 74.7 m -54.87 -48.52 72.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.432 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.5 m -66.1 -51.62 56.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 110.006 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.792 ' HB2' HG21 ' A' ' 57' ' ' ILE . 41.6 t80 -54.91 -38.55 67.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 111.008 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.66 ' HB1' ' CD2' ' A' ' 102' ' ' PHE . . . -56.12 -52.6 63.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -54.01 -23.86 14.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.979 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.838 HD22 HG13 ' A' ' 50' ' ' ILE . 22.0 mt -88.5 -20.26 25.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.434 HG22 ' HB2' ' A' ' 98' ' ' ALA . 0.9 OUTLIER -97.18 118.79 64.29 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 110.383 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.558 ' HA ' ' CE2' ' A' ' 140' ' ' TYR . 18.2 Cg_endo -75.08 -26.09 11.13 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.497 1.788 . . . . 0.0 110.968 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -58.83 87.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 93' ' ' PRO . 91.5 mt-10 -40.6 -46.93 2.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.495 HG23 ' N ' ' A' ' 97' ' ' GLU . 13.4 t -52.64 -53.17 50.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.384 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.495 ' N ' HG23 ' A' ' 96' ' ' THR . 4.8 mm-40 -70.65 -49.91 42.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.295 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.434 ' HB2' HG22 ' A' ' 92' ' ' THR . . . -52.93 -54.48 34.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.33 -51.89 67.58 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -49.21 -49.18 44.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.632 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.426 ' OD1' ' CD1' ' A' ' 85' ' ' TYR . 0.5 OUTLIER -67.03 -46.89 73.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.669 ' HD1' ' HB1' ' A' ' 132' ' ' ALA . 0.9 OUTLIER -55.24 -42.75 73.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.03 -22.01 59.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.595 HD22 ' CE2' ' A' ' 108' ' ' PHE . 0.1 OUTLIER -71.99 -45.13 62.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.143 . . . . 0.0 109.311 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -53.23 -33.95 55.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.499 ' OG1' HG23 ' A' ' 129' ' ' THR . 19.8 m -61.24 -55.63 29.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 110.413 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -50.84 -27.33 7.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 110.254 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.743 ' HD1' HG13 ' A' ' 78' ' ' VAL . 16.4 m-85 -83.27 -48.39 10.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 110.955 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.679 ' O ' HG13 ' A' ' 113' ' ' VAL . 14.6 m-85 -55.2 -22.34 17.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.448 1.093 . . . . 0.0 111.013 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -74.32 -25.79 59.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.28 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.974 ' HB2' HG11 ' A' ' 78' ' ' VAL . 36.0 mt-30 -81.74 -41.52 21.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.331 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -57.69 -48.72 78.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.138 . . . . 0.0 109.3 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.679 HG13 ' O ' ' A' ' 109' ' ' PHE . 4.2 m -66.77 -39.57 83.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.15 -45.91 11.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -69.67 -38.37 77.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.347 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -159.58 89.16 1.97 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 110.297 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.457 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.2 Cg_endo -75.0 -3.52 14.05 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.513 1.796 . . . . 0.0 111.009 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -87.3 -12.07 47.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -65.16 111.08 2.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 72.0 p -57.46 -23.81 51.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.399 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . 0.465 ' CD2' ' H ' ' A' ' 121' ' ' HIS . 3.9 m-70 -70.28 -58.61 3.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.564 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.64 ' HB3' HG12 ' A' ' 113' ' ' VAL . 12.4 m-30 -57.91 -34.62 70.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.875 ' O ' HD22 ' A' ' 123' ' ' LEU . 0.0 OUTLIER -59.31 -50.33 74.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.431 1.082 . . . . 0.0 109.299 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.805 ' N ' HD13 ' A' ' 123' ' ' LEU . 13.4 tptt -62.63 -43.14 99.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.99 -48.51 75.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.064 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 32.6 tp -70.79 -44.88 65.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.66 -47.09 70.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 110.331 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 2.2 mmm -67.62 -39.3 84.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 110.972 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.499 HG23 ' OG1' ' A' ' 106' ' ' THR . 0.3 OUTLIER -60.47 -19.63 57.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.403 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -47.08 -49.85 20.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.417 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 2.8 mtmt -101.89 42.93 1.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.731 ' HB3' ' HD3' ' A' ' 133' ' ' PRO . . . -59.64 -50.31 87.59 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' PRO . . . . . 0.731 ' HD3' ' HB3' ' A' ' 132' ' ' ALA . 18.3 Cg_endo -74.99 -24.15 13.12 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.504 1.792 . . . . 0.0 111.027 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 42.3 tp60 -80.18 -47.24 14.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 110.314 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.738 ' O ' ' HB2' ' A' ' 139' ' ' ALA . 16.8 mt -54.38 -37.93 65.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' HIS . . . . . 0.595 ' HB2' ' CE2' ' A' ' 102' ' ' PHE . 56.4 t-80 -67.12 -43.63 81.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.582 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.549 ' O ' ' CB ' ' A' ' 141' ' ' LYS . . . -62.06 -53.32 57.14 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.486 ' CG ' ' HA ' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -69.05 -30.55 68.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.738 ' HB2' ' O ' ' A' ' 135' ' ' LEU . . . -58.44 -50.34 74.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' TYR . . . . . 0.558 ' CE2' ' HA ' ' A' ' 93' ' ' PRO . 6.9 m-85 -86.43 -40.93 14.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.964 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . 0.549 ' CB ' ' O ' ' A' ' 137' ' ' ALA . 0.0 OUTLIER -58.07 -48.01 81.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 110.277 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.4 ttm-85 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.34 -0.245 . . . . 0.0 110.34 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.457 HG23 HD22 ' A' ' 44' ' ' LEU . 42.5 mt -65.39 -41.33 90.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.4 mt -57.61 -44.77 85.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.716 ' CD1' HD11 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -57.97 -46.43 85.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.8 ' HD1' HG23 ' A' ' 40' ' ' VAL . 6.4 m-85 -64.0 -37.07 86.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 110.985 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -60.43 -57.26 13.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 1.085 . . . . 0.0 110.268 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.517 ' HG3' ' N ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -53.62 -27.81 29.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.289 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.716 HD11 ' CD1' ' A' ' 12' ' ' LEU . 52.1 mt -71.4 -53.5 20.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.487 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 13.3 ttp180 -52.44 -51.71 57.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.321 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.43 ' NE2' ' OD1' ' A' ' 22' ' ' ASN . 2.6 tp60 -55.06 -54.77 38.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 110.326 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 23' ' ' THR . 0.1 OUTLIER -57.93 -37.18 73.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.73 ' HB1' ' CG ' ' A' ' 37' ' ' TRP . . . -56.5 -43.21 79.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.619 ' HG2' ' CZ2' ' A' ' 37' ' ' TRP . 3.0 mt-10 -66.51 -38.24 86.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.425 1.078 . . . . 0.0 110.292 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.43 ' OD1' ' NE2' ' A' ' 18' ' ' GLN . 1.1 m120 -73.72 -33.54 64.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.455 HG21 ' CG ' ' A' ' 33' ' ' ASN . 2.2 m -63.29 -22.74 67.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.396 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.404 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -64.74 -61.67 2.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 111.007 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.6 -23.99 67.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.74 -40.36 29.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.138 . . . . 0.0 110.007 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 23' ' ' THR . 2.2 m-20 -168.11 89.41 0.67 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 0.35 9.0 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.499 1.789 . . . . 0.0 111.01 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.895 ' O ' HG21 ' A' ' 70' ' ' ILE . 18.8 mt -90.42 -21.45 21.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.41 ' O ' ' HB2' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -64.54 98.34 0.25 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.429 1.081 . . . . 0.0 109.302 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.798 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . . . -74.66 -45.06 47.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.339 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -48.98 -50.46 35.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.568 1.168 . . . . 0.0 109.293 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.455 ' CG ' HG21 ' A' ' 23' ' ' THR . 0.7 OUTLIER -66.28 -46.17 77.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.91 HD22 ' O ' ' A' ' 63' ' ' LYS . 0.2 OUTLIER -52.8 -50.32 63.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.448 ' CG2' ' HG2' ' A' ' 76' ' ' GLU . 72.4 m -57.68 -35.82 71.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 110.38 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.53 ' HD3' HG21 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -70.31 -26.31 63.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.73 ' CG ' ' HB1' ' A' ' 20' ' ' ALA . 5.9 t90 -65.44 -28.16 69.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 108.035 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.626 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -83.28 -60.1 2.06 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -42.02 -44.46 4.7 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.8 HG23 ' HD1' ' A' ' 13' ' ' PHE . 5.1 p -67.43 -38.97 81.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 38' ' ' GLY . 14.8 mt -60.96 -42.64 98.66 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.259 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 17.7 mt -65.59 -36.95 85.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -65.79 -58.34 5.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.253 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.689 HD21 ' HB2' ' A' ' 13' ' ' PHE . 71.8 mt -60.61 -30.23 69.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -53.66 -37.81 63.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.004 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.456 ' HG2' ' N ' ' A' ' 47' ' ' PHE . 0.4 OUTLIER -68.05 -37.48 81.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.456 ' N ' ' HG2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -78.28 -22.64 47.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 111.027 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.452 ' O ' ' HB3' ' A' ' 49' ' ' SER . 0.4 OUTLIER -78.88 -93.5 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.502 1.126 . . . . 0.0 109.601 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.503 ' O ' ' N ' ' A' ' 53' ' ' ALA . 35.1 p 177.66 153.39 0.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.959 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.742 ' CG1' HD22 ' A' ' 91' ' ' LEU . 0.1 OUTLIER -48.27 -46.84 13.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 109.347 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 47.9 t -47.12 -57.64 4.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 109.982 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.416 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 24.1 m-20 -75.02 -45.07 44.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.552 ' HB3' ' HA ' ' A' ' 50' ' ' ILE . . . -45.25 -36.11 3.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.488 ' CD ' HG23 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -65.47 -58.37 5.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.416 ' HG2' ' O ' ' A' ' 52' ' ' ASP . 6.6 pt20 -62.46 -36.09 81.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.312 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 82.8 mtp -67.6 -32.36 73.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.964 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.904 HG21 ' HB2' ' A' ' 88' ' ' PHE . 22.1 mt -71.84 -46.12 62.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.405 ' O ' HG23 ' A' ' 62' ' ' THR . 6.9 mt-30 -51.24 -51.23 55.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.302 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.431 ' HG2' ' N ' ' A' ' 60' ' ' ALA . 2.4 pt-20 -66.69 -35.22 79.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 110.323 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.431 ' N ' ' HG2' ' A' ' 59' ' ' GLU . . . -59.72 -32.45 70.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.442 HG22 ' N ' ' A' ' 62' ' ' THR . 0.4 OUTLIER -69.87 -57.28 8.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.234 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.442 ' N ' HG22 ' A' ' 61' ' ' ILE . 72.0 p -49.19 -35.57 17.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.396 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.91 ' O ' HD22 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -62.4 -42.55 99.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.626 ' CE1' ' HA3' ' A' ' 38' ' ' GLY . 21.3 m-85 -67.04 -40.43 87.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.974 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -50.71 -55.46 16.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.314 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.57 ' HA ' HD12 ' A' ' 69' ' ' LEU . 4.9 tt0 -57.55 -35.27 70.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.327 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.419 ' HA ' HD12 ' A' ' 70' ' ' ILE . . . -66.2 -46.5 77.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.76 HD21 HG23 ' A' ' 78' ' ' VAL . 10.1 mt -57.34 -28.98 63.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.57 HD12 ' HA ' ' A' ' 66' ' ' GLU . 0.9 OUTLIER -68.61 -45.14 72.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.254 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.895 HG21 ' O ' ' A' ' 29' ' ' LEU . 5.0 mt -65.63 -43.05 94.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 109.25 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -144.11 110.06 5.07 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -19.36 17.92 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.494 1.786 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -82.78 3.35 29.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -67.92 77.41 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.1 -30.54 26.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.448 ' HG2' ' CG2' ' A' ' 35' ' ' THR . 72.9 tt0 -67.18 -52.76 37.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 110.364 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.16 -32.79 37.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.999 HG11 ' HB2' ' A' ' 111' ' ' GLN . 14.7 t -74.6 -53.59 16.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.472 ' CD1' ' OD1' ' A' ' 83' ' ' ASN . 0.3 OUTLIER -58.2 -46.74 85.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 108.03 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 64' ' ' PHE . 0.5 OUTLIER -50.6 -54.17 24.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 108.282 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.599 ' CG2' ' CE2' ' A' ' 85' ' ' TYR . 68.9 mt -51.91 -39.49 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -68.78 -41.11 84.32 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.52 1.137 . . . . 0.0 111.043 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.472 ' OD1' ' CD1' ' A' ' 79' ' ' TRP . 3.1 m120 -64.46 -37.99 89.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 0.765 . . . . 0.0 109.347 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.627 ' HB1' HG23 ' A' ' 57' ' ' ILE . . . -63.81 -55.29 24.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.599 ' CE2' ' CG2' ' A' ' 81' ' ' ILE . 13.0 m-85 -58.45 -47.03 85.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.957 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.502 HG23 ' CE1' ' A' ' 102' ' ' PHE . 42.5 m -57.99 -46.76 84.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 110.395 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.411 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 2.0 m -66.92 -52.09 47.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.0 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.904 ' HB2' HG21 ' A' ' 57' ' ' ILE . 40.7 t80 -52.27 -35.18 49.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 111.03 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.554 ' HB1' ' HB1' ' A' ' 98' ' ' ALA . . . -58.51 -49.38 77.57 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -58.01 -21.51 45.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 0.0 111.013 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.742 HD22 ' CG1' ' A' ' 50' ' ' ILE . 1.4 mt -95.82 -4.14 44.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.441 HG21 ' HB2' ' A' ' 97' ' ' GLU . 1.2 m -98.32 106.38 35.29 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.382 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.552 ' HA ' ' CE2' ' A' ' 140' ' ' TYR . 18.5 Cg_endo -74.99 -13.15 21.51 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.437 1.756 . . . . 0.0 111.049 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.633 ' O ' ' CB ' ' A' ' 95' ' ' GLU . 0.2 OUTLIER -58.29 -50.08 74.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.095 . . . . 0.0 109.309 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.633 ' CB ' ' O ' ' A' ' 94' ' ' ASP . 3.3 mm-40 97.68 -56.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 110.274 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -57.7 -40.22 79.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 110.414 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.441 ' HB2' HG21 ' A' ' 92' ' ' THR . 7.6 mt-10 -75.89 -35.62 59.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.289 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.554 ' HB1' ' HB1' ' A' ' 89' ' ' ALA . . . -68.39 -52.88 28.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 10.3 tttt -56.0 -51.65 67.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.522 ' CD2' ' C ' ' A' ' 100' ' ' HIS . 0.2 OUTLIER -52.79 -44.07 66.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.555 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -62.12 -52.65 63.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.83 ' HB3' ' HB1' ' A' ' 132' ' ' ALA . 7.8 m-85 -50.99 -44.77 60.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.74 -19.33 62.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.484 HD23 ' HG2' ' A' ' 107' ' ' GLN . 0.1 OUTLIER -78.7 -47.52 16.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.847 ' HB1' ' CZ ' ' A' ' 109' ' ' PHE . . . -58.37 -24.46 59.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 3.1 m -61.15 -55.79 28.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.401 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.484 ' HG2' HD23 ' A' ' 104' ' ' LEU . 1.0 OUTLIER -57.12 -23.31 46.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.279 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.763 ' HD1' HG13 ' A' ' 78' ' ' VAL . 13.5 m-85 -82.6 -47.29 12.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.847 ' CZ ' ' HB1' ' A' ' 105' ' ' ALA . 20.0 m-30 -53.33 -32.06 47.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 111.042 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.418 ' HA ' ' NE2' ' A' ' 110' ' ' GLN . 1.4 tp60 -59.94 -30.2 68.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.248 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.999 ' HB2' HG11 ' A' ' 78' ' ' VAL . 56.5 mt-30 -81.55 -42.71 19.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.325 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.542 ' O ' ' CD2' ' A' ' 122' ' ' TYR . . . -61.98 -49.18 77.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.262 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.723 HG12 ' HB3' ' A' ' 122' ' ' TYR . 10.1 m -67.37 -33.55 63.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -44.99 -45.04 10.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.417 ' C ' ' HG2' ' A' ' 116' ' ' GLN . 61.3 mm-40 -75.08 -44.97 44.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.294 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.417 ' HG2' ' C ' ' A' ' 115' ' ' GLU . 1.4 mm-40 -139.16 83.26 18.08 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.258 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.475 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.4 Cg_endo -74.96 -14.56 21.19 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.507 1.793 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -92.59 -12.14 32.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -61.33 120.91 11.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 38.1 p -56.97 -30.44 64.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.376 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . 0.445 ' CD2' ' H ' ' A' ' 121' ' ' HIS . 4.7 m-70 -70.27 -59.68 2.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.576 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.723 ' HB3' HG12 ' A' ' 113' ' ' VAL . 10.6 m-30 -60.41 -23.33 64.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 111.03 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 1.002 ' O ' HD22 ' A' ' 123' ' ' LEU . 0.0 OUTLIER -73.32 -45.8 53.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.1 . . . . 0.0 109.265 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.651 ' N ' HD13 ' A' ' 123' ' ' LEU . 12.1 tptt -58.5 -44.54 89.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.55 -43.34 89.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.008 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 45.0 tp -71.18 -40.36 71.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.274 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.99 -34.47 76.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.279 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . 0.424 ' N ' ' O ' ' A' ' 124' ' ' LYS . 0.6 OUTLIER -54.66 -32.41 59.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.763 ' HA ' ' HB2' ' A' ' 132' ' ' ALA . 20.8 p -63.49 -34.04 76.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.359 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 129' ' ' THR . . . -39.75 -46.5 1.91 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.168 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -123.63 46.22 2.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.83 ' HB1' ' HB3' ' A' ' 102' ' ' PHE . . . -64.82 -50.41 63.72 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' PRO . . . . . 0.736 ' HD3' ' HB3' ' A' ' 132' ' ' ALA . 18.3 Cg_endo -74.97 -25.58 11.78 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.475 1.776 . . . . 0.0 110.987 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . 0.451 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 8.1 mm-40 -80.52 -51.01 9.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 110.276 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.742 ' O ' ' HB2' ' A' ' 139' ' ' ALA . 37.5 mt -48.43 -42.3 31.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' HIS . . . . . 0.57 ' CE1' ' HA ' ' A' ' 95' ' ' GLU . 58.9 t-80 -67.07 -45.06 78.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.637 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.523 ' O ' ' CB ' ' A' ' 141' ' ' LYS . . . -61.79 -53.13 60.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.467 ' CG ' ' HA ' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -68.45 -27.77 66.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.243 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.742 ' HB2' ' O ' ' A' ' 135' ' ' LEU . . . -59.02 -53.15 61.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' TYR . . . . . 0.552 ' CE2' ' HA ' ' A' ' 93' ' ' PRO . 10.5 m-85 -85.37 -41.39 15.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.977 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . 0.523 ' CB ' ' O ' ' A' ' 137' ' ' ALA . 2.6 tmmm? -57.95 -48.07 81.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . 0.428 ' CB ' ' O ' ' A' ' 138' ' ' GLU . 2.2 tp60 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.422 1.076 . . . . 0.0 110.331 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.454 ' CG ' ' CE2' ' A' ' 13' ' ' PHE . 8.6 ttm180 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.914 HG23 HD21 ' A' ' 44' ' ' LEU . 1.7 mt -66.49 -42.18 89.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.514 HD23 ' N ' ' A' ' 11' ' ' LEU . 5.0 mt -53.72 -38.83 64.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.578 ' CD1' HD11 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -68.67 -46.04 70.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.592 ' HD1' HG23 ' A' ' 40' ' ' VAL . 7.7 m-85 -63.87 -29.57 70.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -64.02 -53.96 41.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.508 ' HG3' ' N ' ' A' ' 16' ' ' ILE . 0.9 OUTLIER -56.78 -31.28 64.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.578 HD11 ' CD1' ' A' ' 12' ' ' LEU . 41.5 mt -71.66 -45.38 67.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -52.79 -53.87 42.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.268 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.496 ' HG3' ' N ' ' A' ' 19' ' ' ASP . 7.8 pt20 -63.27 -36.94 85.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.326 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.496 ' N ' ' HG3' ' A' ' 18' ' ' GLN . 0.5 OUTLIER -68.46 -41.44 80.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.975 ' HB1' ' HB2' ' A' ' 37' ' ' TRP . . . -73.68 -57.53 3.92 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.127 . . . . 0.0 109.279 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.56 ' HG3' ' CZ2' ' A' ' 37' ' ' TRP . 2.8 tt0 -50.87 -51.63 49.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 110.321 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.428 ' CB ' ' O ' ' A' ' 18' ' ' GLN . 28.6 t30 -61.9 -46.04 91.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.761 HG22 ' OD2' ' A' ' 30' ' ' ASP . 1.8 m -55.01 -28.11 49.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 110.341 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.456 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 10.9 t80 -49.77 -60.72 2.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.411 ' HD3' ' HA ' ' A' ' 22' ' ' ASN . 0.0 OUTLIER -62.32 -26.91 68.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.336 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.44 -31.56 68.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.994 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.469 ' O ' ' CG ' ' A' ' 30' ' ' ASP . 2.7 m-80 -169.66 94.47 0.51 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 109.336 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 1.72 7.45 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.531 1.806 . . . . 0.0 110.969 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.81 ' O ' HG21 ' A' ' 70' ' ' ILE . 11.7 mt -101.88 6.68 41.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.761 ' OD2' HG22 ' A' ' 23' ' ' THR . 50.2 p-10 -87.28 98.01 11.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.826 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . . . -73.23 -31.15 63.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.329 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.43 -55.35 16.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.103 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.562 ' CG ' HG21 ' A' ' 23' ' ' THR . 1.1 m120 -68.48 -34.15 75.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 1.023 ' HG ' ' HB2' ' A' ' 67' ' ' ALA . 7.4 tp -67.08 -42.93 83.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.578 HG22 ' OE2' ' A' ' 76' ' ' GLU . 41.1 m -68.84 -42.45 77.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 110.43 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.442 ' CZ ' ' CB ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -68.28 -25.11 65.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.975 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . 12.6 t90 -67.19 -27.14 67.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.132 . . . . 0.0 107.993 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.592 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -85.53 -54.51 2.79 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.559 1.162 . . . . 0.0 110.983 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -43.58 -41.62 5.55 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.592 HG23 ' HD1' ' A' ' 13' ' ' PHE . 0.7 OUTLIER -67.38 -48.72 76.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.528 0.781 . . . . 0.0 109.229 -179.936 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.484 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 21.4 mt -48.44 -45.2 36.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.638 HD13 HD22 ' A' ' 83' ' ' ASN . 14.1 mt -65.52 -37.1 85.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.559 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 12.4 mm-40 -63.42 -57.52 10.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.914 HD21 HG23 ' A' ' 10' ' ' ILE . 11.3 mt -55.15 -34.56 63.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.7 m -59.6 -12.71 7.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.033 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -68.08 -14.13 62.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.66 ' CE2' HD13 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -158.2 22.15 0.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.97 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.58 ' CD2' ' HB3' ' A' ' 44' ' ' LEU . 0.2 OUTLIER -96.64 5.22 51.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.65 179.93 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.483 ' CB ' ' O ' ' A' ' 48' ' ' HIS . 0.7 OUTLIER 84.02 128.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.001 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.869 ' CG1' HD22 ' A' ' 91' ' ' LEU . 0.5 OUTLIER -47.3 -48.04 9.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.404 ' N ' HG22 ' A' ' 50' ' ' ILE . 47.9 t -44.8 -56.09 4.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.977 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -71.87 -45.13 62.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.649 ' O ' HD12 ' A' ' 57' ' ' ILE . . . -44.8 -35.03 2.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.334 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.7 mtpt -64.59 -58.06 7.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.365 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -63.37 -35.32 80.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.243 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 89.2 mtp -67.51 -34.27 76.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 111.019 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.916 HG21 ' HB2' ' A' ' 88' ' ' PHE . 19.2 mt -72.82 -47.53 49.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -47.26 -54.45 10.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.335 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.46 ' CG ' HD13 ' A' ' 41' ' ' LEU . 5.5 pt-20 -65.18 -35.34 80.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 110.263 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.485 ' O ' ' CD2' ' A' ' 64' ' ' PHE . . . -59.7 -28.97 67.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.413 HG22 ' N ' ' A' ' 62' ' ' THR . 0.4 OUTLIER -78.09 -57.36 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.413 ' N ' HG22 ' A' ' 61' ' ' ILE . 72.3 p -49.68 -28.38 5.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 110.416 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.489 ' NZ ' ' CH2' ' A' ' 37' ' ' TRP . 0.1 OUTLIER -69.35 -48.65 60.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 0.0 109.262 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.592 ' CE1' ' HA3' ' A' ' 38' ' ' GLY . 20.9 m-85 -60.92 -37.88 83.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.959 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.07 -56.06 12.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 110.317 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.477 ' HB3' HD21 ' A' ' 34' ' ' LEU . 1.4 tp10 -66.27 -35.13 79.61 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.473 1.108 . . . . 0.0 110.322 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 1.023 ' HB2' ' HG ' ' A' ' 34' ' ' LEU . . . -63.01 -38.54 91.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.684 HD21 HG23 ' A' ' 78' ' ' VAL . 6.0 mt -65.26 -29.61 70.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.44 HD12 ' HA ' ' A' ' 66' ' ' GLU . 0.5 OUTLIER -67.88 -33.46 74.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.826 ' HB ' ' HB2' ' A' ' 31' ' ' ALA . 5.6 mt -75.78 -39.57 38.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.466 ' OD2' ' N ' ' A' ' 74' ' ' LYS . 31.2 t70 -145.21 107.36 4.5 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -26.16 11.17 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.492 1.785 . . . . 0.0 110.979 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.84 7.17 13.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.466 ' N ' ' OD2' ' A' ' 71' ' ' ASP . 4.5 tppt? -73.1 78.42 1.23 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.33 -24.92 8.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.578 ' OE2' HG22 ' A' ' 35' ' ' THR . 4.0 tt0 -69.85 -53.98 15.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.314 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.46 -33.05 42.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.972 HG11 ' HB2' ' A' ' 111' ' ' GLN . 24.7 t -74.73 -53.31 16.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.432 ' CE3' ' HG2' ' A' ' 76' ' ' GLU . 0.4 OUTLIER -57.99 -47.33 83.31 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.589 ' HB3' ' CZ ' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -50.1 -53.97 23.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 108.298 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.754 HG21 ' CZ ' ' A' ' 108' ' ' PHE . 66.3 mt -51.95 -40.22 27.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -71.22 -43.38 55.73 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.462 1.101 . . . . 0.0 110.986 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.638 HD22 HD13 ' A' ' 42' ' ' LEU . 1.3 t30 -64.55 -33.16 75.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 0.77 . . . . 0.0 109.299 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.553 ' HB1' HG23 ' A' ' 57' ' ' ILE . . . -69.86 -54.76 12.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.588 ' CE2' HD13 ' A' ' 104' ' ' LEU . 4.8 m-85 -56.19 -47.39 78.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.523 HG23 ' CE1' ' A' ' 102' ' ' PHE . 40.9 m -54.66 -46.14 73.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.428 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 47.7 t -66.95 -51.3 56.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.994 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.916 ' HB2' HG21 ' A' ' 57' ' ' ILE . 35.9 t80 -53.89 -31.69 50.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.28 -45.91 89.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.478 ' O ' ' CE1' ' A' ' 140' ' ' TYR . 32.8 m-85 -60.49 -21.41 62.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.997 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.869 HD22 ' CG1' ' A' ' 50' ' ' ILE . 0.8 OUTLIER -95.55 -4.74 44.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.25 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -97.5 109.06 48.67 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.393 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.557 ' HA ' ' CE2' ' A' ' 140' ' ' TYR . 18.4 Cg_endo -75.05 48.23 1.96 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.476 1.777 . . . . 0.0 110.979 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.444 ' O ' ' CB ' ' A' ' 98' ' ' ALA . 3.2 m-20 -152.34 121.08 6.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -64.37 -45.77 86.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.113 . . . . 0.0 110.3 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.464 ' CG2' ' N ' ' A' ' 97' ' ' GLU . 6.9 t -51.64 -50.52 60.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.427 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.464 ' N ' ' CG2' ' A' ' 96' ' ' THR . 3.4 mm-40 -75.98 -50.21 15.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.428 1.08 . . . . 0.0 110.314 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.444 ' CB ' ' O ' ' A' ' 94' ' ' ASP . . . -52.78 -53.38 49.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 53.4 tttp -59.47 -53.19 61.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.553 ' CD2' ' C ' ' A' ' 100' ' ' HIS . 0.2 OUTLIER -48.87 -43.65 39.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.584 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.47 ' ND2' ' CD1' ' A' ' 85' ' ' TYR . 1.2 m120 -63.77 -54.41 35.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.799 ' HB3' ' HB1' ' A' ' 132' ' ' ALA . 4.0 m-85 -51.1 -49.0 61.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -64.45 -22.09 66.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.588 HD13 ' CE2' ' A' ' 85' ' ' TYR . 0.0 OUTLIER -75.58 -47.59 26.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.556 ' HB1' ' CZ ' ' A' ' 109' ' ' PHE . . . -62.24 -23.8 66.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.412 ' HA ' ' CD2' ' A' ' 109' ' ' PHE . 2.3 m -64.31 -54.58 30.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 110.429 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.413 ' HG2' HD23 ' A' ' 104' ' ' LEU . 0.5 OUTLIER -54.75 -23.63 18.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.17 . . . . 0.0 110.329 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.773 ' HD1' HG13 ' A' ' 78' ' ' VAL . 12.5 m-85 -82.72 -46.18 13.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.556 ' CZ ' ' HB1' ' A' ' 105' ' ' ALA . 21.8 m-30 -53.67 -37.03 62.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 111.023 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.457 ' HA ' ' NE2' ' A' ' 110' ' ' GLN . 11.0 tp60 -56.72 -29.16 62.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.972 ' HB2' HG11 ' A' ' 78' ' ' VAL . 61.5 mt-30 -80.99 -42.91 20.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 110.326 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.65 -51.67 68.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.322 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.806 HG12 ' HB3' ' A' ' 122' ' ' TYR . 5.2 m -64.88 -38.99 84.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -45.4 -47.97 13.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -68.29 -37.23 80.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 110.293 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.43 ' O ' ' CG ' ' A' ' 116' ' ' GLN . 1.5 tt0 -161.73 90.33 1.46 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.137 . . . . 0.0 110.296 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.468 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.1 Cg_endo -75.03 -3.09 13.41 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.5 1.789 . . . . 0.0 110.993 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -86.02 -8.3 58.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -71.54 118.43 14.35 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.566 1.166 . . . . 0.0 109.282 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 62.1 p -55.49 -50.8 68.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.377 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . 0.446 ' CD2' ' H ' ' A' ' 121' ' ' HIS . 12.3 m-70 -49.63 -59.33 3.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.593 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.806 ' HB3' HG12 ' A' ' 113' ' ' VAL . 10.4 m-30 -51.83 -34.27 39.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.888 ' O ' HD22 ' A' ' 123' ' ' LEU . 0.0 OUTLIER -65.93 -52.09 52.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.745 ' N ' HD13 ' A' ' 123' ' ' LEU . 1.5 tptp -57.65 -40.45 79.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . 0.467 ' O ' HG23 ' A' ' 129' ' ' THR . 0.8 OUTLIER -62.43 -39.3 92.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.96 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.473 HD12 ' HA ' ' A' ' 126' ' ' LEU . 10.9 tp -73.41 -44.79 57.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.54 -33.07 74.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.246 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . 0.403 ' N ' ' O ' ' A' ' 124' ' ' LYS . 21.8 mmm -57.49 -29.35 64.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.467 HG22 ' HE2' ' A' ' 109' ' ' PHE . 14.0 p -68.54 -29.96 68.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 110.377 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -42.31 -48.54 5.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.413 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 0.7 OUTLIER -114.24 48.48 1.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.812 ' HB3' ' HD3' ' A' ' 133' ' ' PRO . . . -63.66 -52.86 55.58 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.262 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' PRO . . . . . 0.812 ' HD3' ' HB3' ' A' ' 132' ' ' ALA . 18.3 Cg_endo -75.04 -23.87 13.31 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.506 1.793 . . . . 0.0 110.986 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . 0.461 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 6.3 tp-100 -80.47 -50.68 9.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.715 ' O ' ' HB2' ' A' ' 139' ' ' ALA . 59.0 mt -51.58 -40.57 60.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.268 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -68.02 -44.58 76.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.617 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.521 ' O ' ' CB ' ' A' ' 141' ' ' LYS . . . -61.79 -52.44 64.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.258 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.47 ' CG ' ' HA ' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -68.92 -27.03 65.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.715 ' HB2' ' O ' ' A' ' 135' ' ' LEU . . . -63.94 -50.65 67.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' TYR . . . . . 0.557 ' CE2' ' HA ' ' A' ' 93' ' ' PRO . 6.4 m-85 -84.17 -43.22 15.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.974 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . 0.521 ' CB ' ' O ' ' A' ' 137' ' ' ALA . 1.3 ttpt -57.34 -48.11 79.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.292 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.5 ttm180 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 1.019 HG23 ' CD2' ' A' ' 44' ' ' LEU . 16.1 mt -62.77 -33.85 62.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.528 HD23 ' N ' ' A' ' 11' ' ' LEU . 4.4 mt -63.67 -41.11 98.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.883 HD12 HD12 ' A' ' 16' ' ' ILE . 0.2 OUTLIER -61.38 -47.96 83.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.749 ' CD1' HG23 ' A' ' 40' ' ' VAL . 13.8 m-85 -63.81 -25.38 68.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.972 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.426 ' CG ' ' O ' ' A' ' 10' ' ' ILE . 3.0 mm-40 -68.0 -55.94 10.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.237 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.477 ' HG3' ' N ' ' A' ' 16' ' ' ILE . 3.8 pt20 -55.99 -29.41 60.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.328 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.883 HD12 HD12 ' A' ' 12' ' ' LEU . 12.7 mt -71.45 -51.04 36.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 109.345 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.51 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 2.3 ttt180 -51.36 -58.49 6.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.261 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.43 ' HG3' ' N ' ' A' ' 19' ' ' ASP . 18.1 pt20 -50.77 -46.32 59.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.322 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.43 ' N ' ' HG3' ' A' ' 18' ' ' GLN . 0.1 OUTLIER -62.89 -28.47 70.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.739 ' HB1' ' CG ' ' A' ' 37' ' ' TRP . . . -70.98 -41.91 70.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.659 ' HG2' ' CZ2' ' A' ' 37' ' ' TRP . 2.9 mt-10 -66.46 -40.46 89.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 110.285 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.486 ' HA ' ' CE ' ' A' ' 25' ' ' LYS . 1.0 OUTLIER -75.52 -36.71 60.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.344 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.587 HG21 ' CG ' ' A' ' 33' ' ' ASN . 1.3 m -60.41 -26.23 66.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.412 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.452 ' O ' ' CD ' ' A' ' 28' ' ' PRO . 0.0 OUTLIER -54.58 -60.92 2.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.994 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.486 ' CE ' ' HA ' ' A' ' 22' ' ' ASN . 0.0 OUTLIER -64.09 -26.76 68.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.5 t -71.82 -39.5 69.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.988 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -169.57 84.53 0.62 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.452 ' CD ' ' O ' ' A' ' 24' ' ' TYR . 18.3 Cg_endo -74.98 -0.87 10.48 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.44 1.758 . . . . 0.0 111.028 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.811 ' O ' HG21 ' A' ' 70' ' ' ILE . 9.8 mt -91.08 -23.62 20.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -64.58 99.44 0.31 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.807 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . . . -74.01 -21.76 59.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -69.81 -47.5 62.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.266 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.587 ' CG ' HG21 ' A' ' 23' ' ' THR . 0.2 OUTLIER -70.94 -40.06 72.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.847 HD22 ' O ' ' A' ' 63' ' ' LYS . 0.2 OUTLIER -59.17 -50.21 74.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.095 . . . . 0.0 109.283 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 40.3 m -58.74 -35.12 72.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.408 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.46 -23.93 62.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 110.298 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.739 ' CG ' ' HB1' ' A' ' 20' ' ' ALA . 6.1 t90 -67.02 -27.47 67.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 0.0 107.991 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.616 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -84.79 -58.21 2.17 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -38.89 -44.98 2.04 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.749 HG23 ' CD1' ' A' ' 13' ' ' PHE . 4.7 p -67.38 -48.79 76.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.515 0.773 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.63 HD11 ' OE2' ' A' ' 59' ' ' GLU . 12.0 mt -49.69 -44.14 47.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.468 HD13 HD22 ' A' ' 83' ' ' ASN . 17.2 mt -64.27 -37.88 89.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.516 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 15.2 mm-40 -63.03 -51.62 66.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.349 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 1.019 ' CD2' HG23 ' A' ' 10' ' ' ILE . 13.9 mt -62.06 -34.08 75.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.425 ' N ' ' HE1' ' A' ' 56' ' ' MET . 0.3 OUTLIER -61.9 -21.57 64.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.037 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.684 ' HB2' ' CE1' ' A' ' 47' ' ' PHE . 36.3 mt-30 -67.97 -3.43 9.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 110.365 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.684 ' CE1' ' HB2' ' A' ' 46' ' ' GLN . 0.1 OUTLIER -157.05 60.89 0.51 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.14 . . . . 0.0 110.989 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -157.03 140.61 15.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.585 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.3 t -40.7 136.5 1.37 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.136 . . . . 0.0 110.005 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.939 ' CG1' HD22 ' A' ' 91' ' ' LEU . 1.0 OUTLIER -48.04 -41.83 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.0 t -52.21 -47.71 65.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 109.994 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.36 -26.61 38.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.582 ' HB3' ' HA ' ' A' ' 50' ' ' ILE . . . -61.85 -53.29 57.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.113 . . . . 0.0 109.247 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.477 ' CD ' HG23 ' A' ' 50' ' ' ILE . 23.9 mtpt -55.87 -53.28 58.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -54.81 -42.93 72.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 110.315 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.611 ' HG2' HD22 ' A' ' 41' ' ' LEU . 8.8 mtp -65.45 -36.58 84.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 111.026 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.764 HG21 ' HB2' ' A' ' 88' ' ' PHE . 18.3 mt -72.61 -51.42 28.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.461 ' O ' HG23 ' A' ' 62' ' ' THR . 4.1 mt-30 -45.49 -54.37 7.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.63 ' OE2' HD11 ' A' ' 41' ' ' LEU . 3.1 pt-20 -65.12 -35.34 80.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 110.328 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.413 ' N ' ' HG2' ' A' ' 59' ' ' GLU . . . -59.52 -28.87 67.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.404 HG22 ' N ' ' A' ' 62' ' ' THR . 0.4 OUTLIER -76.37 -56.19 8.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.461 HG23 ' O ' ' A' ' 58' ' ' GLN . 56.8 p -50.21 -35.33 26.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 110.394 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.847 ' O ' HD22 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -60.39 -51.97 67.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.234 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.616 ' CE1' ' HA3' ' A' ' 38' ' ' GLY . 21.5 m-85 -56.96 -41.24 77.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 111.039 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.79 -55.67 10.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 110.35 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.445 ' HA ' HD12 ' A' ' 69' ' ' LEU . 2.3 tp10 -56.46 -38.8 72.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.327 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.717 ' HA ' HD12 ' A' ' 70' ' ' ILE . . . -64.3 -43.75 93.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.71 HD21 HG23 ' A' ' 78' ' ' VAL . 13.8 mt -60.75 -29.19 69.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.445 HD12 ' HA ' ' A' ' 66' ' ' GLU . 0.7 OUTLIER -69.33 -34.97 75.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.811 HG21 ' O ' ' A' ' 29' ' ' LEU . 5.9 mt -71.44 -44.34 71.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -149.08 113.61 3.6 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -6.31 17.89 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.475 1.776 . . . . 0.0 111.005 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 75' ' ' ASP . 5.6 mmtp -87.24 -6.98 58.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.503 ' CE ' ' HA ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -65.89 74.77 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.9 OUTLIER -51.81 -34.7 41.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.438 ' HG3' ' CE3' ' A' ' 79' ' ' TRP . 24.2 tt0 -59.21 -52.44 65.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.56 -32.33 40.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.303 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.969 HG11 ' HB2' ' A' ' 111' ' ' GLN . 25.4 t -74.53 -52.97 18.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.438 ' CE3' ' HG3' ' A' ' 76' ' ' GLU . 0.4 OUTLIER -59.25 -48.77 80.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 108.017 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.576 ' HB3' ' CZ ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -50.37 -53.5 28.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 108.267 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.573 HG21 ' CZ ' ' A' ' 108' ' ' PHE . 55.1 mt -51.85 -30.87 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.47 ' HA3' ' CE1' ' A' ' 109' ' ' PHE . . . -80.06 -42.17 11.22 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.468 HD22 HD13 ' A' ' 42' ' ' LEU . 1.3 t30 -64.45 -31.73 73.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 0.769 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.572 ' HB1' HG23 ' A' ' 57' ' ' ILE . . . -69.88 -55.71 9.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.512 ' CD2' ' O ' ' A' ' 81' ' ' ILE . 7.9 m-85 -54.17 -41.13 68.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.583 1.177 . . . . 0.0 110.967 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 17.5 m -54.7 -50.82 67.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.425 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.2 t -64.07 -51.82 62.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.003 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.764 ' HB2' HG21 ' A' ' 57' ' ' ILE . 45.7 t80 -51.1 -41.83 60.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 111.014 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.701 ' HB1' ' CD2' ' A' ' 102' ' ' PHE . . . -56.09 -52.62 63.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -55.0 -18.0 4.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.939 HD22 ' CG1' ' A' ' 50' ' ' ILE . 33.6 mt -93.89 -22.35 18.67 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.452 HG22 ' HB2' ' A' ' 98' ' ' ALA . 0.9 OUTLIER -96.9 116.55 66.11 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 110.426 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.443 ' O ' ' N ' ' A' ' 95' ' ' GLU . 18.3 Cg_endo -75.03 -24.52 12.68 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.557 1.819 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -58.98 86.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 93' ' ' PRO . 49.7 mt-10 -39.88 -47.25 2.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.09 . . . . 0.0 110.309 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.4 m -52.61 -51.29 60.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.39 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -72.54 -48.93 36.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.572 1.17 . . . . 0.0 110.331 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.452 ' HB2' HG22 ' A' ' 92' ' ' THR . . . -53.19 -53.81 45.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.41 -43.07 97.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.128 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.448 ' CD2' ' C ' ' A' ' 100' ' ' HIS . 1.3 t60 -59.7 -43.46 94.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.156 . . . . 0.0 109.574 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -72.52 -47.6 47.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.259 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.898 ' CD1' ' HB1' ' A' ' 132' ' ' ALA . 1.6 m-85 -52.25 -50.27 62.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 111.021 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.81 -19.82 65.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.491 HD23 ' HG2' ' A' ' 107' ' ' GLN . 0.0 OUTLIER -68.57 -45.03 73.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.674 ' HB1' ' CZ ' ' A' ' 109' ' ' PHE . . . -59.72 -34.77 73.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 4.3 m -58.33 -56.57 20.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 110.349 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.491 ' HG2' HD23 ' A' ' 104' ' ' LEU . 0.8 OUTLIER -55.07 -24.2 24.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.275 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.738 ' HD1' HG13 ' A' ' 78' ' ' VAL . 4.5 m-85 -84.42 -49.46 8.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.674 ' CZ ' ' HB1' ' A' ' 105' ' ' ALA . 21.4 m-85 -54.6 -32.23 58.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.128 . . . . 0.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.439 ' HA ' ' NE2' ' A' ' 110' ' ' GLN . 4.0 tp60 -60.11 -28.99 68.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.969 ' HB2' HG11 ' A' ' 78' ' ' VAL . 37.7 mt-30 -81.42 -37.65 27.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -57.19 -52.86 63.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 117' ' ' PRO . 4.4 m -63.94 -34.53 68.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -44.37 -45.43 8.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.475 ' C ' ' HG2' ' A' ' 116' ' ' GLN . 29.5 mm-40 -75.03 -44.25 48.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 110.332 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.475 ' HG2' ' C ' ' A' ' 115' ' ' GLU . 1.3 mm-40 -138.72 83.83 19.04 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 110.34 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.457 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.2 Cg_endo -74.99 -11.76 21.5 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.464 1.77 . . . . 0.0 110.986 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -92.91 -12.42 30.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . 0.411 ' HB3' ' ND1' ' A' ' 121' ' ' HIS . 15.6 m-20 -71.96 115.71 11.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.526 HG23 ' H ' ' A' ' 121' ' ' HIS . 1.5 t -54.93 -57.75 10.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 0.0 110.416 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . 0.566 ' N ' ' ND1' ' A' ' 121' ' ' HIS . 0.0 OUTLIER -45.86 -35.99 4.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.112 . . . . 0.0 109.592 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.408 ' O ' ' OG ' ' A' ' 125' ' ' SER . 4.1 m-30 -81.24 -25.6 36.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 111.026 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.929 HD13 ' N ' ' A' ' 124' ' ' LYS . 0.0 OUTLIER -81.42 -45.99 15.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.929 ' N ' HD13 ' A' ' 123' ' ' LEU . 5.3 tptt -49.89 -39.14 38.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . 0.423 ' O ' ' HB ' ' A' ' 129' ' ' THR . 0.0 OUTLIER -54.68 -41.91 70.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.997 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.492 HD22 ' HB3' ' A' ' 109' ' ' PHE . 3.0 mm? -66.67 -43.65 83.96 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.629 ' O ' ' HB3' ' A' ' 130' ' ' ALA . 3.1 tp10 -67.9 -42.65 80.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.255 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.38 -59.81 4.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 110.97 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.473 ' O ' ' HB2' ' A' ' 132' ' ' ALA . 0.5 OUTLIER -56.58 -22.23 32.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.395 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.629 ' HB3' ' O ' ' A' ' 127' ' ' GLU . . . -44.06 -53.88 5.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.412 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 3.3 mttt -96.71 41.99 1.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.898 ' HB1' ' CD1' ' A' ' 102' ' ' PHE . . . -58.49 -48.26 97.25 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' PRO . . . . . 0.652 ' HD3' ' HB3' ' A' ' 132' ' ' ALA . 18.2 Cg_endo -75.04 -24.55 12.66 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.455 1.766 . . . . 0.0 111.002 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . 0.444 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 18.4 tp60 -80.58 -47.42 14.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.311 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.643 ' O ' ' HB2' ' A' ' 139' ' ' ALA . 9.0 mt -55.98 -41.65 75.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' HIS . . . . . 0.589 ' HB2' ' CE2' ' A' ' 102' ' ' PHE . 59.4 t-80 -66.5 -42.56 87.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.604 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.537 ' O ' ' CB ' ' A' ' 141' ' ' LYS . . . -62.09 -52.92 61.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.502 ' O ' ' CG ' ' A' ' 142' ' ' GLN . 0.0 OUTLIER -69.43 -36.25 76.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.643 ' HB2' ' O ' ' A' ' 135' ' ' LEU . . . -56.93 -48.16 78.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' TYR . . . . . 0.569 ' CE1' ' CD2' ' A' ' 136' ' ' HIS . 5.1 m-85 -83.99 -43.06 15.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.981 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . 0.537 ' CB ' ' O ' ' A' ' 137' ' ' ALA . 3.9 tmtt? -58.54 -48.03 82.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.161 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . 0.502 ' CG ' ' O ' ' A' ' 138' ' ' GLU . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 110.259 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.433 ' NH1' ' HB2' ' A' ' 9' ' ' ARG . 10.5 ttm105 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.872 HG23 ' CD2' ' A' ' 44' ' ' LEU . 96.5 mt -63.56 -37.7 80.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.415 HD23 ' N ' ' A' ' 11' ' ' LEU . 5.9 mt -57.34 -33.35 67.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.794 HD12 HD12 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -70.22 -50.47 39.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.526 ' HD1' HG23 ' A' ' 40' ' ' VAL . 18.3 m-85 -63.88 -30.93 71.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 0.0 110.966 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -61.85 -60.27 3.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 110.299 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.456 ' HA ' ' NE2' ' A' ' 18' ' ' GLN . 10.3 pt20 -49.72 -35.3 21.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 110.315 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.794 HD12 HD12 ' A' ' 12' ' ' LEU . 20.7 mt -71.35 -47.8 57.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.561 1.163 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.1 ttt180 -52.05 -46.7 65.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 110.278 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.456 ' NE2' ' HA ' ' A' ' 15' ' ' GLN . 15.2 pt20 -67.46 -42.05 83.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.452 ' O ' ' CB ' ' A' ' 23' ' ' THR . 0.1 OUTLIER -65.64 -39.29 91.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.162 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.847 ' HB1' ' HB2' ' A' ' 37' ' ' TRP . . . -73.58 -54.77 7.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.259 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.556 ' HG3' ' CZ2' ' A' ' 37' ' ' TRP . 8.3 tt0 -54.86 -47.67 73.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.7 t30 -64.67 -47.69 77.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.618 HG21 ' CG ' ' A' ' 33' ' ' ASN . 2.5 m -54.02 -24.43 16.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 110.391 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.443 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 8.6 t80 -52.84 -60.13 3.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.963 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.78 -27.17 69.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.4 t -70.6 -36.21 73.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.165 . . . . 0.0 110.027 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -169.36 89.76 0.58 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -2.55 12.68 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.493 1.786 . . . . 0.0 110.986 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.828 ' O ' HG21 ' A' ' 70' ' ' ILE . 8.1 mt -91.42 -10.68 40.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -73.66 99.83 3.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.467 1.105 . . . . 0.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.745 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . . . -70.18 -21.9 63.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.364 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -72.22 -55.41 7.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.618 ' CG ' HG21 ' A' ' 23' ' ' THR . 24.0 t-20 -70.8 -32.08 69.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.25 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.995 ' HG ' ' HB2' ' A' ' 67' ' ' ALA . 0.5 OUTLIER -65.27 -55.07 20.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 109.267 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.1 m -59.8 -33.45 71.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.389 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.423 ' HD3' ' CG2' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -70.38 -44.57 67.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.315 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.847 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . 13.7 t90 -51.63 -27.67 12.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 108.006 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.426 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -83.88 -56.58 2.57 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.509 1.13 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -40.49 -45.58 3.43 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.526 HG23 ' HD1' ' A' ' 13' ' ' PHE . 0.9 OUTLIER -67.31 -46.52 83.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.471 0.748 . . . . 0.0 109.296 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.446 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 10.0 mt -49.31 -44.94 44.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.322 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.697 HD13 HD22 ' A' ' 83' ' ' ASN . 17.6 mt -62.83 -38.42 90.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.166 . . . . 0.0 109.291 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -65.72 -56.46 11.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.335 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.872 ' CD2' HG23 ' A' ' 10' ' ' ILE . 11.8 mt -61.71 -25.5 67.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.32 -36.09 75.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 110.005 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.486 ' CG ' ' N ' ' A' ' 47' ' ' PHE . 1.3 pt20 -67.93 -44.97 75.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.622 ' HB3' HD11 ' A' ' 10' ' ' ILE . 74.8 m-85 -78.02 -20.5 52.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.982 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.444 ' N ' ' O ' ' A' ' 44' ' ' LEU . 20.0 m-70 -92.92 137.87 31.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.168 . . . . 0.0 109.617 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.515 ' O ' ' N ' ' A' ' 53' ' ' ALA . 25.8 p -40.81 154.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.993 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.746 ' CG1' HD22 ' A' ' 91' ' ' LEU . 1.0 OUTLIER -53.01 -50.02 46.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.424 ' N ' HG22 ' A' ' 50' ' ' ILE . 5.7 t -46.31 -46.56 18.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.992 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.469 ' O ' ' CG ' ' A' ' 56' ' ' MET . 0.4 OUTLIER -82.14 -25.37 34.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 109.273 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.679 ' HB3' ' HA ' ' A' ' 50' ' ' ILE . . . -67.77 -56.4 9.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.524 ' CD ' HG23 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -58.22 -48.98 78.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.431 ' NE2' ' OD1' ' A' ' 52' ' ' ASP . 1.5 pt20 -61.47 -33.42 73.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.24 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.539 ' HE1' ' C ' ' A' ' 44' ' ' LEU . 36.1 mtp -70.59 -30.46 67.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 111.012 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.91 HG23 ' HB1' ' A' ' 84' ' ' ALA . 36.3 mt -72.79 -47.14 50.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.449 ' O ' HG22 ' A' ' 62' ' ' THR . 19.9 mt-30 -46.06 -54.38 8.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 110.312 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.498 ' HA ' ' CG2' ' A' ' 62' ' ' THR . 5.1 pt-20 -66.04 -38.33 88.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.317 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.16 -49.47 77.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.113 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.612 HG22 ' N ' ' A' ' 62' ' ' THR . 0.1 OUTLIER -53.24 -62.27 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.612 ' N ' HG22 ' A' ' 61' ' ' ILE . 1.8 t -51.84 -28.52 16.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.391 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.485 ' HE3' ' CH2' ' A' ' 37' ' ' TRP . 0.6 OUTLIER -65.92 -36.89 84.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.613 ' CZ ' ' SG ' ' A' ' 80' ' ' CYS . 21.5 m-85 -71.21 -39.51 71.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -48.27 -55.53 10.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 110.289 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.636 ' HB3' HD21 ' A' ' 34' ' ' LEU . 0.7 OUTLIER -60.88 -44.97 96.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.091 . . . . 0.0 110.266 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.995 ' HB2' ' HG ' ' A' ' 34' ' ' LEU . . . -57.87 -33.75 69.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.691 HD21 HG23 ' A' ' 78' ' ' VAL . 7.2 mt -70.02 -30.59 67.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' A' ' 66' ' ' GLU . 0.5 OUTLIER -68.34 -29.62 68.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.828 HG21 ' O ' ' A' ' 29' ' ' LEU . 4.3 mt -78.96 -41.14 23.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.088 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -147.05 103.54 3.83 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -16.24 20.3 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.528 1.804 . . . . 0.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt -82.67 -0.9 49.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.59 81.13 2.0 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.463 ' HB3' ' CG ' ' A' ' 115' ' ' GLU . 0.3 OUTLIER -54.07 -26.13 25.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.259 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.416 ' HG3' ' CE3' ' A' ' 79' ' ' TRP . 2.2 tp10 -65.53 -52.44 52.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.329 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.5 -32.83 42.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.338 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.99 HG11 ' HB2' ' A' ' 111' ' ' GLN . 37.0 t -74.65 -53.39 16.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 109.286 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.416 ' CE3' ' HG3' ' A' ' 76' ' ' GLU . 0.4 OUTLIER -57.83 -44.34 86.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 107.985 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.613 ' SG ' ' CZ ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -50.28 -53.33 29.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 108.318 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.786 HG21 ' CZ ' ' A' ' 108' ' ' PHE . 86.2 mt -51.93 -51.65 27.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.575 ' HA3' ' CE1' ' A' ' 109' ' ' PHE . . . -61.16 -42.3 99.74 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.485 1.116 . . . . 0.0 111.028 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.697 HD22 HD13 ' A' ' 42' ' ' LEU . 4.6 t30 -64.0 -36.22 83.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 0.774 . . . . 0.0 109.272 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.91 ' HB1' HG23 ' A' ' 57' ' ' ILE . . . -69.67 -54.63 12.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.11 . . . . 0.0 109.298 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.626 ' CE2' HD11 ' A' ' 104' ' ' LEU . 3.8 m-85 -56.05 -39.54 72.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 54.9 m -60.6 -49.31 78.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 110.418 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.2 m -66.62 -49.28 66.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.965 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.745 ' HB2' HG21 ' A' ' 57' ' ' ILE . 18.4 t80 -52.66 -32.92 44.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 111.041 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.427 ' HB1' ' CD2' ' A' ' 102' ' ' PHE . . . -63.39 -49.59 73.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -56.19 -21.19 21.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.746 HD22 ' CG1' ' A' ' 50' ' ' ILE . 12.6 mt -89.27 -23.71 22.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.422 HG22 ' HB2' ' A' ' 98' ' ' ALA . 0.8 OUTLIER -94.65 119.09 66.68 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.386 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.514 ' HA ' ' CE2' ' A' ' 140' ' ' TYR . 18.4 Cg_endo -74.99 -28.02 9.55 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.525 1.803 . . . . 0.0 111.037 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.95 93.11 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -43.86 -47.2 8.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.3 m -52.1 -49.93 62.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.351 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -72.72 -48.28 40.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.125 . . . . 0.0 110.331 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.422 ' HB2' HG22 ' A' ' 92' ' ' THR . . . -54.11 -53.55 51.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.353 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.4 -42.18 95.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.52 ' CD2' ' C ' ' A' ' 100' ' ' HIS . 0.2 OUTLIER -57.45 -46.1 84.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.626 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ASN . . . . . 0.414 ' O ' ' N ' ' A' ' 105' ' ' ALA . 10.3 m120 -70.26 -46.76 63.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.767 ' CD1' ' HB1' ' A' ' 132' ' ' ALA . 1.1 m-85 -51.3 -54.26 27.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.39 -35.41 73.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.696 HD22 ' O ' ' A' ' 104' ' ' LEU . 1.5 tm? -66.12 -22.16 66.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.35 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 101' ' ' ASN . . . -82.3 -25.07 34.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.8 m -67.71 -50.64 56.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 110.366 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -46.59 -30.66 2.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.331 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.786 ' CZ ' HG21 ' A' ' 81' ' ' ILE . 11.2 m-85 -79.41 -48.3 14.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.112 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.617 ' CD2' HG21 ' A' ' 129' ' ' THR . 22.2 m-85 -54.37 -27.09 33.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.563 1.165 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.69 -28.73 68.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.281 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.99 ' HB2' HG11 ' A' ' 78' ' ' VAL . 35.2 mt-30 -82.43 -35.91 27.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.4 -49.76 76.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.794 HG12 ' HB3' ' A' ' 122' ' ' TYR . 7.1 m -66.37 -36.8 78.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -45.19 -48.29 12.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.463 ' CG ' ' HB3' ' A' ' 75' ' ' ASP . 20.2 mm-40 -70.04 -42.31 73.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.251 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.549 ' HG3' ' CD2' ' A' ' 122' ' ' TYR . 7.6 pt20 -151.77 88.44 4.23 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 110.313 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.476 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.3 Cg_endo -75.0 -2.07 12.06 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.498 1.788 . . . . 0.0 111.01 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -91.97 -12.34 33.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . 0.458 ' ND2' ' NE2' ' A' ' 116' ' ' GLN . 2.8 t-20 -67.23 118.67 10.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 44.4 p -54.97 -48.91 72.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 110.396 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . 0.449 ' CD2' ' H ' ' A' ' 121' ' ' HIS . 11.4 m-70 -49.26 -50.43 38.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.615 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.794 ' HB3' HG12 ' A' ' 113' ' ' VAL . 9.6 m-30 -67.62 -30.62 70.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 110.961 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.918 HD13 ' N ' ' A' ' 124' ' ' LYS . 0.0 OUTLIER -71.49 -53.26 14.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.918 ' N ' HD13 ' A' ' 123' ' ' LEU . 3.1 tptt -59.01 -45.93 89.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.257 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . 0.476 ' O ' ' HG3' ' A' ' 128' ' ' MET . 0.5 OUTLIER -55.39 -45.58 76.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.028 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.47 ' O ' ' OG1' ' A' ' 129' ' ' THR . 14.5 tp -74.27 -29.35 61.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.234 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 123' ' ' LEU . 3.1 tp10 -68.78 -57.47 5.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 110.324 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . 0.494 ' SD ' ' N ' ' A' ' 129' ' ' THR . 3.6 ppp? -55.71 -37.61 68.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 111.049 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.617 HG21 ' CD2' ' A' ' 109' ' ' PHE . 0.2 OUTLIER -53.2 -34.31 56.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.405 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -43.64 -35.69 1.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 23.6 mtmt -114.42 44.92 1.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.767 ' HB1' ' CD1' ' A' ' 102' ' ' PHE . . . -63.28 -44.44 83.08 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' PRO . . . . . 0.639 ' CD ' ' N ' ' A' ' 132' ' ' ALA . 18.3 Cg_endo -75.01 -29.69 7.95 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.483 1.78 . . . . 0.0 111.002 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . 0.465 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 53.6 mm-40 -80.86 -47.24 14.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 110.3 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.694 ' O ' ' HB2' ' A' ' 139' ' ' ALA . 48.8 mt -51.13 -40.86 59.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' HIS . . . . . 0.578 ' HB2' ' CE2' ' A' ' 102' ' ' PHE . 60.2 t-80 -68.07 -44.51 76.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.593 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.541 ' O ' ' CB ' ' A' ' 141' ' ' LYS . . . -61.72 -52.58 63.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 109.308 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.501 ' O ' ' CB ' ' A' ' 142' ' ' GLN . 0.1 OUTLIER -68.56 -26.89 65.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 0.0 110.304 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.694 ' HB2' ' O ' ' A' ' 135' ' ' LEU . . . -66.44 -51.6 55.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.151 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' TYR . . . . . 0.514 ' CE2' ' HA ' ' A' ' 93' ' ' PRO . 5.8 m-85 -81.69 -42.37 20.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.951 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' LYS . . . . . 0.541 ' CB ' ' O ' ' A' ' 137' ' ' ALA . 0.3 OUTLIER -61.16 -48.07 83.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.157 . . . . 0.0 109.307 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . 0.501 ' CB ' ' O ' ' A' ' 138' ' ' GLU . 1.2 tm0? . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.305 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 89.55 1.15 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.49 1.784 . . . . 0.0 111.003 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 62.29 176.55 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 154.55 136.11 2.19 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.482 1.114 . . . . 0.0 110.975 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 85.2 p -73.33 -36.25 66.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 0.757 . . . . 0.0 109.997 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 55.33 90.29 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 110.953 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -173.53 -51.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.8 t -166.18 -41.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 110.375 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 65.0 154.06 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 110.331 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.499 ' O ' ' CB ' ' A' ' 6' ' ' GLU . 31.3 m -89.75 19.68 4.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 110.424 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.499 ' CB ' ' O ' ' A' ' 5' ' ' THR . 0.4 OUTLIER 86.05 -42.48 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.307 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.44 ' N ' ' HG2' ' A' ' 6' ' ' GLU . 18.1 m-30 -49.78 -54.91 16.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 110.984 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -47.42 -40.47 17.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.137 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.6 ttm180 -71.55 -31.5 67.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 110.31 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.724 HG23 ' CD2' ' A' ' 44' ' ' LEU . 30.0 mt -66.6 -39.64 84.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.277 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.8 mt -61.38 -42.72 99.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.574 HD12 ' CD1' ' A' ' 16' ' ' ILE . 0.1 OUTLIER -53.99 -53.21 56.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.607 ' HB3' HG22 ' A' ' 40' ' ' VAL . 26.5 m-85 -63.91 -34.67 78.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 111.028 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -58.1 -59.9 4.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.273 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.463 ' HG3' ' N ' ' A' ' 16' ' ' ILE . 3.2 pt20 -50.56 -33.19 20.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 110.34 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.574 ' CD1' HD12 ' A' ' 12' ' ' LEU . 25.4 mt -71.34 -51.8 31.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.155 . . . . 0.0 109.313 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -51.23 -49.79 60.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.414 1.071 . . . . 0.0 110.274 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.435 ' O ' ' CB ' ' A' ' 22' ' ' ASN . 13.0 pt20 -64.24 -42.88 96.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 110.277 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.468 ' O ' ' CB ' ' A' ' 23' ' ' THR . 0.6 OUTLIER -64.53 -40.02 94.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.905 ' HB1' ' HB2' ' A' ' 37' ' ' TRP . . . -73.48 -57.51 3.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 109.345 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.565 ' HG3' ' CZ2' ' A' ' 37' ' ' TRP . 14.5 tt0 -52.88 -49.83 65.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.275 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.435 ' CB ' ' O ' ' A' ' 18' ' ' GLN . 16.1 t30 -62.73 -40.83 98.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.809 HG21 ' CG ' ' A' ' 33' ' ' ASN . 1.7 m -61.87 -24.79 67.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 110.361 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.571 ' HE1' HD21 ' A' ' 34' ' ' LEU . 7.9 t80 -51.95 -60.1 3.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.961 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.46 -28.4 69.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.64 -30.6 67.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.956 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.408 ' N ' ' O ' ' A' ' 23' ' ' THR . 1.9 t30 -169.46 90.39 0.56 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -1.91 11.84 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.507 1.793 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.898 ' O ' HG21 ' A' ' 70' ' ' ILE . 6.6 mt -89.01 -28.32 20.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -64.26 98.75 0.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.352 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.848 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . . . -71.98 -25.84 62.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 -63.41 -51.33 66.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.809 ' CG ' HG21 ' A' ' 23' ' ' THR . 1.0 OUTLIER -69.55 -32.82 71.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.283 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.885 HD22 ' O ' ' A' ' 63' ' ' LYS . 0.3 OUTLIER -66.93 -39.52 87.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 24.1 m -72.41 -50.46 26.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.399 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.61 ' HD2' ' HB2' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -60.62 -24.32 65.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.294 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.905 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . 14.4 t90 -67.63 -28.18 67.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 107.998 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.604 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -84.47 -55.03 2.81 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.488 1.118 . . . . 0.0 111.008 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -40.23 -44.75 3.03 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.607 HG22 ' HB3' ' A' ' 13' ' ' PHE . 1.3 p -67.46 -47.3 81.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 0.776 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.454 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 13.8 mt -48.36 -44.44 34.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.448 HD13 HD22 ' A' ' 83' ' ' ASN . 13.5 mt -65.48 -40.49 93.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -65.7 -57.23 8.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 110.327 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.724 ' CD2' HG23 ' A' ' 10' ' ' ILE . 5.9 mt -59.81 -29.07 67.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.3 m -61.93 -27.52 68.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.977 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -67.74 -44.34 77.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 110.263 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.618 ' HB3' HD11 ' A' ' 10' ' ' ILE . 52.2 m-85 -79.37 -32.56 43.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 40.5 m-70 -78.8 143.31 36.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.602 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 53' ' ' ALA . 0.4 OUTLIER -44.34 150.32 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 110.009 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.952 ' CG1' HD22 ' A' ' 91' ' ' LEU . 0.1 OUTLIER -51.33 -50.88 26.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.485 ' HA ' ' CE ' ' A' ' 54' ' ' LYS . 0.4 OUTLIER -44.82 -51.13 9.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.972 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.401 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 17.1 m-20 -76.01 -24.95 55.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.632 ' HB3' ' HA ' ' A' ' 50' ' ' ILE . . . -69.23 -42.4 75.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.275 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.517 ' CE ' HG23 ' A' ' 50' ' ' ILE . 5.1 mtmp? -62.71 -57.37 11.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.47 ' HG3' ' N ' ' A' ' 56' ' ' MET . 0.0 OUTLIER -56.06 -33.41 64.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.47 ' N ' ' HG3' ' A' ' 55' ' ' GLN . 16.1 mtp -70.62 -33.79 71.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.958 HG21 ' HB2' ' A' ' 88' ' ' PHE . 44.0 mt -72.75 -51.11 29.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -45.74 -54.14 8.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -65.92 -34.53 78.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 110.267 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.56 -29.4 67.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.328 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.494 HG12 ' CE1' ' A' ' 85' ' ' TYR . 0.4 OUTLIER -75.52 -59.36 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.919 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.47 ' N ' HG22 ' A' ' 61' ' ' ILE . 20.6 p -49.61 -31.13 10.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.466 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.885 ' O ' HD22 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -66.05 -46.06 79.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.341 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.604 ' CE1' ' HA3' ' A' ' 38' ' ' GLY . 23.1 m-85 -61.14 -39.34 89.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.989 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -48.74 -55.37 11.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.33 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.453 ' HA ' HD12 ' A' ' 69' ' ' LEU . 1.0 OUTLIER -58.86 -38.48 78.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.324 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.69 ' HB2' ' HB3' ' A' ' 34' ' ' LEU . . . -64.05 -40.98 97.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.78 HD21 HG23 ' A' ' 78' ' ' VAL . 9.4 mt -63.11 -28.84 70.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.453 HD12 ' HA ' ' A' ' 66' ' ' GLU . 0.6 OUTLIER -69.44 -38.73 77.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.898 HG21 ' O ' ' A' ' 29' ' ' LEU . 5.0 mt -72.79 -41.91 61.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.267 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -143.54 104.37 5.01 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -17.76 19.3 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.449 1.763 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.88 0.01 46.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.095 . . . . 0.0 109.342 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.91 77.51 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.281 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.11 -26.38 11.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.258 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.457 ' HG3' ' CE3' ' A' ' 79' ' ' TRP . 0.8 OUTLIER -70.08 -52.3 24.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.295 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.36 -32.64 39.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 109.323 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.911 HG11 ' HB2' ' A' ' 111' ' ' GLN . 20.5 t -74.56 -52.81 18.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.457 ' CE3' ' HG3' ' A' ' 76' ' ' GLU . 0.4 OUTLIER -59.19 -46.85 87.32 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.579 ' HB3' ' CZ ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -50.29 -53.1 31.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 108.315 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.526 HG21 ' CZ ' ' A' ' 108' ' ' PHE . 56.7 mt -51.93 -38.92 24.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.332 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.483 ' HA3' ' CE1' ' A' ' 109' ' ' PHE . . . -72.99 -42.87 43.0 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.47 1.106 . . . . 0.0 111.017 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.448 HD22 HD13 ' A' ' 42' ' ' LEU . 1.9 t30 -63.78 -29.51 70.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 0.761 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.594 ' HB1' HG23 ' A' ' 57' ' ' ILE . . . -69.63 -54.99 11.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.13 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.494 ' CE1' HG12 ' A' ' 61' ' ' ILE . 21.0 m-30 -56.23 -46.67 79.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 33.8 m -55.38 -46.24 76.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 110.45 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 34.0 t -67.17 -51.42 53.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.017 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.958 ' HB2' HG21 ' A' ' 57' ' ' ILE . 44.2 t80 -55.35 -34.36 64.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 111.007 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.596 ' HB1' ' CE2' ' A' ' 102' ' ' PHE . . . -59.78 -51.58 69.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.409 ' O ' ' CE1' ' A' ' 140' ' ' TYR . 40.7 m-85 -55.07 -23.97 22.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 111.04 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.952 HD22 ' CG1' ' A' ' 50' ' ' ILE . 21.2 mt -90.73 -19.61 23.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.406 ' O ' ' NE2' ' A' ' 136' ' ' HIS . 0.9 OUTLIER -95.84 119.22 65.22 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.402 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.528 ' HA ' ' CE2' ' A' ' 140' ' ' TYR . 18.2 Cg_endo -75.06 -27.18 10.14 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.508 1.794 . . . . 0.0 110.984 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 95' ' ' GLU . 0.1 OUTLIER -59.48 85.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 93' ' ' PRO . 56.5 mt-10 -38.14 -47.31 1.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.0 110.306 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.2 m -53.27 -57.69 9.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.436 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -63.4 -48.8 76.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 110.291 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.43 -53.4 54.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 55.4 mttt -60.31 -51.26 70.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.556 ' CD2' ' C ' ' A' ' 100' ' ' HIS . 0.2 OUTLIER -49.32 -38.47 27.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.598 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -72.65 -52.22 16.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.803 ' HB3' ' HB1' ' A' ' 132' ' ' ALA . 8.4 m-85 -51.11 -42.21 60.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.09 -20.63 60.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.431 HD22 ' HE2' ' A' ' 108' ' ' PHE . 0.3 OUTLIER -75.98 -53.2 8.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.351 179.933 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.761 ' HB1' ' CZ ' ' A' ' 109' ' ' PHE . . . -51.39 -27.13 9.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.408 ' HA ' ' CD2' ' A' ' 109' ' ' PHE . 1.0 OUTLIER -64.73 -54.98 23.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.427 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -52.15 -28.1 16.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 110.302 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.629 ' HD1' HG13 ' A' ' 78' ' ' VAL . 15.5 m-85 -81.87 -44.72 16.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.955 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.761 ' CZ ' ' HB1' ' A' ' 105' ' ' ALA . 23.4 m-30 -54.09 -38.03 64.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 111.02 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -57.95 -26.52 62.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.333 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.911 ' HB2' HG11 ' A' ' 78' ' ' VAL . 17.6 mt-30 -81.09 -44.09 18.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.281 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.15 -53.59 56.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.253 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.734 HG12 ' HB3' ' A' ' 122' ' ' TYR . 15.2 m -62.42 -35.47 69.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.25 -52.52 9.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.342 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -63.07 -44.06 96.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.418 ' O ' ' CG ' ' A' ' 116' ' ' GLN . 1.6 tt0 -156.03 91.46 2.67 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.472 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.2 Cg_endo -74.98 -4.53 15.55 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.484 1.781 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -86.26 0.56 53.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.268 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -75.48 117.54 17.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 81.4 p -57.05 -36.12 70.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.422 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.428 ' CD2' ' H ' ' A' ' 121' ' ' HIS . 8.6 m-70 -64.03 -59.37 4.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.609 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.734 ' HB3' HG12 ' A' ' 113' ' ' VAL . 10.5 m-30 -54.32 -32.64 57.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.998 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.916 ' O ' HD22 ' A' ' 123' ' ' LEU . 0.0 OUTLIER -63.0 -49.72 73.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.713 ' N ' HD13 ' A' ' 123' ' ' LEU . 3.3 tptt -61.99 -43.07 99.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.47 -39.92 81.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.967 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.467 ' O ' HG23 ' A' ' 129' ' ' THR . 5.7 tp -73.23 -56.06 5.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -54.1 -31.42 51.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.241 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 19.7 mmm -58.56 -32.14 68.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.951 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.578 ' HA ' ' HB2' ' A' ' 132' ' ' ALA . 17.8 p -68.24 -30.33 69.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 110.386 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -42.11 -40.62 2.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.87 46.12 2.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.803 ' HB1' ' HB3' ' A' ' 102' ' ' PHE . . . -63.8 -50.07 72.78 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . 0.721 ' HD3' ' HB3' ' A' ' 132' ' ' ALA . 18.3 Cg_endo -75.0 -25.09 12.2 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.488 1.783 . . . . 0.0 111.019 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . 0.469 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 30.7 mm-40 -80.37 -49.95 10.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.684 ' O ' ' HB2' ' A' ' 139' ' ' ALA . 20.7 mt -49.92 -41.25 45.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . 0.55 ' CD2' ' CE1' ' A' ' 140' ' ' TYR . 51.9 t-80 -68.33 -44.45 75.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.66 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.525 ' O ' ' CB ' ' A' ' 141' ' ' LYS . . . -61.87 -52.3 64.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.469 ' CG ' ' O ' ' A' ' 134' ' ' GLN . 0.0 OUTLIER -68.52 -27.69 66.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.582 1.176 . . . . 0.0 110.274 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.684 ' HB2' ' O ' ' A' ' 135' ' ' LEU . . . -66.57 -50.39 63.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . 0.55 ' CE1' ' CD2' ' A' ' 136' ' ' HIS . 5.5 m-85 -81.52 -32.59 32.27 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.479 1.112 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.525 ' CB ' ' O ' ' A' ' 137' ' ' ALA . 0.2 OUTLIER -67.14 -46.9 72.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.25 104.57 11.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.283 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.451 ' O ' HD12 ' A' ' 144' ' ' LEU . . . 173.8 -105.69 0.21 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.527 1.142 . . . . 0.0 111.025 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.451 HD12 ' O ' ' A' ' 143' ' ' GLY . 0.1 OUTLIER -154.16 86.37 1.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 0.779 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -118.28 -109.08 2.42 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.569 1.168 . . . . 0.0 111.036 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -155.88 -108.08 0.28 Allowed Glycine 0 CA--C 1.53 0.978 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 92.0 p -41.52 157.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 0.751 . . . . 0.0 110.024 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 14.2 t-160 -103.76 -64.68 1.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 109.604 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -178.08 177.14 1.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.626 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -133.68 76.71 1.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.624 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -163.76 173.62 12.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.596 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -128.75 173.76 10.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.597 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.567 -179.939 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 95.04 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.529 1.805 . . . . 0.0 111.006 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' -2' ' ' LEU . 5.7 mt -151.36 102.51 2.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -173.1 -104.09 0.17 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.534 1.146 . . . . 0.0 111.027 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 40.8 m -76.75 -21.42 55.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 0.741 . . . . 0.0 109.996 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 63.62 144.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.2 t0 74.23 51.19 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 16.4 p -102.4 -175.92 2.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.405 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -156.96 131.8 8.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.591 ' O ' ' CG ' ' A' ' 6' ' ' GLU . 87.3 m -145.74 18.09 1.46 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.11 . . . . 0.0 110.428 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.591 ' CG ' ' O ' ' A' ' 5' ' ' THR . 0.0 OUTLIER 89.33 -23.86 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 110.267 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.445 ' N ' ' HG3' ' A' ' 6' ' ' GLU . 22.0 m-85 -63.14 -55.32 26.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.433 1.083 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -48.66 -39.39 24.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.323 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -34.75 78.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 110.288 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.709 HG23 ' CD2' ' A' ' 44' ' ' LEU . 21.7 mt -65.73 -40.59 88.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.513 HD23 ' N ' ' A' ' 11' ' ' LEU . 4.7 mt -59.05 -43.16 91.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.877 HD12 HD12 ' A' ' 16' ' ' ILE . 0.2 OUTLIER -57.71 -49.88 75.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.646 ' HD1' HG23 ' A' ' 40' ' ' VAL . 14.5 m-85 -64.03 -27.02 68.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.967 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -67.55 -59.86 3.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.256 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.477 ' HG3' ' N ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -51.78 -28.07 14.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.088 . . . . 0.0 110.308 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.877 HD12 HD12 ' A' ' 12' ' ' LEU . 8.2 mt -71.8 -52.94 22.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.447 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 11.6 ttp180 -49.16 -59.33 3.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 110.339 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.424 ' HG3' ' O ' ' A' ' 15' ' ' GLN . 0.3 OUTLIER -53.5 -39.84 64.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.276 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.469 ' O ' ' CB ' ' A' ' 23' ' ' THR . 0.2 OUTLIER -64.98 -31.73 73.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.27 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.774 ' HB1' ' CG ' ' A' ' 37' ' ' TRP . . . -67.11 -46.0 75.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.65 ' HG2' ' CZ2' ' A' ' 37' ' ' TRP . 1.9 mt-10 -62.55 -41.06 98.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.285 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.413 ' ND2' ' C ' ' A' ' 22' ' ' ASN . 1.1 t30 -75.63 -40.47 56.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.266 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.532 HG21 ' CG ' ' A' ' 33' ' ' ASN . 2.7 m -59.92 -23.08 63.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 110.391 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.446 ' O ' ' CD ' ' A' ' 28' ' ' PRO . 0.1 OUTLIER -55.68 -60.59 3.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 111.036 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.59 -29.15 70.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.6 t -70.74 -39.69 73.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.987 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.407 ' N ' ' O ' ' A' ' 23' ' ' THR . 0.7 OUTLIER -169.24 86.12 0.62 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.446 ' CD ' ' O ' ' A' ' 24' ' ' TYR . 18.2 Cg_endo -75.07 0.61 8.73 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.489 1.784 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.812 ' O ' HG21 ' A' ' 70' ' ' ILE . 15.5 mt -97.21 -10.83 25.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.255 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.491 ' O ' ' CB ' ' A' ' 34' ' ' LEU . 0.8 OUTLIER -68.48 99.55 0.98 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.671 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . . . -70.25 -33.95 72.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -64.03 -55.87 19.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.532 ' CG ' HG21 ' A' ' 23' ' ' THR . 0.3 OUTLIER -67.68 -35.21 78.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 109.319 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.913 HD21 ' HB3' ' A' ' 66' ' ' GLU . 0.3 OUTLIER -64.65 -54.78 26.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.5 m -57.73 -45.67 85.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.392 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.62 -27.06 57.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.347 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.774 ' CG ' ' HB1' ' A' ' 20' ' ' ALA . 5.6 t90 -59.96 -26.65 66.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 108.017 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.585 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -85.16 -61.26 1.75 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.579 1.175 . . . . 0.0 110.982 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -37.53 -44.23 1.22 Allowed Glycine 0 CA--C 1.529 0.953 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.646 HG23 ' HD1' ' A' ' 13' ' ' PHE . 4.8 p -67.5 -50.92 57.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.467 0.745 . . . . 0.0 109.263 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.55 HD13 ' CG ' ' A' ' 59' ' ' GLU . 38.4 mt -49.13 -43.47 41.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.571 HD13 ' OD1' ' A' ' 83' ' ' ASN . 25.8 mt -63.93 -36.94 85.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -65.68 -59.2 4.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.272 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.709 ' CD2' HG23 ' A' ' 10' ' ' ILE . 16.4 mt -62.08 -25.74 67.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.77 -42.71 68.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.031 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -58.22 -36.47 73.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.71 ' CE2' ' CD2' ' A' ' 48' ' ' HIS . 0.0 OUTLIER -80.47 -33.1 36.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.994 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.71 ' CD2' ' CE2' ' A' ' 47' ' ' PHE . 9.1 m-70 -80.42 137.05 36.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.621 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.9 m -47.43 154.33 0.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.028 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.942 ' CG1' HD22 ' A' ' 91' ' ' LEU . 0.2 OUTLIER -51.78 -47.54 39.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 28.3 t -44.82 -56.32 4.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.997 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.0 -39.14 66.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.562 ' HB3' ' HA ' ' A' ' 50' ' ' ILE . . . -46.65 -54.26 9.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.113 . . . . 0.0 109.245 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.06 -58.17 6.08 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -54.09 -42.93 69.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 86.2 mtp -63.26 -32.28 73.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.966 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.943 HG21 ' HB2' ' A' ' 88' ' ' PHE . 18.9 mt -72.76 -49.28 41.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 109.323 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.523 ' O ' HG23 ' A' ' 62' ' ' THR . 5.3 mt-30 -48.21 -53.9 15.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.36 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.55 ' CG ' HD13 ' A' ' 41' ' ' LEU . 3.4 pt-20 -63.12 -35.56 80.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 110.265 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.4 ' O ' ' CD2' ' A' ' 64' ' ' PHE . . . -59.65 -28.88 67.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.25 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.566 HG12 ' CE1' ' A' ' 85' ' ' TYR . 0.7 OUTLIER -78.05 -55.37 10.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.523 HG23 ' O ' ' A' ' 58' ' ' GLN . 50.6 p -50.56 -27.82 7.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.405 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.441 ' HG3' ' CD1' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -71.9 -47.92 49.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.585 ' CE1' ' HA3' ' A' ' 38' ' ' GLY . 22.8 m-85 -58.55 -43.54 89.34 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 111.023 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -48.96 -55.22 12.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 110.316 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.913 ' HB3' HD21 ' A' ' 34' ' ' LEU . 2.9 tp10 -60.39 -45.68 92.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.314 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.863 ' HB2' ' HG ' ' A' ' 34' ' ' LEU . . . -55.52 -44.79 76.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.588 HD21 HG23 ' A' ' 78' ' ' VAL . 6.5 mt -64.1 -33.21 75.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.75 -27.41 69.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.812 HG21 ' O ' ' A' ' 29' ' ' LEU . 4.4 mt -80.05 -39.8 19.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -155.4 114.58 2.28 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -5.0 16.22 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.539 1.81 . . . . 0.0 110.992 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 75' ' ' ASP . 0.9 OUTLIER -82.51 -6.94 59.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 9.2 tptp -66.93 73.27 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 109.356 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' A' ' 75' ' ' ASP . 0.7 OUTLIER -52.16 -34.11 43.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.427 ' HG3' ' CE3' ' A' ' 79' ' ' TRP . 40.0 tt0 -64.11 -49.24 72.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.306 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.52 -32.31 39.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.963 HG11 ' HB2' ' A' ' 111' ' ' GLN . 28.5 t -74.49 -52.63 19.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.427 ' CE3' ' HG3' ' A' ' 76' ' ' GLU . 0.5 OUTLIER -59.11 -48.24 82.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 108.01 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.578 ' HB3' ' CZ ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -50.74 -51.92 45.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 108.316 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.572 HG21 ' CZ ' ' A' ' 108' ' ' PHE . 41.5 mt -51.97 -45.17 40.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.353 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -66.62 -41.21 94.11 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.481 1.113 . . . . 0.0 111.015 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.571 ' OD1' HD13 ' A' ' 42' ' ' LEU . 16.6 t-20 -64.4 -37.46 87.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 0.738 . . . . 0.0 109.298 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.56 ' HB1' HG23 ' A' ' 57' ' ' ILE . . . -62.6 -55.18 29.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.566 ' CE1' HG12 ' A' ' 61' ' ' ILE . 21.3 m-30 -57.18 -42.34 80.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.168 . . . . 0.0 110.994 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.681 HG23 ' CE1' ' A' ' 102' ' ' PHE . 41.7 m -59.26 -51.93 67.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 110.445 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.0 m -61.63 -50.6 71.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.967 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.943 ' HB2' HG21 ' A' ' 57' ' ' ILE . 41.0 t80 -55.31 -30.98 61.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 111.029 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 86' ' ' THR . . . -64.08 -48.91 74.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.44 ' O ' ' CE1' ' A' ' 140' ' ' TYR . 35.0 m-85 -54.74 -25.99 31.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.942 HD22 ' CG1' ' A' ' 50' ' ' ILE . 7.7 mt -89.25 -18.75 26.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.236 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.2 m -93.92 118.64 67.31 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.37 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.558 ' HA ' ' CE2' ' A' ' 140' ' ' TYR . 18.2 Cg_endo -75.01 -27.46 9.97 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.513 1.796 . . . . 0.0 111.009 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 95' ' ' GLU . 13.8 m-20 -59.36 85.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 93' ' ' PRO . 43.1 mt-10 -38.81 -47.68 1.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.337 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.505 HG23 ' N ' ' A' ' 97' ' ' GLU . 14.0 t -52.86 -53.48 48.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 110.391 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.505 ' N ' HG23 ' A' ' 96' ' ' THR . 1.8 mt-10 -66.96 -49.6 64.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.253 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -53.95 -53.16 56.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.44 -49.82 76.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.555 ' CD2' ' C ' ' A' ' 100' ' ' HIS . 0.2 OUTLIER -51.2 -43.54 61.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.617 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -64.09 -54.02 40.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.897 ' HB3' ' HB1' ' A' ' 132' ' ' ALA . 5.4 m-85 -51.65 -41.85 61.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.1 . . . . 0.0 110.981 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -73.01 -19.61 61.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.485 HD23 ' HG2' ' A' ' 107' ' ' GLN . 0.0 OUTLIER -78.69 -47.51 16.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.939 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.692 ' HB1' ' CZ ' ' A' ' 109' ' ' PHE . . . -59.09 -23.96 62.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.454 ' HA ' ' CD2' ' A' ' 109' ' ' PHE . 2.2 m -61.67 -55.19 33.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.388 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.485 ' HG2' HD23 ' A' ' 104' ' ' LEU . 0.8 OUTLIER -55.35 -23.9 26.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 110.305 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.758 ' HD1' HG13 ' A' ' 78' ' ' VAL . 8.3 m-85 -83.01 -44.93 14.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.164 . . . . 0.0 110.964 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.692 ' CZ ' ' HB1' ' A' ' 105' ' ' ALA . 21.0 m-30 -54.08 -30.09 47.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 110.996 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.93 -35.27 76.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.142 . . . . 0.0 110.327 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.963 ' HB2' HG11 ' A' ' 78' ' ' VAL . 33.9 mt-30 -77.0 -37.51 54.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 110.325 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.493 ' O ' ' CD2' ' A' ' 122' ' ' TYR . . . -62.61 -53.16 58.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.873 HG12 ' HB3' ' A' ' 122' ' ' TYR . 5.0 m -69.79 -36.16 68.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.402 ' OD1' ' OE2' ' A' ' 115' ' ' GLU . 0.0 OUTLIER -44.62 -44.41 8.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.407 ' O ' ' OE1' ' A' ' 116' ' ' GLN . 60.7 mm-40 -75.1 -43.64 51.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 110.312 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.407 ' OE1' ' O ' ' A' ' 115' ' ' GLU . 13.6 mm100 -142.51 83.84 11.6 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.296 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.478 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.5 Cg_endo -74.96 -2.72 12.91 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.514 1.797 . . . . 0.0 111.046 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -97.42 -12.06 23.16 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -65.49 127.63 32.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 53.1 p -57.11 -54.26 48.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 110.381 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.453 ' CD2' ' H ' ' A' ' 121' ' ' HIS . 10.1 m-70 -50.57 -58.61 5.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.623 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.873 ' HB3' HG12 ' A' ' 113' ' ' VAL . 9.6 m-30 -55.68 -25.58 40.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 111.087 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.872 ' O ' HD22 ' A' ' 123' ' ' LEU . 0.0 OUTLIER -75.43 -51.72 12.41 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.76 ' N ' HD13 ' A' ' 123' ' ' LEU . 0.0 OUTLIER -60.89 -45.05 96.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.87 -36.18 72.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.036 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 45.9 tp -73.21 -44.96 58.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -67.52 -33.8 75.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 110.323 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . 0.413 ' N ' ' O ' ' A' ' 124' ' ' LYS . 0.0 OUTLIER -50.3 -30.42 11.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.606 ' HA ' ' HB2' ' A' ' 132' ' ' ALA . 29.9 p -67.91 -29.6 68.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.408 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -48.51 -37.08 16.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 10.4 mttm -124.32 42.63 3.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.897 ' HB1' ' HB3' ' A' ' 102' ' ' PHE . . . -63.16 -54.35 46.29 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . 0.855 ' HD3' ' HB3' ' A' ' 132' ' ' ALA . 18.4 Cg_endo -74.96 -22.72 14.59 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.515 1.797 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . 0.47 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 5.4 tp-100 -80.26 -51.74 8.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.331 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.698 ' O ' ' HB2' ' A' ' 139' ' ' ALA . 45.1 mt -48.93 -41.44 33.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . 0.482 ' CD2' ' CE1' ' A' ' 140' ' ' TYR . 43.9 t-80 -68.72 -44.48 73.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.592 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.524 ' O ' ' CB ' ' A' ' 141' ' ' LYS . . . -61.9 -52.09 65.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.47 ' CG ' ' O ' ' A' ' 134' ' ' GLN . 0.0 OUTLIER -68.69 -27.38 65.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.318 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.698 ' HB2' ' O ' ' A' ' 135' ' ' LEU . . . -65.9 -50.07 65.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . 0.558 ' CE2' ' HA ' ' A' ' 93' ' ' PRO . 5.6 m-85 -82.77 -32.29 27.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.957 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.524 ' CB ' ' O ' ' A' ' 137' ' ' ALA . 0.0 OUTLIER -68.16 -48.1 66.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -85.63 131.14 34.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.284 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -82.5 -110.89 0.45 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 3.6 tt 74.16 -59.55 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 0.0 109.324 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -41.64 -69.72 0.52 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 172.35 -110.31 0.34 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 67.55 131.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 0.769 . . . . 0.0 109.975 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 58.66 87.77 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.629 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 33.3 m-70 60.49 159.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.575 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 71.4 m80 -120.58 -65.45 1.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.608 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 74.5 m80 -138.24 -64.37 0.53 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.602 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -97.2 132.07 43.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.637 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 42.6 t-80 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.567 -179.953 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 120.62 6.14 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.467 1.772 . . . . 0.0 110.998 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -156.61 -66.24 0.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 130.48 79.37 0.2 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.459 1.099 . . . . 0.0 111.033 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 22.3 p -79.39 -36.97 38.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 0.755 . . . . 0.0 110.029 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.6 mtt -80.39 130.44 35.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 111.013 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 59.28 179.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.9 p -90.26 -25.6 20.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.381 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 61.83 135.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 110.303 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 27.2 m -158.98 -60.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.422 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -169.97 -48.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.312 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.624 ' HA ' HD12 ' A' ' 10' ' ' ILE . 19.1 m-85 -46.23 -55.61 6.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 111.031 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -49.1 -43.85 41.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.487 ' HG2' ' CE2' ' A' ' 13' ' ' PHE . 13.7 ttm105 -70.69 -35.67 72.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.675 HG23 ' CD2' ' A' ' 44' ' ' LEU . 40.5 mt -59.83 -42.46 89.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.406 ' N ' HD23 ' A' ' 11' ' ' LEU . 7.4 mt -53.62 -33.03 53.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.879 HD12 HD12 ' A' ' 16' ' ' ILE . 0.2 OUTLIER -72.84 -47.65 44.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.614 ' HD1' HG23 ' A' ' 40' ' ' VAL . 11.1 m-85 -63.88 -38.16 90.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.961 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.514 ' HG2' HD21 ' A' ' 44' ' ' LEU . 4.3 mm-40 -56.94 -60.14 4.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.458 ' CG ' ' O ' ' A' ' 12' ' ' LEU . 9.3 pt20 -50.44 -32.7 18.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 110.321 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.879 HD12 HD12 ' A' ' 12' ' ' LEU . 19.5 mt -71.37 -53.43 21.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.517 ' O ' ' CB ' ' A' ' 21' ' ' GLU . 9.6 ttp180 -56.32 -37.94 70.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.34 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.407 ' HB2' HH21 ' A' ' 17' ' ' ARG . 12.7 tp60 -67.62 -48.81 65.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 110.292 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.502 ' O ' ' CB ' ' A' ' 23' ' ' THR . 0.5 OUTLIER -67.44 -43.3 81.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.798 ' HB1' ' HB2' ' A' ' 37' ' ' TRP . . . -66.85 -51.48 55.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.556 ' HG3' ' CZ2' ' A' ' 37' ' ' TRP . 17.9 tt0 -61.05 -41.52 96.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.313 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -75.5 -26.01 57.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.502 ' CB ' ' O ' ' A' ' 19' ' ' ASP . 1.1 m -66.19 -24.59 66.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.377 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -52.72 -60.46 3.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.948 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.17 -27.9 69.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.06 -38.24 72.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 110.005 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 23' ' ' THR . 0.7 OUTLIER -169.38 91.8 0.56 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 109.336 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 0.6 8.69 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.512 1.796 . . . . 0.0 110.982 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.87 ' O ' HG21 ' A' ' 70' ' ' ILE . 7.8 mt -88.53 -30.28 19.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.16 99.13 0.25 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.343 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.821 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . . . -72.81 -37.71 67.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -50.88 -54.77 21.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.427 ' CG ' HG21 ' A' ' 23' ' ' THR . 0.8 OUTLIER -66.18 -37.11 84.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.705 ' HB3' ' HB2' ' A' ' 67' ' ' ALA . 0.5 OUTLIER -57.76 -56.21 24.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.458 ' OG1' ' HB2' ' A' ' 77' ' ' ALA . 1.7 m -58.83 -36.91 75.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.374 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.47 -27.24 64.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.798 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . 13.0 t90 -67.54 -26.95 66.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 107.96 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.576 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -83.53 -58.06 2.35 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.547 1.154 . . . . 0.0 110.975 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 38' ' ' GLY . . . -37.69 -45.73 1.51 Allowed Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.614 HG23 ' HD1' ' A' ' 13' ' ' PHE . 0.8 OUTLIER -67.32 -46.83 82.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.472 0.748 . . . . 0.0 109.297 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.548 HD11 ' OE2' ' A' ' 59' ' ' GLU . 12.5 mt -48.74 -44.3 38.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 14.0 mt -65.5 -38.2 89.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.4 ' HA ' ' OE1' ' A' ' 43' ' ' GLU . 5.1 mm-40 -65.86 -58.51 5.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 110.262 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.675 ' CD2' HG23 ' A' ' 10' ' ' ILE . 3.3 mt -61.86 -26.43 68.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.6 m -58.46 -36.16 73.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.0 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.46 ' HG2' ' N ' ' A' ' 47' ' ' PHE . 4.7 pt20 -67.95 -37.0 81.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.33 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.46 ' N ' ' HG2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -80.65 -19.33 45.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.978 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -78.78 -92.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.582 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.1 t 172.04 148.83 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.967 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.947 ' CG1' HD22 ' A' ' 91' ' ' LEU . 0.1 OUTLIER -45.57 -50.37 3.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.526 ' HA ' ' CE ' ' A' ' 54' ' ' LYS . 41.1 t -43.45 -56.33 3.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.992 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -77.47 -43.57 31.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.636 ' HB3' ' HA ' ' A' ' 50' ' ' ILE . . . -45.43 -51.32 11.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.526 ' CE ' ' HA ' ' A' ' 51' ' ' SER . 6.0 mtmp? -48.75 -46.08 40.62 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 109.236 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -73.79 -50.62 19.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 110.284 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 98.2 mtp -53.63 -29.73 39.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 111.02 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.865 HG21 ' HB2' ' A' ' 88' ' ' PHE . 20.3 mt -72.73 -50.75 31.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.548 ' O ' HG23 ' A' ' 62' ' ' THR . 6.3 mt-30 -45.45 -54.82 6.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.149 . . . . 0.0 110.272 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.548 ' OE2' HD11 ' A' ' 41' ' ' LEU . 3.9 pt-20 -64.79 -36.53 84.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 110.276 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.426 ' O ' ' CD2' ' A' ' 64' ' ' PHE . . . -59.53 -28.74 67.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.417 HG22 ' N ' ' A' ' 62' ' ' THR . 0.6 OUTLIER -81.13 -56.26 6.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.288 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.548 HG23 ' O ' ' A' ' 58' ' ' GLN . 70.3 p -49.78 -25.94 3.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.414 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.671 ' O ' HD22 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -73.78 -48.77 29.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.576 ' CE1' ' HA3' ' A' ' 38' ' ' GLY . 22.4 m-85 -56.52 -44.22 80.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -50.78 -55.42 16.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.311 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.451 ' HA ' HD12 ' A' ' 69' ' ' LEU . 1.5 tp10 -56.43 -36.77 69.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.577 1.173 . . . . 0.0 110.301 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.726 ' HA ' HD12 ' A' ' 70' ' ' ILE . . . -64.81 -46.51 81.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.813 HD21 HG23 ' A' ' 78' ' ' VAL . 16.3 mt -57.48 -32.86 67.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.451 HD12 ' HA ' ' A' ' 66' ' ' GLU . 0.7 OUTLIER -64.69 -33.73 76.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.137 . . . . 0.0 109.341 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.87 HG21 ' O ' ' A' ' 29' ' ' LEU . 6.3 mt -74.78 -44.08 46.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -151.8 112.29 2.93 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.128 . . . . 0.0 109.297 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -7.43 19.11 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.485 1.782 . . . . 0.0 110.984 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 75' ' ' ASP . 1.3 mttt -82.81 -7.21 59.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.407 ' HB3' ' HB3' ' A' ' 77' ' ' ALA . 2.3 tptt -65.72 74.9 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.4 OUTLIER -51.9 -28.48 16.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.254 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.509 ' HG3' ' CE3' ' A' ' 79' ' ' TRP . 25.4 tt0 -68.7 -51.24 43.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.449 1.093 . . . . 0.0 110.301 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.458 ' HB2' ' OG1' ' A' ' 35' ' ' THR . . . -52.26 -32.28 36.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.333 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.965 HG11 ' HB2' ' A' ' 111' ' ' GLN . 19.1 t -74.68 -52.71 18.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.509 ' CE3' ' HG3' ' A' ' 76' ' ' GLU . 0.4 OUTLIER -59.26 -46.08 89.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 108.022 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.561 ' HB3' ' CZ ' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -50.06 -52.63 32.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 108.306 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.697 HG21 ' CZ ' ' A' ' 108' ' ' PHE . 66.8 mt -51.99 -37.21 21.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.486 ' HA3' ' CE1' ' A' ' 109' ' ' PHE . . . -72.57 -43.02 45.82 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.524 1.14 . . . . 0.0 110.992 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 -64.43 -34.45 78.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 0.775 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.496 ' HB1' HG23 ' A' ' 57' ' ' ILE . . . -69.83 -54.56 13.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.508 ' CE2' HD13 ' A' ' 104' ' ' LEU . 4.5 m-85 -57.89 -46.55 84.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.977 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.476 HG23 ' CE1' ' A' ' 102' ' ' PHE . 53.1 m -55.83 -46.84 78.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 110.368 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 39.2 m -66.7 -51.62 53.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 110.018 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.865 ' HB2' HG21 ' A' ' 57' ' ' ILE . 30.6 t80 -53.74 -34.01 57.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.58 -50.39 73.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -56.09 -25.25 44.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.947 HD22 ' CG1' ' A' ' 50' ' ' ILE . 0.6 OUTLIER -92.16 16.99 10.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.323 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.477 HG22 ' HB2' ' A' ' 98' ' ' ALA . 0.9 OUTLIER -133.88 118.17 14.22 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.398 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.502 ' HA ' ' CE2' ' A' ' 140' ' ' TYR . 18.3 Cg_endo -75.02 -24.96 12.28 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.479 1.778 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.87 85.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 93' ' ' PRO . 92.4 mt-10 -39.16 -47.61 1.62 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.291 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.487 HG23 ' N ' ' A' ' 97' ' ' GLU . 15.2 t -52.81 -52.83 55.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 110.402 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.487 ' N ' HG23 ' A' ' 96' ' ' THR . 3.4 mt-10 -68.49 -49.03 62.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.289 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.477 ' HB2' HG22 ' A' ' 92' ' ' THR . . . -53.75 -52.98 58.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.248 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.1 tttm -60.26 -51.88 67.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.549 ' CD2' ' C ' ' A' ' 100' ' ' HIS . 0.2 OUTLIER -49.52 -43.65 45.72 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.098 . . . . 0.0 109.652 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.48 ' ND2' ' CD1' ' A' ' 85' ' ' TYR . 0.9 OUTLIER -62.95 -56.63 15.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.848 ' HB3' ' HB1' ' A' ' 132' ' ' ALA . 8.6 m-85 -50.98 -41.46 59.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 111.01 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -72.53 -20.5 61.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.508 HD13 ' CE2' ' A' ' 85' ' ' TYR . 0.0 OUTLIER -77.13 -48.32 18.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.682 ' HB1' ' CZ ' ' A' ' 109' ' ' PHE . . . -59.97 -24.33 64.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.7 m -63.22 -54.79 31.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.137 . . . . 0.0 110.447 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.427 ' HG2' HD23 ' A' ' 104' ' ' LEU . 0.7 OUTLIER -56.87 -23.01 41.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.246 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.697 ' CZ ' HG21 ' A' ' 81' ' ' ILE . 13.7 m-85 -82.24 -47.93 11.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.682 ' CZ ' ' HB1' ' A' ' 105' ' ' ALA . 21.2 m-85 -53.83 -37.04 63.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 0.0 110.991 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.04 -29.6 60.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.29 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.965 ' HB2' HG11 ' A' ' 78' ' ' VAL . 38.2 mt-30 -80.79 -43.19 20.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 110.307 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.69 -44.34 97.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.769 HG12 ' HB3' ' A' ' 122' ' ' TYR . 5.7 m -71.63 -37.64 64.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.81 -49.09 15.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.341 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -64.71 -40.94 96.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 110.246 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -160.06 90.69 1.78 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 110.304 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.465 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.0 Cg_endo -75.07 -3.53 14.05 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.512 1.796 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -88.44 -2.55 58.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -74.1 116.82 15.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 66.5 p -58.2 -23.79 56.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 110.383 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.446 ' CD2' ' H ' ' A' ' 121' ' ' HIS . 4.4 m-70 -71.61 -59.13 2.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.589 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.769 ' HB3' HG12 ' A' ' 113' ' ' VAL . 7.2 m-30 -60.88 -35.17 75.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 111.017 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.92 ' O ' HD22 ' A' ' 123' ' ' LEU . 0.0 OUTLIER -55.48 -46.03 76.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.784 ' N ' HD13 ' A' ' 123' ' ' LEU . 1.7 tptm -63.36 -41.08 98.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.528 ' O ' HG23 ' A' ' 129' ' ' THR . 0.6 OUTLIER -58.63 -40.34 83.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.962 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 16.6 tp -72.59 -42.89 64.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.258 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.81 -32.91 74.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.32 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 31.1 mmm -58.72 -32.8 69.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.683 ' HA ' ' HB2' ' A' ' 132' ' ' ALA . 15.8 p -68.62 -33.71 74.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.385 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -42.06 -39.86 2.08 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -125.29 44.87 2.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.848 ' HB1' ' HB3' ' A' ' 102' ' ' PHE . . . -64.24 -51.14 63.77 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . 0.753 ' HD3' ' HB3' ' A' ' 132' ' ' ALA . 18.4 Cg_endo -75.01 -25.06 12.2 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.457 1.767 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . 0.44 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 64.2 mm-40 -80.27 -50.78 9.73 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 110.292 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.708 ' O ' ' HB2' ' A' ' 139' ' ' ALA . 40.5 mt -48.98 -39.16 25.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . 0.638 ' CD2' ' CE1' ' A' ' 140' ' ' TYR . 48.3 t-80 -70.24 -44.74 67.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.569 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.522 ' O ' ' CB ' ' A' ' 141' ' ' LYS . . . -61.77 -51.77 66.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.466 ' CG ' ' HA ' ' A' ' 135' ' ' LEU . 0.1 OUTLIER -68.44 -27.58 66.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.292 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.708 ' HB2' ' O ' ' A' ' 135' ' ' LEU . . . -66.61 -50.3 63.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . 0.638 ' CE1' ' CD2' ' A' ' 136' ' ' HIS . 5.2 m-85 -81.5 -35.5 30.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 110.962 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.522 ' CB ' ' O ' ' A' ' 137' ' ' ALA . 0.1 OUTLIER -62.29 -47.63 83.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -85.34 123.27 30.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.288 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -125.37 64.88 0.56 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.465 1.103 . . . . 0.0 110.988 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 4.4 mt -148.84 -62.09 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 0.772 . . . . 0.0 109.312 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 61.53 114.84 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.536 1.148 . . . . 0.0 111.016 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -97.42 -177.86 34.21 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 149' ' ' HIS . 0.4 OUTLIER -169.15 174.76 6.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 0.781 . . . . 0.0 110.008 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 65.29 -76.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.585 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . 0.429 ' N ' ' O ' ' A' ' 147' ' ' SER . 54.3 m-70 -87.0 120.11 27.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.586 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . 0.429 ' CD2' ' O ' ' A' ' 150' ' ' HIS . 0.6 OUTLIER -95.04 65.75 2.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.615 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -63.79 173.93 1.6 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.572 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 -140.9 142.14 34.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.571 1.169 . . . . 0.0 109.546 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.633 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -57.68 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.508 1.794 . . . . 0.0 110.987 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 41.25 86.8 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -152.42 -151.78 5.76 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.514 1.134 . . . . 0.0 111.037 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.05 -27.34 33.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 0.766 . . . . 0.0 110.008 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER 58.88 98.87 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.466 1.104 . . . . 0.0 110.993 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -68.03 178.12 1.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.52 163.29 25.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 110.404 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.96 143.2 43.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 110.284 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.535 ' O ' ' CB ' ' A' ' 6' ' ' GLU . 2.1 p -145.61 -56.46 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.443 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.863 ' OE2' HD11 ' A' ' 10' ' ' ILE . 0.0 OUTLIER 89.51 -24.78 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.16 . . . . 0.0 110.247 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.457 ' HA ' HD12 ' A' ' 10' ' ' ILE . 24.6 m-85 -64.08 -54.22 37.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 111.029 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -47.77 -32.87 6.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.457 ' CG ' ' CE2' ' A' ' 13' ' ' PHE . 9.9 ttm180 -75.9 -33.2 59.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.305 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.863 HD11 ' OE2' ' A' ' 6' ' ' GLU . 72.4 mt -59.09 -44.71 92.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 0.0 109.339 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.51 HD23 ' N ' ' A' ' 11' ' ' LEU . 5.2 mt -55.24 -40.33 70.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.579 ' CD1' HD11 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -61.85 -49.15 77.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.51 ' HD1' HG23 ' A' ' 40' ' ' VAL . 11.3 m-85 -63.79 -26.81 68.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -66.24 -53.26 39.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.13 . . . . 0.0 110.292 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.523 ' HG3' ' N ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -57.75 -29.81 65.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.266 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.579 HD11 ' CD1' ' A' ' 12' ' ' LEU . 55.9 mt -71.63 -50.76 37.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.0 ttm180 -50.67 -47.17 58.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.268 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.436 ' HG3' ' N ' ' A' ' 19' ' ' ASP . 19.0 pt20 -67.25 -43.86 80.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.329 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.46 ' O ' ' CB ' ' A' ' 23' ' ' THR . 0.2 OUTLIER -64.62 -40.39 95.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.952 ' HB1' ' HB2' ' A' ' 37' ' ' TRP . . . -73.52 -51.46 16.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.578 ' HG3' ' CZ2' ' A' ' 37' ' ' TRP . 16.1 tt0 -58.94 -45.59 90.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 110.347 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 21.0 t30 -66.0 -52.15 51.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.266 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.46 ' CB ' ' O ' ' A' ' 19' ' ' ASP . 16.3 m -53.58 -23.84 12.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.4 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.429 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 6.0 t80 -52.46 -56.93 11.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.69 -32.36 70.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.352 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.48 -21.28 62.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.029 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 23' ' ' THR . 1.8 m120 -169.66 82.58 0.63 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -1.75 11.63 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.52 1.8 . . . . 0.0 111.036 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.721 ' O ' HG21 ' A' ' 70' ' ' ILE . 9.3 mt -100.47 8.43 43.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -90.49 98.74 11.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.692 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . . . -69.7 -24.3 63.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.243 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -72.97 -49.71 27.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.425 ' OD1' ' HA ' ' A' ' 20' ' ' ALA . 7.8 t-20 -64.35 -38.02 89.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.796 ' HB3' ' HB2' ' A' ' 67' ' ' ALA . 0.7 OUTLIER -64.01 -48.69 75.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.281 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.411 HG21 ' HB3' ' A' ' 76' ' ' GLU . 62.4 m -60.35 -39.37 86.91 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.51 1.131 . . . . 0.0 110.415 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.3 ttm180 -70.48 -47.2 61.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.301 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.952 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . 14.3 t90 -50.08 -27.12 5.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 107.993 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.579 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -84.9 -58.2 2.16 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.515 1.135 . . . . 0.0 110.994 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -40.22 -43.95 2.82 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.51 HG23 ' HD1' ' A' ' 13' ' ' PHE . 1.0 OUTLIER -67.37 -48.1 78.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.498 0.763 . . . . 0.0 109.341 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.488 HD22 ' SD ' ' A' ' 56' ' ' MET . 14.0 mt -48.22 -42.84 31.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.6 mt -65.53 -37.94 88.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -65.69 -58.89 4.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.276 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.628 ' CD2' HG23 ' A' ' 10' ' ' ILE . 7.6 mt -61.99 -25.37 67.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.89 -37.59 85.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.981 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.464 ' HG2' ' N ' ' A' ' 47' ' ' PHE . 0.6 OUTLIER -62.18 -37.06 83.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 110.32 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.723 ' CZ ' ' CE1' ' A' ' 48' ' ' HIS . 0.0 OUTLIER -80.73 -31.11 36.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.723 ' CE1' ' CZ ' ' A' ' 47' ' ' PHE . 14.0 m-70 -79.57 148.81 31.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.579 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 53' ' ' ALA . 49.1 m -51.37 158.71 0.8 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 110.04 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.903 ' CG1' HD22 ' A' ' 91' ' ' LEU . 0.2 OUTLIER -53.54 -48.67 58.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.277 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.8 -56.39 10.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 110.004 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.497 ' O ' ' CG ' ' A' ' 56' ' ' MET . 21.6 m-20 -69.1 -24.87 64.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.499 ' HB3' ' HA ' ' A' ' 50' ' ' ILE . . . -67.25 -48.7 66.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.484 ' CD ' HG23 ' A' ' 50' ' ' ILE . 0.3 OUTLIER -59.32 -58.71 7.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.264 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.42 ' HG2' ' O ' ' A' ' 52' ' ' ASP . 1.9 pt20 -53.9 -39.74 66.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 110.327 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.497 ' CG ' ' O ' ' A' ' 52' ' ' ASP . 8.0 mmm -70.49 -33.17 70.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 111.0 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.859 HG21 ' HB2' ' A' ' 88' ' ' PHE . 19.3 mt -72.97 -46.85 50.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.422 ' O ' HG23 ' A' ' 62' ' ' THR . 1.9 mt-30 -49.31 -54.95 14.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 110.322 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.541 ' HG3' ' HZ1' ' A' ' 63' ' ' LYS . 4.3 pt-20 -62.38 -34.73 77.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.274 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.453 ' N ' ' HG2' ' A' ' 59' ' ' GLU . . . -59.73 -30.01 68.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.346 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -79.56 -54.31 11.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.244 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.422 HG23 ' O ' ' A' ' 58' ' ' GLN . 72.2 p -49.93 -30.75 10.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 110.379 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.735 ' O ' HD22 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -69.46 -49.17 57.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.579 ' CE1' ' HA3' ' A' ' 38' ' ' GLY . 22.4 m-85 -56.17 -42.44 77.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -49.36 -55.3 13.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.108 . . . . 0.0 110.297 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.526 ' HA ' HD12 ' A' ' 69' ' ' LEU . 2.7 tp10 -60.2 -34.02 73.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 110.3 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.796 ' HB2' ' HB3' ' A' ' 34' ' ' LEU . . . -64.81 -44.77 88.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.556 HD21 HG23 ' A' ' 78' ' ' VAL . 12.7 mt -59.72 -28.77 67.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.526 HD12 ' HA ' ' A' ' 66' ' ' GLU . 0.8 OUTLIER -70.07 -33.98 72.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.721 HG21 ' O ' ' A' ' 29' ' ' LEU . 6.0 mt -74.5 -45.38 45.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -145.95 111.32 4.45 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -13.69 21.45 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.482 1.78 . . . . 0.0 110.994 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.5 ptmt -82.77 1.25 39.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.0 tptp -73.44 70.86 1.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.405 ' CG ' ' CB ' ' A' ' 115' ' ' GLU . 0.5 OUTLIER -51.59 -31.91 26.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 109.276 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.468 ' HG3' ' CE3' ' A' ' 79' ' ' TRP . 3.7 tp10 -62.97 -47.69 82.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.269 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.4 -33.02 58.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.967 HG11 ' HB2' ' A' ' 111' ' ' GLN . 41.5 t -74.63 -53.23 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.468 ' CE3' ' HG3' ' A' ' 76' ' ' GLU . 0.8 OUTLIER -58.54 -50.96 71.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 108.02 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.542 ' HG ' ' HZ ' ' A' ' 64' ' ' PHE . 0.5 OUTLIER -50.62 -50.47 54.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 108.318 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.842 HG21 ' CZ ' ' A' ' 108' ' ' PHE . 29.7 mt -51.93 -38.57 23.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -71.6 -38.52 61.49 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -64.63 -35.12 79.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 0.734 . . . . 0.0 109.305 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.57 ' HB1' HG23 ' A' ' 57' ' ' ILE . . . -68.61 -55.45 11.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.35 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.429 ' HB2' ' HB2' ' A' ' 105' ' ' ALA . 8.6 m-85 -55.89 -40.2 72.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 111.023 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 49.5 m -61.44 -52.25 65.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 110.4 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 32.7 t -60.75 -52.0 66.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.969 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.859 ' HB2' HG21 ' A' ' 57' ' ' ILE . 53.9 t80 -52.5 -34.19 48.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 111.008 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.492 ' HB2' ' HB3' ' A' ' 101' ' ' ASN . . . -63.97 -50.24 69.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.401 ' O ' ' OH ' ' A' ' 140' ' ' TYR . 30.7 m-85 -56.39 -17.62 8.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.903 HD22 ' CG1' ' A' ' 50' ' ' ILE . 34.1 mt -95.83 -19.07 19.89 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.496 1.122 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.435 HG22 ' HB2' ' A' ' 98' ' ' ALA . 0.9 OUTLIER -97.22 116.14 65.9 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.351 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.44 ' O ' ' N ' ' A' ' 95' ' ' GLU . 18.3 Cg_endo -74.97 -24.83 12.49 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.516 1.798 . . . . 0.0 110.977 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -59.06 86.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.275 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 93' ' ' PRO . 43.0 mt-10 -40.95 -47.53 3.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.312 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.429 ' CG2' ' N ' ' A' ' 97' ' ' GLU . 1.8 t -53.09 -46.53 68.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.374 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.429 ' N ' ' CG2' ' A' ' 96' ' ' THR . 5.5 mm-40 -75.87 -50.07 16.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.435 ' HB2' HG22 ' A' ' 92' ' ' THR . . . -54.27 -54.03 45.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.25 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.6 ttpt -53.22 -47.05 69.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -58.98 -45.66 90.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.597 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.492 ' HB3' ' HB2' ' A' ' 89' ' ' ALA . 0.4 OUTLIER -61.03 -53.98 50.51 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.895 ' CD1' ' HB1' ' A' ' 132' ' ' ALA . 8.8 m-85 -50.71 -42.54 57.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.099 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.79 -20.95 59.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 104' ' ' LEU . 0.0 OUTLIER -73.52 -51.55 16.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.252 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.429 ' HB2' ' HB2' ' A' ' 85' ' ' TYR . . . -59.65 -24.82 64.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.337 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.6 m -64.97 -54.74 25.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.415 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.414 ' CG ' ' O ' ' A' ' 104' ' ' LEU . 1.2 pt20 -53.79 -23.43 12.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.842 ' CZ ' HG21 ' A' ' 81' ' ' ILE . 4.9 m-85 -82.48 -47.95 11.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 111.037 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.779 ' CD2' HG21 ' A' ' 129' ' ' THR . 13.1 m-85 -54.11 -25.58 22.73 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.403 ' NE2' ' HA ' ' A' ' 110' ' ' GLN . 1.0 OUTLIER -67.21 -30.66 70.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 110.268 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.967 ' HB2' HG11 ' A' ' 78' ' ' VAL . 33.3 mt-30 -81.26 -35.11 31.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.328 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.2 -50.35 72.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.895 HG12 ' HB3' ' A' ' 122' ' ' TYR . 3.9 m -70.51 -39.86 76.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -45.15 -48.93 12.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.405 ' CB ' ' CG ' ' A' ' 75' ' ' ASP . 3.9 mm-40 -63.65 -44.29 94.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.442 ' O ' ' CG ' ' A' ' 116' ' ' GLN . 2.1 tt0 -156.16 89.24 2.81 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.293 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.463 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.3 Cg_endo -74.96 -3.63 14.21 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.54 1.81 . . . . 0.0 111.016 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -86.75 2.13 49.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 109.336 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -81.94 117.76 22.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 44.7 p -58.16 -29.75 65.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 110.414 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.441 ' CD2' ' H ' ' A' ' 121' ' ' HIS . 5.2 m-70 -66.91 -59.72 3.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.572 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.895 ' HB3' HG12 ' A' ' 113' ' ' VAL . 13.9 m-30 -55.86 -33.85 64.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 111.012 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.955 ' O ' HD22 ' A' ' 123' ' ' LEU . 0.0 OUTLIER -60.34 -48.05 83.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.69 ' N ' HD13 ' A' ' 123' ' ' LEU . 1.8 tptp -59.37 -39.26 82.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.341 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.567 ' O ' HG23 ' A' ' 129' ' ' THR . 0.6 OUTLIER -55.49 -44.13 76.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.012 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.417 ' O ' ' OG1' ' A' ' 129' ' ' THR . 1.9 tp -70.89 -34.02 71.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -67.96 -44.77 75.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.32 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.06 -42.68 93.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 111.004 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.779 HG21 ' CD2' ' A' ' 109' ' ' PHE . 2.6 p -55.85 -28.66 57.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.401 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -44.79 -52.01 8.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.642 ' O ' HD12 ' A' ' 135' ' ' LEU . 12.7 mttt -107.04 45.32 0.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.895 ' HB1' ' CD1' ' A' ' 102' ' ' PHE . . . -63.79 -49.92 73.59 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . 0.714 ' HD3' ' HB3' ' A' ' 132' ' ' ALA . 18.2 Cg_endo -75.03 -26.52 10.79 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.48 1.779 . . . . 0.0 110.991 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 61.6 mm-40 -79.69 -49.76 11.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.238 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.642 HD12 ' O ' ' A' ' 131' ' ' LYS . 6.7 mt -48.3 -42.16 30.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . 0.616 ' CD2' ' CE1' ' A' ' 140' ' ' TYR . 18.9 t-80 -67.57 -43.5 80.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.66 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.407 ' O ' ' HB3' ' A' ' 141' ' ' LYS . . . -61.86 -52.44 64.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.458 ' CG ' ' HA ' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -68.66 -32.72 72.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.313 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.636 ' HB2' ' O ' ' A' ' 135' ' ' LEU . . . -63.61 -39.39 94.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.34 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . 0.616 ' CE1' ' CD2' ' A' ' 136' ' ' HIS . 4.2 m-85 -88.25 -37.18 16.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 111.031 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.407 ' HB3' ' O ' ' A' ' 137' ' ' ALA . 2.9 tttp -65.77 -48.34 72.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 109.261 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -78.71 119.0 21.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.325 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 89.87 146.1 14.16 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.558 1.161 . . . . 0.0 110.991 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 62.11 99.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 0.773 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . 0.423 ' HA3' ' CD2' ' A' ' 149' ' ' HIS . . . -136.32 95.15 0.24 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.485 1.116 . . . . 0.0 111.008 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -40.84 155.41 0.06 OUTLIER Glycine 0 CA--C 1.531 1.049 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 15.8 p -40.78 114.31 0.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 0.773 . . . . 0.0 110.001 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 66.56 70.39 0.4 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.605 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . 0.511 ' O ' ' CG ' ' A' ' 149' ' ' HIS . 8.1 p80 -101.42 68.73 1.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.623 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 37.7 m80 66.0 135.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.612 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 2.5 m170 -89.44 98.32 11.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.571 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.02 124.05 15.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.583 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.531 -179.961 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -50.75 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.42 1.747 . . . . 0.0 110.993 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 1.7 mt 64.25 74.75 0.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -158.08 -178.2 31.89 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.536 1.147 . . . . 0.0 110.992 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 3.6 m -79.09 -31.52 44.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 0.774 . . . . 0.0 109.984 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER 70.91 -62.74 0.44 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 111.025 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 73.06 -62.58 0.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.0 t -132.24 151.16 51.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 110.376 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -177.42 132.84 0.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 110.36 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.564 ' O ' ' CG ' ' A' ' 6' ' ' GLU . 8.9 t -71.31 -49.41 42.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.357 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.564 ' CG ' ' O ' ' A' ' 5' ' ' THR . 0.0 OUTLIER 90.85 -25.97 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.558 ' CD2' ' OG1' ' A' ' 5' ' ' THR . 23.0 m-85 -60.55 -55.08 37.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.1 -37.47 15.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.44 ' CG ' ' CE2' ' A' ' 13' ' ' PHE . 7.2 ttm180 -66.96 -36.17 81.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.303 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.738 HD13 ' CG ' ' A' ' 47' ' ' PHE . 5.5 mt -62.42 -47.0 95.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.357 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.505 HD23 ' N ' ' A' ' 11' ' ' LEU . 4.2 mt -54.16 -31.54 52.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.591 ' CD1' HD11 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -74.45 -43.1 57.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.762 ' O ' HG21 ' A' ' 40' ' ' VAL . 5.4 m-85 -63.88 -33.85 76.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 110.978 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.578 ' HG2' HD21 ' A' ' 44' ' ' LEU . 14.1 mm-40 -62.11 -52.84 62.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.314 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.46 ' HG3' ' N ' ' A' ' 16' ' ' ILE . 1.0 OUTLIER -57.57 -29.26 64.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.297 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.591 HD11 ' CD1' ' A' ' 12' ' ' LEU . 37.5 mt -71.32 -53.03 22.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.5 ' O ' ' CB ' ' A' ' 21' ' ' GLU . 0.1 OUTLIER -55.89 -38.8 70.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -67.23 -47.44 70.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.89 -43.24 75.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.803 ' HB1' ' HB2' ' A' ' 37' ' ' TRP . . . -66.95 -57.5 6.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.566 ' HG3' ' CZ2' ' A' ' 37' ' ' TRP . 14.3 tt0 -50.96 -37.47 44.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.291 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.405 ' HA ' ' HD3' ' A' ' 25' ' ' LYS . 37.4 t30 -75.47 -43.82 47.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.436 1.085 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.555 HG22 ' OD2' ' A' ' 30' ' ' ASP . 20.8 m -53.64 -23.0 9.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.38 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -52.7 -61.58 2.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.972 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.405 ' HD3' ' HA ' ' A' ' 22' ' ' ASN . 0.0 OUTLIER -60.43 -29.71 69.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.62 -24.32 62.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.046 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.492 ' C ' ' H ' ' A' ' 29' ' ' LEU . 7.0 t-20 -169.6 84.56 0.61 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 23.28 0.4 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.508 1.794 . . . . 0.0 111.007 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.751 ' O ' HG21 ' A' ' 70' ' ' ILE . 8.7 mt -132.35 8.19 4.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.555 ' OD2' HG22 ' A' ' 23' ' ' THR . 17.6 p30 -90.74 99.44 12.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.344 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.784 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . . . -69.15 -30.71 69.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.338 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -61.44 -49.65 75.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.445 ' O ' ' N ' ' A' ' 37' ' ' TRP . 26.5 t30 -68.28 -47.08 68.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.143 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.678 HD22 ' O ' ' A' ' 63' ' ' LYS . 0.5 OUTLIER -51.07 -51.31 54.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 54.4 m -59.32 -41.29 88.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.359 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.53 -33.17 70.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.304 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.803 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . 13.9 t90 -67.46 -27.25 66.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 108.014 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.483 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -84.17 -55.7 2.71 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.485 1.116 . . . . 0.0 111.004 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -38.87 -46.14 2.23 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.762 HG21 ' O ' ' A' ' 13' ' ' PHE . 3.5 p -67.4 -47.5 80.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.484 0.755 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.442 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 12.6 mt -48.37 -43.9 34.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.11 . . . . 0.0 109.282 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.491 HD13 HD22 ' A' ' 83' ' ' ASN . 17.1 mt -64.25 -38.32 90.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.524 ' HG3' ' CZ ' ' A' ' 13' ' ' PHE . 38.0 mm-40 -65.78 -60.67 2.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.578 HD21 ' HG2' ' A' ' 14' ' ' GLU . 6.7 mt -62.2 -24.83 67.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.86 -44.15 70.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.978 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.476 ' CG ' ' N ' ' A' ' 47' ' ' PHE . 3.1 pt20 -67.69 -45.15 75.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.738 ' CG ' HD13 ' A' ' 10' ' ' ILE . 26.0 t80 -63.62 -22.47 66.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.994 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 46.2 m-70 -97.46 144.53 27.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.617 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -42.5 155.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.018 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.864 ' CG1' HD22 ' A' ' 91' ' ' LEU . 0.1 OUTLIER -54.67 -48.67 71.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 109.298 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.6 t -44.67 -56.46 4.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.995 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.8 -37.42 70.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.544 ' HB3' ' HA ' ' A' ' 50' ' ' ILE . . . -47.91 -54.48 12.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.438 ' CD ' HG23 ' A' ' 50' ' ' ILE . 18.7 mtpt -57.73 -50.78 72.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 52.7 mm-40 -55.17 -41.62 72.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.137 . . . . 0.0 110.332 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.434 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 60.3 mtp -70.44 -31.98 69.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.959 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.927 HG21 ' HB2' ' A' ' 88' ' ' PHE . 11.6 mt -73.03 -52.64 21.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -46.69 -54.66 9.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.31 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.531 ' HA ' ' CG2' ' A' ' 62' ' ' THR . 8.6 pt-20 -60.63 -37.66 82.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.458 ' N ' ' HG3' ' A' ' 59' ' ' GLU . . . -60.54 -39.92 89.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.557 HG22 ' N ' ' A' ' 62' ' ' THR . 0.3 OUTLIER -62.7 -63.04 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.557 ' N ' HG22 ' A' ' 61' ' ' ILE . 1.4 t -48.97 -25.77 2.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 110.393 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.678 ' O ' HD22 ' A' ' 34' ' ' LEU . 11.2 mttm -70.62 -51.63 26.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.551 ' CZ ' ' HB3' ' A' ' 80' ' ' CYS . 22.6 m-85 -56.32 -33.6 65.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 111.01 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -57.73 -55.46 34.61 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.128 . . . . 0.0 110.304 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.434 ' HA ' HD12 ' A' ' 69' ' ' LEU . 1.7 tt0 -56.21 -38.55 71.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 110.277 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.821 ' HA ' HD12 ' A' ' 70' ' ' ILE . . . -61.92 -43.87 97.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.735 HD21 HG23 ' A' ' 78' ' ' VAL . 28.0 mt -60.39 -31.29 70.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.434 HD12 ' HA ' ' A' ' 66' ' ' GLU . 0.8 OUTLIER -68.87 -31.46 70.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 109.287 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.821 HD12 ' HA ' ' A' ' 67' ' ' ALA . 5.9 mt -76.07 -41.62 38.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -154.73 114.28 2.4 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.135 . . . . 0.0 109.264 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -5.79 17.24 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.504 1.792 . . . . 0.0 111.021 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 75' ' ' ASP . 7.3 mmtm -82.73 -7.02 59.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.82 69.63 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.3 OUTLIER -51.97 -33.34 37.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.502 ' HG3' ' CE3' ' A' ' 79' ' ' TRP . 41.5 tt0 -65.19 -46.1 82.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.254 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.31 -32.44 56.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.326 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.978 HG11 ' HB2' ' A' ' 111' ' ' GLN . 29.0 t -74.53 -53.71 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.502 ' CE3' ' HG3' ' A' ' 76' ' ' GLU . 0.6 OUTLIER -58.17 -44.29 87.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 108.029 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.551 ' HB3' ' CZ ' ' A' ' 64' ' ' PHE . 0.7 OUTLIER -50.42 -51.76 43.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 108.284 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.803 HG21 ' CZ ' ' A' ' 108' ' ' PHE . 74.3 mt -52.04 -48.51 41.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -61.88 -43.21 99.51 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.455 1.097 . . . . 0.0 110.947 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.491 HD22 HD13 ' A' ' 42' ' ' LEU . 5.6 t30 -63.27 -40.61 97.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 0.771 . . . . 0.0 109.357 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.643 ' HB1' HG23 ' A' ' 57' ' ' ILE . . . -66.52 -52.55 44.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.1 . . . . 0.0 109.33 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.76 ' CE2' HD11 ' A' ' 104' ' ' LEU . 3.1 m-85 -56.82 -43.4 81.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.402 ' O ' ' HB3' ' A' ' 89' ' ' ALA . 18.1 m -58.01 -54.04 51.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.376 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 38.8 m -59.07 -51.19 71.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.972 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.927 ' HB2' HG21 ' A' ' 57' ' ' ILE . 27.3 t80 -54.39 -33.28 58.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.564 1.165 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.714 ' HB2' ' HB3' ' A' ' 101' ' ' ASN . . . -64.01 -45.88 86.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.419 ' CE2' ' CZ ' ' A' ' 102' ' ' PHE . 37.0 m-85 -61.83 -17.66 57.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 110.992 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.864 HD22 ' CG1' ' A' ' 50' ' ' ILE . 36.9 mt -93.96 -18.77 21.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.476 HG22 ' HB2' ' A' ' 98' ' ' ALA . 0.8 OUTLIER -95.07 120.66 63.95 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 110.417 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.627 ' HA ' ' CE2' ' A' ' 140' ' ' TYR . 18.6 Cg_endo -74.92 -27.61 10.02 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.534 1.807 . . . . 0.0 111.071 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.93 93.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -43.06 -47.51 5.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.6 m -52.61 -56.58 14.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.117 . . . . 0.0 110.425 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -65.83 -48.8 70.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 110.267 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.652 ' CB ' ' CE1' ' A' ' 136' ' ' HIS . . . -53.25 -52.95 57.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.91 -55.98 27.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.171 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.537 ' CD2' ' C ' ' A' ' 100' ' ' HIS . 0.2 OUTLIER -49.03 -40.7 32.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.563 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.714 ' HB3' ' HB2' ' A' ' 89' ' ' ALA . 0.3 OUTLIER -64.17 -53.89 42.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 109.292 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.913 ' HB3' ' HB1' ' A' ' 132' ' ' ALA . 11.3 m-85 -56.5 -44.47 80.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 110.972 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -74.77 -24.84 58.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.875 HD22 ' O ' ' A' ' 104' ' ' LEU . 0.4 OUTLIER -76.93 -38.28 53.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.82 -23.13 66.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.332 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.5 m -65.09 -53.53 44.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.38 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.438 ' CG ' ' O ' ' A' ' 104' ' ' LEU . 1.0 OUTLIER -49.67 -25.71 3.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.278 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.803 ' CZ ' HG21 ' A' ' 81' ' ' ILE . 4.9 m-85 -82.65 -48.11 11.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 110.981 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.655 ' HD2' HG21 ' A' ' 129' ' ' THR . 14.7 m-85 -54.73 -33.08 60.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 111.031 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -60.68 -29.03 69.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 0.0 110.306 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.978 ' HB2' HG11 ' A' ' 78' ' ' VAL . 28.0 mt-30 -80.49 -40.57 25.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.283 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -52.93 -51.92 59.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.258 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.819 HG12 ' HB3' ' A' ' 122' ' ' TYR . 6.2 m -68.53 -36.19 73.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -46.3 -51.01 15.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.268 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -65.25 -39.93 93.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 110.317 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.454 ' O ' ' CG ' ' A' ' 116' ' ' GLN . 1.5 tt0 -160.28 92.14 1.67 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.334 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.457 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.4 Cg_endo -74.95 -4.25 15.12 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.509 1.794 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -87.72 5.5 39.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -83.8 120.31 25.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 70.3 p -55.96 -50.95 69.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.419 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.446 ' CD2' ' H ' ' A' ' 121' ' ' HIS . 12.4 m-70 -49.95 -58.0 6.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.649 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.819 ' HB3' HG12 ' A' ' 113' ' ' VAL . 10.1 m-30 -53.8 -37.2 63.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 1.001 ' O ' HD22 ' A' ' 123' ' ' LEU . 0.0 OUTLIER -60.35 -44.82 95.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.658 ' N ' HD13 ' A' ' 123' ' ' LEU . 0.1 OUTLIER -63.76 -39.36 94.09 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.491 1.119 . . . . 0.0 109.25 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.924 ' O ' HG23 ' A' ' 129' ' ' THR . 1.1 m -55.66 -46.67 77.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.989 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 3.0 tp -69.19 -34.61 75.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.347 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.469 ' O ' ' HB3' ' A' ' 130' ' ' ALA . 4.4 tp10 -68.08 -41.94 81.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 110.33 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 12.3 mmm -62.62 -48.91 77.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.924 HG23 ' O ' ' A' ' 125' ' ' SER . 81.5 p -53.64 -24.91 15.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 110.414 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 127' ' ' GLU . . . -43.85 -40.74 4.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.442 ' O ' ' CG ' ' A' ' 135' ' ' LEU . 0.8 OUTLIER -122.4 47.84 1.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.312 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.913 ' HB1' ' HB3' ' A' ' 102' ' ' PHE . . . -64.78 -48.41 72.91 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . 0.651 ' HD3' ' HB3' ' A' ' 132' ' ' ALA . 18.1 Cg_endo -75.04 -28.04 9.45 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.5 1.79 . . . . 0.0 110.969 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . 0.439 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 2.9 mt-30 -80.26 -45.74 17.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 110.255 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.741 ' O ' ' HB2' ' A' ' 139' ' ' ALA . 24.5 mt -54.37 -38.65 66.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . 0.652 ' CE1' ' CB ' ' A' ' 98' ' ' ALA . 35.9 t-80 -67.9 -44.36 77.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.138 . . . . 0.0 109.563 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.523 ' O ' ' CB ' ' A' ' 141' ' ' LYS . . . -61.85 -53.05 61.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.477 ' CG ' ' HA ' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -68.72 -27.33 65.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.287 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.741 ' HB2' ' O ' ' A' ' 135' ' ' LEU . . . -60.56 -49.83 75.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . 0.627 ' CE2' ' HA ' ' A' ' 93' ' ' PRO . 6.3 m-85 -88.37 -42.78 11.97 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.118 . . . . 0.0 110.976 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.523 ' CB ' ' O ' ' A' ' 137' ' ' ALA . 11.4 ttpt -55.66 -47.95 75.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -82.42 103.44 11.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.423 ' O ' ' N ' ' A' ' 145' ' ' GLY . . . 102.76 128.23 6.32 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.462 1.101 . . . . 0.0 110.992 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 2.9 mp 69.92 -65.44 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 0.789 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 143' ' ' GLY . . . 56.55 -153.56 18.93 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.493 1.12 . . . . 0.0 111.003 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -114.41 108.84 2.07 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 5.9 m 62.23 158.6 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 0.759 . . . . 0.0 109.972 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -67.51 126.08 28.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.609 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -170.31 111.23 0.41 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.565 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 17.5 p80 -119.99 134.63 55.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.608 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 57.52 163.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.622 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 67.03 162.35 0.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.606 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.596 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 127.94 11.12 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.527 1.804 . . . . 0.0 111.012 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -172.46 -62.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.34 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 152.61 51.74 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 78.7 p -76.67 -37.06 56.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 0.781 . . . . 0.0 110.006 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 ptp 37.59 41.47 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.53 179.55 7.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 67.55 -175.74 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.371 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.436 ' O ' ' CB ' ' A' ' 5' ' ' THR . 5.4 pt-20 -178.74 -164.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.574 ' O ' ' CG ' ' A' ' 6' ' ' GLU . 4.1 m 77.88 29.28 0.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.428 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.574 ' CG ' ' O ' ' A' ' 5' ' ' THR . 0.0 OUTLIER 88.89 -20.96 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 110.314 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.449 ' O ' ' N ' ' A' ' 10' ' ' ILE . 25.2 m-85 -67.74 -54.69 17.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.0 p-10 -47.81 -32.03 5.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.273 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.513 ' CG ' ' CE2' ' A' ' 13' ' ' PHE . 9.2 ttm180 -75.71 -34.21 60.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 110.29 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.516 HD11 ' HB2' ' A' ' 47' ' ' PHE . 52.2 mt -57.55 -48.29 83.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.434 HD23 ' N ' ' A' ' 11' ' ' LEU . 6.9 mt -55.21 -41.54 72.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.345 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.725 ' CD1' HD11 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -57.99 -50.61 72.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.686 ' HA ' HD12 ' A' ' 16' ' ' ILE . 12.5 m-85 -63.94 -37.94 89.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -53.0 -53.0 56.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.457 ' CG ' ' O ' ' A' ' 12' ' ' LEU . 1.1 pt20 -62.38 -28.13 69.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 110.29 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.725 HD11 ' CD1' ' A' ' 12' ' ' LEU . 70.6 mt -71.37 -49.47 47.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.57 1.169 . . . . 0.0 109.272 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.5 ttp180 -60.92 -34.04 74.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.343 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -69.04 -54.44 15.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.289 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 23' ' ' THR . 0.1 OUTLIER -69.23 -29.65 67.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 16' ' ' ILE . . . -73.63 -45.81 50.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.586 ' HG3' ' CZ2' ' A' ' 37' ' ' TRP . 16.3 tt0 -66.64 -44.7 81.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.476 ' OD1' ' O ' ' A' ' 19' ' ' ASP . 0.2 OUTLIER -67.83 -36.72 80.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.504 HG22 ' OD1' ' A' ' 33' ' ' ASN . 1.4 m -60.84 -24.7 66.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.393 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.408 ' CD1' ' HZ3' ' A' ' 37' ' ' TRP . 6.8 t80 -51.37 -60.3 3.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.19 -26.97 68.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.161 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.1 -26.24 60.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.992 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -169.38 85.29 0.62 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 -11.23 21.31 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.521 1.801 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.873 ' O ' HG21 ' A' ' 70' ' ' ILE . 11.5 mt -88.87 -22.06 23.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -64.75 99.53 0.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.271 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.793 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . . . -70.07 -27.41 64.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -64.56 -52.16 59.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.573 1.17 . . . . 0.0 109.259 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.504 ' OD1' HG22 ' A' ' 23' ' ' THR . 0.5 OUTLIER -65.3 -40.2 93.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 1.011 HD22 ' O ' ' A' ' 63' ' ' LYS . 0.3 OUTLIER -59.4 -52.48 65.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.468 ' CG2' ' HG2' ' A' ' 76' ' ' GLU . 82.0 m -59.62 -37.88 79.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.396 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.34 -32.32 69.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 110.33 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.672 ' CZ2' ' NZ ' ' A' ' 63' ' ' LYS . 12.3 t90 -65.91 -27.48 68.23 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.452 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -84.68 -54.12 3.02 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.509 1.131 . . . . 0.0 111.034 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -40.46 -44.66 3.2 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.582 HG22 ' HB3' ' A' ' 13' ' ' PHE . 0.6 OUTLIER -67.4 -47.89 79.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 0.777 . . . . 0.0 109.264 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.474 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 14.1 mt -48.32 -43.82 33.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 15.9 mt -65.44 -36.74 84.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.355 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.47 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 19.4 mm-40 -65.11 -59.23 4.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.463 HD21 ' HB2' ' A' ' 13' ' ' PHE . 75.7 mt -61.97 -25.63 67.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.47 -36.89 74.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.008 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.467 ' HG2' ' N ' ' A' ' 47' ' ' PHE . 3.0 pt20 -66.46 -34.34 77.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 110.263 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.578 ' CZ ' ' CE1' ' A' ' 48' ' ' HIS . 0.0 OUTLIER -80.48 -36.32 33.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 111.082 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.578 ' CE1' ' CZ ' ' A' ' 47' ' ' PHE . 1.0 OUTLIER -78.81 135.95 37.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.584 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 46.0 m -41.0 148.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.001 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.981 ' CG1' HD22 ' A' ' 91' ' ' LEU . 1.0 OUTLIER -48.99 -43.96 15.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.304 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.9 t -46.65 -56.42 6.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.993 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.69 -36.39 62.74 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.626 ' HB3' ' HA ' ' A' ' 50' ' ' ILE . . . -49.1 -54.46 16.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.438 ' HD3' HG23 ' A' ' 50' ' ' ILE . 23.4 mtpt -51.73 -53.01 44.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -55.14 -46.11 75.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.286 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 93.3 mtp -62.02 -32.33 72.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 111.006 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.732 HG21 ' HB2' ' A' ' 88' ' ' PHE . 34.9 mt -72.76 -52.28 23.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -45.75 -51.1 13.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.248 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.452 ' HG2' ' N ' ' A' ' 60' ' ' ALA . 3.1 pt-20 -66.44 -37.58 85.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 110.296 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.452 ' N ' ' HG2' ' A' ' 59' ' ' GLU . . . -59.39 -28.32 66.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.626 HD12 ' O ' ' A' ' 57' ' ' ILE . 0.7 OUTLIER -69.89 -44.91 78.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.413 HG23 ' H ' ' A' ' 62' ' ' THR . 27.9 p -60.74 -32.48 71.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.394 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 1.011 ' O ' HD22 ' A' ' 34' ' ' LEU . 10.4 mmtp -60.79 -52.61 64.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.509 ' CZ ' ' HB3' ' A' ' 80' ' ' CYS . 9.6 m-85 -62.5 -36.4 82.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 110.977 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -48.64 -55.12 12.15 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.486 1.116 . . . . 0.0 110.318 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.449 ' HB3' ' CD1' ' A' ' 34' ' ' LEU . 23.8 tp10 -66.53 -43.3 85.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 0.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.629 ' HB2' ' HB3' ' A' ' 34' ' ' LEU . . . -54.31 -45.42 72.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.12 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.666 HD21 HG23 ' A' ' 78' ' ' VAL . 6.9 mt -64.45 -28.36 69.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.9 -31.41 68.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.873 HG21 ' O ' ' A' ' 29' ' ' LEU . 4.6 mt -78.75 -42.7 25.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -143.94 110.05 5.13 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -18.06 19.18 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.5 1.79 . . . . 0.0 111.04 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.18 2.59 34.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.464 ' HB3' ' HB3' ' A' ' 77' ' ' ALA . 1.2 tptp -69.62 79.54 0.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.27 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.87 -32.53 32.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.498 ' HG3' ' CE3' ' A' ' 79' ' ' TRP . 17.9 tt0 -66.5 -51.73 53.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.315 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.464 ' HB3' ' HB3' ' A' ' 74' ' ' LYS . . . -52.59 -32.84 43.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.927 HG11 ' HB2' ' A' ' 111' ' ' GLN . 16.9 t -74.69 -53.55 16.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.092 . . . . 0.0 109.257 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.498 ' CE3' ' HG3' ' A' ' 76' ' ' GLU . 0.4 OUTLIER -57.86 -46.32 84.99 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.509 ' HB3' ' CZ ' ' A' ' 64' ' ' PHE . 0.5 OUTLIER -50.41 -55.27 16.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 108.287 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.658 ' CD1' HD12 ' A' ' 68' ' ' LEU . 72.5 mt -52.04 -41.13 31.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -68.75 -44.65 69.07 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.451 1.094 . . . . 0.0 110.97 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -63.66 -32.0 73.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 0.739 . . . . 0.0 109.263 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.412 ' HB1' HG23 ' A' ' 57' ' ' ILE . . . -67.97 -55.16 13.72 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.602 ' CD1' ' ND2' ' A' ' 101' ' ' ASN . 10.8 m-85 -59.29 -48.57 81.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.994 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 96.1 m -54.69 -47.09 74.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 110.432 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.2 t -67.01 -50.98 60.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.996 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.732 ' HB2' HG21 ' A' ' 57' ' ' ILE . 40.4 t80 -54.09 -34.69 60.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.622 ' HB1' ' HB1' ' A' ' 98' ' ' ALA . . . -58.96 -48.91 79.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -57.89 -23.19 52.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 111.03 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.981 HD22 ' CG1' ' A' ' 50' ' ' ILE . 5.3 mt -94.63 -3.02 50.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.249 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.578 HG21 ' HB2' ' A' ' 97' ' ' GLU . 1.5 m -98.5 105.89 32.74 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 110.441 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.59 ' HA ' ' CE2' ' A' ' 140' ' ' TYR . 18.3 Cg_endo -74.96 -13.44 21.5 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.492 1.785 . . . . 0.0 111.011 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.631 ' O ' ' CB ' ' A' ' 95' ' ' GLU . 0.1 OUTLIER -58.69 -49.65 76.8 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.1 . . . . 0.0 109.267 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.631 ' CB ' ' O ' ' A' ' 94' ' ' ASP . 2.0 mm-40 97.42 -55.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 110.299 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -58.37 -38.92 78.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.413 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.578 ' HB2' HG21 ' A' ' 92' ' ' THR . 6.3 mt-10 -75.86 -35.18 59.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 110.336 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.622 ' HB1' ' HB1' ' A' ' 89' ' ' ALA . . . -69.94 -52.53 23.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.54 -49.88 73.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.508 ' CD2' ' C ' ' A' ' 100' ' ' HIS . 0.3 OUTLIER -56.13 -44.11 78.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.594 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.602 ' ND2' ' CD1' ' A' ' 85' ' ' TYR . 2.9 m120 -66.54 -47.81 71.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.143 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.553 ' HB3' ' HB1' ' A' ' 132' ' ' ALA . 2.0 m-85 -51.08 -45.52 61.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -73.6 -20.18 60.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.482 HD23 ' HG2' ' A' ' 107' ' ' GLN . 0.1 OUTLIER -76.03 -46.05 31.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.731 ' HB1' ' CZ ' ' A' ' 109' ' ' PHE . . . -61.54 -24.57 66.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.511 ' HA ' ' CD2' ' A' ' 109' ' ' PHE . 2.6 m -63.63 -55.07 26.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.406 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.482 ' HG2' HD23 ' A' ' 104' ' ' LEU . 1.7 pt20 -54.97 -23.92 21.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 110.311 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.8 ' HD1' HG13 ' A' ' 78' ' ' VAL . 15.0 m-85 -82.93 -44.02 15.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 110.989 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.731 ' CZ ' ' HB1' ' A' ' 105' ' ' ALA . 19.1 m-30 -54.5 -32.72 58.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 111.062 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.87 -30.4 70.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.297 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.927 ' HB2' HG11 ' A' ' 78' ' ' VAL . 39.5 mt-30 -81.22 -41.16 22.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.098 . . . . 0.0 110.315 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.5 ' O ' ' CD2' ' A' ' 122' ' ' TYR . . . -61.66 -52.8 62.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.252 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.722 HG12 ' HB3' ' A' ' 122' ' ' TYR . 4.1 m -63.64 -35.48 72.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.42 -45.92 9.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -75.1 -44.17 48.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.342 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -139.2 83.51 17.71 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.477 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.4 Cg_endo -74.94 -9.25 20.77 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.513 1.796 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -96.73 -11.87 24.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -68.36 116.29 8.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.479 ' HA ' HD12 ' A' ' 123' ' ' LEU . 2.0 t -52.81 -39.8 62.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.414 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -58.44 -45.57 88.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.54 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.722 ' HB3' HG12 ' A' ' 113' ' ' VAL . 12.0 m-30 -77.52 -24.09 50.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 111.014 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.973 HD13 ' N ' ' A' ' 124' ' ' LYS . 0.0 OUTLIER -77.43 -50.41 12.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 109.268 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.973 ' N ' HD13 ' A' ' 123' ' ' LEU . 0.1 OUTLIER -59.32 -43.78 92.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.54 -42.29 87.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.969 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.561 ' O ' HG23 ' A' ' 129' ' ' THR . 13.6 tp -72.9 -56.36 5.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -55.23 -29.53 58.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 110.272 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . 0.402 ' N ' ' O ' ' A' ' 124' ' ' LYS . 8.8 mmm -59.16 -31.81 69.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.561 HG23 ' O ' ' A' ' 126' ' ' LEU . 28.0 p -62.99 -28.53 70.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.342 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 129' ' ' THR . . . -39.62 -43.24 1.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.266 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.41 ' O ' ' CB ' ' A' ' 135' ' ' LEU . 0.7 OUTLIER -122.03 48.14 1.77 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 109.336 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.702 ' HB3' ' HD3' ' A' ' 133' ' ' PRO . . . -65.1 -49.58 65.84 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . 0.702 ' HD3' ' HB3' ' A' ' 132' ' ' ALA . 18.3 Cg_endo -74.97 -26.67 10.76 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.5 1.789 . . . . 0.0 110.964 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . 0.458 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 64.6 mm-40 -80.47 -48.32 12.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.302 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.732 ' O ' ' HB2' ' A' ' 139' ' ' ALA . 35.5 mt -51.63 -41.07 61.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . 0.546 ' CE1' ' HA ' ' A' ' 95' ' ' GLU . 60.0 t-80 -66.85 -44.91 79.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.088 . . . . 0.0 109.56 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.528 ' O ' ' CB ' ' A' ' 141' ' ' LYS . . . -61.88 -53.0 61.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.138 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.473 ' CG ' ' HA ' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -68.96 -26.97 65.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.264 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.732 ' HB2' ' O ' ' A' ' 135' ' ' LEU . . . -58.95 -51.33 70.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . 0.59 ' CE2' ' HA ' ' A' ' 93' ' ' PRO . 7.5 m-85 -88.3 -41.98 12.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 111.044 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.528 ' CB ' ' O ' ' A' ' 137' ' ' ALA . 8.3 ttpp -55.4 -47.23 76.21 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.459 1.1 . . . . 0.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.06 121.24 27.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 110.288 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 159.18 62.55 0.01 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.487 1.117 . . . . 0.0 111.035 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -153.71 97.55 2.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 0.747 . . . . 0.0 109.25 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 77.7 154.66 6.86 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.534 1.146 . . . . 0.0 110.985 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -74.94 73.27 1.5 Allowed Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.0 121.2 41.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 0.762 . . . . 0.0 109.996 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -47.5 135.82 10.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.609 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 16.4 t60 -52.72 171.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.585 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 -119.83 127.19 52.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.605 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -157.1 145.1 19.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.605 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -155.95 101.95 2.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.637 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 6.4 m80 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.583 -179.99 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 149.68 37.24 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.478 1.778 . . . . 0.0 111.01 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 3.9 mp 65.39 79.06 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -68.33 -145.32 0.13 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.52 1.137 . . . . 0.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 46.1 t -78.86 -34.63 44.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 0.746 . . . . 0.0 110.009 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.5 ttp -173.15 139.89 0.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 111.019 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 26.3 t0 178.86 92.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.243 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 63.2 p -135.39 156.37 49.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.394 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.407 ' C ' ' CG2' ' A' ' 5' ' ' THR . 0.4 OUTLIER -179.44 173.79 1.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.314 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.407 ' CG2' ' C ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER 37.63 79.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.394 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -49.29 -21.56 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 0.0 110.247 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -63.49 -55.24 25.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -49.46 -39.16 32.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.373 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.3 ttm180 -73.82 -35.77 64.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.328 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.464 HG23 HD22 ' A' ' 44' ' ' LEU . 30.3 mt -61.81 -38.46 80.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.439 HD23 ' N ' ' A' ' 11' ' ' LEU . 6.6 mt -57.95 -41.69 83.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.336 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.924 HD12 HD12 ' A' ' 16' ' ' ILE . 0.2 OUTLIER -59.53 -50.54 73.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.347 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.769 ' HD1' HG23 ' A' ' 40' ' ' VAL . 15.3 m-85 -63.73 -35.58 81.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.127 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -61.18 -57.69 11.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.163 . . . . 0.0 110.273 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.444 ' CG ' ' O ' ' A' ' 12' ' ' LEU . 7.2 pt20 -52.68 -31.63 38.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.327 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.924 HD12 HD12 ' A' ' 12' ' ' LEU . 5.2 mt -71.26 -50.59 40.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.446 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.4 OUTLIER -52.45 -56.29 16.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 110.279 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.43 ' HG3' ' N ' ' A' ' 19' ' ' ASP . 5.4 pt20 -53.81 -45.11 70.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.287 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.43 ' N ' ' HG3' ' A' ' 18' ' ' GLN . 0.3 OUTLIER -62.34 -38.52 89.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.779 ' HB1' ' CG ' ' A' ' 37' ' ' TRP . . . -56.99 -45.78 82.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.651 ' HG2' ' CZ2' ' A' ' 37' ' ' TRP . 3.2 mt-10 -62.0 -41.86 98.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.12 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.455 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 1.1 m120 -69.29 -47.85 63.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.544 HG21 ' CG ' ' A' ' 33' ' ' ASN . 4.3 m -60.56 -21.41 62.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.441 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.402 ' O ' ' N ' ' A' ' 28' ' ' PRO . 5.5 t80 -65.46 -62.3 1.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.955 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 22' ' ' ASN . 0.4 OUTLIER -64.14 -24.34 67.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.08 -25.38 29.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.017 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' A' ' 23' ' ' THR . 14.8 m120 -169.61 82.55 0.63 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.402 ' N ' ' O ' ' A' ' 24' ' ' TYR . 18.4 Cg_endo -74.98 -13.03 21.57 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.464 1.77 . . . . 0.0 111.033 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.817 ' O ' HG21 ' A' ' 70' ' ' ILE . 11.3 mt -82.47 -18.32 42.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.24 99.48 0.39 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.807 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . . . -74.03 -22.26 59.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.102 . . . . 0.0 109.282 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -69.23 -55.01 11.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.16 . . . . 0.0 109.319 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.544 ' CG ' HG21 ' A' ' 23' ' ' THR . 1.7 t30 -69.62 -34.96 74.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.969 ' HG ' ' HB2' ' A' ' 67' ' ' ALA . 1.3 tp -66.89 -41.14 87.7 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.41 ' CB ' ' O ' ' A' ' 31' ' ' ALA . 4.7 m -69.0 -53.58 19.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.377 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.434 ' CD ' HG23 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -57.87 -19.11 26.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 110.274 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.779 ' CG ' ' HB1' ' A' ' 20' ' ' ALA . 6.9 t90 -67.48 -27.53 67.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 107.995 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.599 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -82.57 -56.53 2.78 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.485 1.116 . . . . 0.0 110.964 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -42.44 -45.71 5.45 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.769 HG23 ' HD1' ' A' ' 13' ' ' PHE . 5.5 p -67.36 -37.61 79.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.492 0.76 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 38' ' ' GLY . 10.1 mt -60.94 -41.49 96.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.309 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.1 mt -65.51 -35.94 82.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -65.19 -58.14 6.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.271 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.464 HD22 HG23 ' A' ' 10' ' ' ILE . 88.0 mt -61.84 -25.11 67.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.45 -36.45 71.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.997 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.444 ' HG2' ' N ' ' A' ' 47' ' ' PHE . 4.4 pt20 -66.66 -35.06 79.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.133 . . . . 0.0 110.347 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.685 ' CE2' ' CD2' ' A' ' 48' ' ' HIS . 0.0 OUTLIER -80.46 -35.05 35.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 111.035 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.685 ' CD2' ' CE2' ' A' ' 47' ' ' PHE . 2.6 m-70 -80.37 141.52 35.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.594 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 59.6 m -48.62 160.58 0.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.97 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.567 ' HA ' ' HB3' ' A' ' 53' ' ' ALA . 0.2 OUTLIER -57.54 -48.62 82.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 56.0 p -44.36 -52.35 7.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 110.021 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -75.85 -38.33 58.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.567 ' HB3' ' HA ' ' A' ' 50' ' ' ILE . . . -47.2 -54.57 10.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.496 ' CD ' HG23 ' A' ' 50' ' ' ILE . 0.4 OUTLIER -52.6 -58.28 7.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.32 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 58.7 mm-40 -52.78 -41.97 64.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.291 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 87.7 mtp -66.82 -34.33 77.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 111.008 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.946 HG21 ' HB2' ' A' ' 88' ' ' PHE . 32.4 mt -72.48 -45.73 58.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.519 ' O ' HG23 ' A' ' 62' ' ' THR . 5.2 mt-30 -49.32 -54.37 17.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.347 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.422 ' HG2' ' N ' ' A' ' 60' ' ' ALA . 4.7 pt-20 -65.07 -34.19 77.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.336 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.422 ' N ' ' HG2' ' A' ' 59' ' ' GLU . . . -59.54 -31.55 69.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.509 HG12 ' CE1' ' A' ' 85' ' ' TYR . 0.5 OUTLIER -76.31 -58.01 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.519 HG23 ' O ' ' A' ' 58' ' ' GLN . 58.8 p -50.06 -25.4 3.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.407 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.475 ' HG3' ' CD1' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -71.34 -50.87 27.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.326 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.602 ' CZ ' ' SG ' ' A' ' 80' ' ' CYS . 23.5 m-85 -57.89 -43.31 85.99 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.58 -56.42 8.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 110.265 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.714 ' HB3' HD21 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -59.93 -38.03 81.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 110.308 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.969 ' HB2' ' HG ' ' A' ' 34' ' ' LEU . . . -65.85 -39.39 90.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.704 HD21 HG23 ' A' ' 78' ' ' VAL . 7.3 mt -63.81 -28.69 70.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.464 HD12 ' HA ' ' A' ' 66' ' ' GLU . 0.6 OUTLIER -68.06 -33.57 74.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.939 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.817 HG21 ' O ' ' A' ' 29' ' ' LEU . 5.0 mt -73.35 -43.49 56.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -146.79 105.88 3.96 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.339 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -13.01 21.66 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.468 1.773 . . . . 0.0 111.017 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.0 ptmt -84.09 0.61 47.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.39 80.21 1.89 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.423 ' N ' ' OD1' ' A' ' 75' ' ' ASP . 0.3 OUTLIER -54.29 -23.62 15.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.324 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 52.3 tt0 -69.47 -52.75 23.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.09 . . . . 0.0 110.269 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.34 -31.86 35.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.938 HG11 ' HB2' ' A' ' 111' ' ' GLN . 24.4 t -74.65 -52.92 18.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.26 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.524 ' CZ2' ' ND2' ' A' ' 83' ' ' ASN . 0.4 OUTLIER -59.08 -46.54 88.03 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.602 ' SG ' ' CZ ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -50.54 -52.88 34.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 108.362 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.617 ' CG2' ' CE2' ' A' ' 85' ' ' TYR . 58.9 mt -51.99 -41.76 32.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.429 ' HA3' ' CE1' ' A' ' 109' ' ' PHE . . . -67.51 -41.41 90.34 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.502 1.126 . . . . 0.0 110.984 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.524 ' ND2' ' CZ2' ' A' ' 79' ' ' TRP . 7.4 m-20 -64.5 -35.76 81.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 0.759 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.488 ' HB1' HG23 ' A' ' 57' ' ' ILE . . . -65.43 -55.62 16.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.617 ' CE2' ' CG2' ' A' ' 81' ' ' ILE . 16.0 m-85 -58.14 -43.41 87.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 111.006 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 73.8 m -55.4 -47.62 75.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.417 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.407 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 36.5 m -66.95 -52.49 42.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 110.011 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.946 ' HB2' HG21 ' A' ' 57' ' ' ILE . 37.5 t80 -52.28 -32.32 36.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 111.032 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.429 ' HB1' ' CE2' ' A' ' 102' ' ' PHE . . . -64.07 -48.59 75.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.244 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -57.69 -17.23 13.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.505 HD22 ' CG1' ' A' ' 50' ' ' ILE . 7.0 mt -95.9 -21.22 18.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -96.89 117.58 65.73 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.358 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -27.04 10.33 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.473 1.775 . . . . 0.0 110.963 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.424 ' OD1' ' HB ' ' A' ' 96' ' ' THR . 10.4 t70 -58.93 93.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -46.02 -45.93 16.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 110.332 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.424 ' HB ' ' OD1' ' A' ' 94' ' ' ASP . 0.9 OUTLIER -51.55 -51.41 55.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.547 1.154 . . . . 0.0 110.4 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -73.87 -49.88 22.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.323 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -52.34 -53.83 39.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.339 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -51.15 70.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.559 ' CD2' ' C ' ' A' ' 100' ' ' HIS . 0.1 OUTLIER -49.3 -39.85 32.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.616 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -69.96 -54.32 13.83 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.904 ' CD1' ' HB1' ' A' ' 132' ' ' ALA . 6.1 m-85 -51.82 -39.74 59.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.7 -19.72 60.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.552 HD23 ' HG2' ' A' ' 107' ' ' GLN . 0.2 OUTLIER -75.64 -48.58 21.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 109.273 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.955 ' HB1' ' CZ ' ' A' ' 109' ' ' PHE . . . -56.35 -28.03 57.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 16.0 m -60.44 -56.57 19.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 110.396 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.552 ' HG2' HD23 ' A' ' 104' ' ' LEU . 0.3 OUTLIER -57.26 -22.81 44.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.746 ' HD1' HG13 ' A' ' 78' ' ' VAL . 7.0 m-85 -83.23 -48.95 9.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 110.999 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.955 ' CZ ' ' HB1' ' A' ' 105' ' ' ALA . 20.6 m-85 -53.84 -32.38 52.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.969 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.415 ' HA ' ' NE2' ' A' ' 110' ' ' GLN . 0.0 OUTLIER -61.1 -28.0 68.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 110.283 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.938 ' HB2' HG11 ' A' ' 78' ' ' VAL . 35.5 mt-30 -81.44 -43.06 19.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.589 1.18 . . . . 0.0 110.333 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -54.55 -55.37 29.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.294 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.711 HG12 ' HB3' ' A' ' 122' ' ' TYR . 16.7 m -63.27 -34.37 66.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -45.65 -52.05 11.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -63.36 -42.37 98.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 110.26 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.439 ' O ' ' CG ' ' A' ' 116' ' ' GLN . 3.1 tt0 -157.8 91.55 2.25 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.147 . . . . 0.0 110.351 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.475 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.3 Cg_endo -74.97 -3.86 14.55 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.505 1.792 . . . . 0.0 111.034 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -89.36 8.05 32.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -86.7 121.57 29.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 61.5 p -57.94 -50.98 71.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.117 . . . . 0.0 110.398 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.45 ' CD2' ' H ' ' A' ' 121' ' ' HIS . 12.5 m-70 -49.85 -52.6 31.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.639 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.711 ' HB3' HG12 ' A' ' 113' ' ' VAL . 10.2 m-30 -60.64 -34.88 74.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.901 HD13 ' N ' ' A' ' 124' ' ' LYS . 0.0 OUTLIER -60.41 -53.74 54.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.358 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.901 ' N ' HD13 ' A' ' 123' ' ' LEU . 0.0 OUTLIER -55.02 -42.53 72.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.33 -37.21 72.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.03 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.4 ' O ' ' OG1' ' A' ' 129' ' ' THR . 11.1 tp -73.35 -41.97 62.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.27 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.06 -32.74 73.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.263 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.87 -28.54 64.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.968 ' HA ' ' HB2' ' A' ' 132' ' ' ALA . 18.0 p -68.54 -38.18 80.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.415 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 129' ' ' THR . . . -39.4 -39.91 0.74 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.402 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 16.3 mttt -131.15 38.24 3.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.968 ' HB2' ' HA ' ' A' ' 129' ' ' THR . . . -60.84 -52.35 73.02 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . 0.776 ' HD3' ' HB3' ' A' ' 132' ' ' ALA . 18.3 Cg_endo -74.97 -21.55 15.8 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.465 1.771 . . . . 0.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . 0.435 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 49.8 mm-40 -80.27 -47.24 14.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.282 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.654 ' O ' ' HB2' ' A' ' 139' ' ' ALA . 8.0 mt -48.27 -42.62 31.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . 0.549 ' NE2' ' CZ ' ' A' ' 140' ' ' TYR . 6.7 t-80 -67.35 -44.62 78.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.169 . . . . 0.0 109.576 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.423 ' O ' ' HB3' ' A' ' 141' ' ' LYS . . . -61.86 -52.74 62.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.508 ' O ' ' CB ' ' A' ' 142' ' ' GLN . 0.0 OUTLIER -68.12 -26.65 65.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.287 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.654 ' HB2' ' O ' ' A' ' 135' ' ' LEU . . . -72.13 -35.58 69.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . 0.549 ' CZ ' ' NE2' ' A' ' 136' ' ' HIS . 3.7 m-85 -88.29 -43.82 11.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 111.016 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.439 ' HG2' ' N ' ' A' ' 142' ' ' GLN . 0.0 OUTLIER -66.29 -43.73 85.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . 0.508 ' CB ' ' O ' ' A' ' 138' ' ' GLU . 8.4 tm0? -85.44 104.69 15.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.355 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -153.56 101.73 0.21 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.442 1.089 . . . . 0.0 111.001 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 7.4 tp -156.76 103.0 2.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 0.778 . . . . 0.0 109.32 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 109.96 -60.21 0.33 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 101.53 163.43 27.22 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 25.8 t 63.52 83.23 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 0.76 . . . . 0.0 110.016 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -152.15 71.47 0.96 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.563 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 44.4 m170 -80.47 158.3 25.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 109.618 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -58.53 174.85 0.28 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.616 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -72.59 102.92 3.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 0.0 109.581 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -47.21 149.22 1.03 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.587 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.598 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 156.13 43.24 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.459 1.768 . . . . 0.0 111.009 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 2.7 tt -171.56 -60.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.32 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 135.61 94.45 0.44 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 2' ' ' ASP . 0.5 OUTLIER -71.64 -36.64 70.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 0.743 . . . . 0.0 109.957 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 67.5 -63.95 0.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.088 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' A' ' 0' ' ' SER . 4.1 m-20 60.93 155.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.7 t -70.82 -173.06 0.73 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 110.398 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.515 ' O ' ' CB ' ' A' ' 5' ' ' THR . 2.2 pt-20 -158.53 117.09 3.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 110.312 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.533 ' O ' ' CB ' ' A' ' 6' ' ' GLU . 2.1 m 83.74 -11.82 0.86 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.115 . . . . 0.0 110.387 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.533 ' CB ' ' O ' ' A' ' 5' ' ' THR . 0.5 OUTLIER 89.3 -27.6 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.267 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.431 ' N ' ' HG2' ' A' ' 6' ' ' GLU . 21.0 m-85 -60.92 -54.83 40.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 111.024 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -47.65 -38.25 14.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.342 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.499 ' CG ' ' CE2' ' A' ' 13' ' ' PHE . 10.6 ttm180 -71.73 -32.68 68.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.377 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.757 HG23 ' CD2' ' A' ' 44' ' ' LEU . 68.3 mt -66.89 -44.58 88.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.7 mt -56.61 -40.37 75.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.431 1.082 . . . . 0.0 109.268 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.755 ' CD1' HD11 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -61.42 -49.16 77.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.337 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.686 ' HA ' HD12 ' A' ' 16' ' ' ILE . 12.2 m-85 -64.01 -36.68 84.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.943 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -56.48 -52.22 65.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 110.311 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.446 ' HG3' ' N ' ' A' ' 16' ' ' ILE . 3.6 pt20 -62.0 -27.57 68.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.755 HD11 ' CD1' ' A' ' 12' ' ' LEU . 69.6 mt -71.19 -53.31 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.259 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.484 ' O ' ' CB ' ' A' ' 21' ' ' GLU . 4.6 ttt180 -53.71 -39.69 65.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.292 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -66.41 -48.27 70.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.305 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.501 ' O ' ' CB ' ' A' ' 23' ' ' THR . 0.4 OUTLIER -66.57 -44.8 81.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.899 ' HB1' ' HB2' ' A' ' 37' ' ' TRP . . . -65.99 -55.57 16.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.574 ' HG3' ' CZ2' ' A' ' 37' ' ' TRP . 30.2 tt0 -54.18 -46.51 72.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.321 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 23.2 t30 -68.61 -45.56 71.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.544 HG21 ' CG ' ' A' ' 33' ' ' ASN . 2.8 m -54.09 -27.42 32.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.402 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -48.97 -59.79 3.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 111.002 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.7 -25.85 68.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.37 -42.35 68.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.968 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -159.03 91.13 1.98 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 0.85 8.43 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.509 1.794 . . . . 0.0 110.996 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.809 ' O ' HG21 ' A' ' 70' ' ' ILE . 10.2 mt -94.7 -21.04 19.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.48 ' O ' ' CB ' ' A' ' 34' ' ' LEU . 0.9 OUTLIER -64.64 99.33 0.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 109.302 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.686 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . . . -70.31 -33.93 72.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -63.78 -55.52 22.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.298 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.544 ' CG ' HG21 ' A' ' 23' ' ' THR . 0.2 OUTLIER -67.96 -36.06 79.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.991 ' HG ' ' HB2' ' A' ' 67' ' ' ALA . 1.1 tp -64.22 -46.24 84.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.2 m -67.32 -43.62 81.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.38 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -59.92 -31.35 69.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.314 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.899 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . 14.7 t90 -63.22 -26.73 68.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 107.996 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.579 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -86.44 -55.24 2.5 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.48 1.112 . . . . 0.0 110.976 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -43.72 -41.6 5.75 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.538 HG23 ' CD1' ' A' ' 13' ' ' PHE . 1.8 p -67.36 -48.22 78.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 0.765 . . . . 0.0 109.345 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.559 HD12 ' NZ ' ' A' ' 63' ' ' LYS . 25.3 mt -48.29 -43.51 32.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 17.6 mt -65.58 -39.39 91.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.364 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.551 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 12.1 mm-40 -60.6 -58.17 9.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.3 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.757 ' CD2' HG23 ' A' ' 10' ' ' ILE . 30.2 mt -61.53 -24.12 66.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.406 ' HA ' ' SD ' ' A' ' 56' ' ' MET . 2.7 t -53.29 -28.05 26.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.018 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -67.9 -40.16 83.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.329 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.606 ' CZ ' ' CE1' ' A' ' 48' ' ' HIS . 0.0 OUTLIER -80.69 -31.82 36.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 111.003 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.606 ' CE1' ' CZ ' ' A' ' 47' ' ' PHE . 5.1 m-70 -78.75 145.22 34.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.595 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 36.6 m -54.79 161.77 1.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.956 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.894 ' CG1' HD22 ' A' ' 91' ' ' LEU . 0.8 OUTLIER -61.71 -46.92 95.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.7 p -47.68 -56.46 7.23 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.475 1.11 . . . . 0.0 109.973 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.43 -40.01 77.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.629 ' C ' HD12 ' A' ' 57' ' ' ILE . . . -46.37 -53.72 10.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.597 ' HB3' ' CE2' ' A' ' 88' ' ' PHE . 5.5 mtpt -59.51 -36.51 76.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -67.27 -56.36 10.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.29 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.452 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 24.3 ptm -64.43 -28.01 69.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.816 HG21 ' HB2' ' A' ' 88' ' ' PHE . 27.2 mt -68.36 -40.57 82.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.422 ' CG ' ' O ' ' A' ' 54' ' ' LYS . 2.0 mt-30 -55.38 -55.14 35.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.291 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.687 ' HG3' ' HZ1' ' A' ' 63' ' ' LYS . 2.3 pt-20 -59.59 -33.93 72.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 110.315 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.569 ' N ' ' HG2' ' A' ' 59' ' ' GLU . . . -61.53 -30.86 70.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.555 HD12 ' O ' ' A' ' 57' ' ' ILE . 0.5 OUTLIER -70.74 -62.25 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.582 HG22 ' HA ' ' A' ' 59' ' ' GLU . 1.2 t -48.29 -35.43 12.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 110.462 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.687 ' HZ1' ' HG3' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -57.24 -47.6 80.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.579 ' CE1' ' HA3' ' A' ' 38' ' ' GLY . 18.9 m-85 -65.82 -37.58 86.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -48.95 -55.81 10.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 110.316 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.58 ' HB3' HD21 ' A' ' 34' ' ' LEU . 0.8 OUTLIER -64.87 -40.96 95.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.308 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.991 ' HB2' ' HG ' ' A' ' 34' ' ' LEU . . . -59.41 -34.22 72.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.852 HD21 HG23 ' A' ' 78' ' ' VAL . 7.2 mt -69.2 -31.7 70.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' A' ' 66' ' ' GLU . 0.4 OUTLIER -65.45 -34.89 79.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.946 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.809 HG21 ' O ' ' A' ' 29' ' ' LEU . 4.0 mt -73.18 -38.57 55.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -148.89 108.05 3.47 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -17.56 19.54 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.537 1.809 . . . . 0.0 111.021 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.9 ptpt -83.26 1.69 39.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.518 ' HB3' ' HB3' ' A' ' 77' ' ' ALA . 4.1 tppt? -68.31 76.63 0.26 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -52.44 -36.2 54.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.271 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 54.5 tt0 -64.07 -50.05 69.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.112 . . . . 0.0 110.25 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.518 ' HB3' ' HB3' ' A' ' 74' ' ' LYS . . . -54.89 -34.02 62.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.889 HG11 ' HB2' ' A' ' 111' ' ' GLN . 22.4 t -74.56 -53.23 17.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.428 ' CZ3' ' SG ' ' A' ' 80' ' ' CYS . 0.9 OUTLIER -57.97 -46.25 85.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 108.041 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.494 ' HB3' ' CZ ' ' A' ' 64' ' ' PHE . 0.8 OUTLIER -50.08 -53.13 29.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 108.302 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.756 HG21 ' CZ ' ' A' ' 108' ' ' PHE . 60.0 mt -51.9 -37.61 21.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -70.04 -41.28 71.51 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.418 ' OD1' ' NE1' ' A' ' 79' ' ' TRP . 3.0 m120 -64.53 -39.49 93.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 0.798 . . . . 0.0 109.287 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.447 ' HB1' ' CD1' ' A' ' 61' ' ' ILE . . . -64.03 -52.79 57.8 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.493 1.121 . . . . 0.0 109.326 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.559 ' CE2' HD13 ' A' ' 104' ' ' LEU . 6.1 m-85 -60.18 -50.53 73.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.988 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 53.4 m -54.99 -46.55 75.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 110.442 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.2 m -67.08 -52.06 46.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.018 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.816 ' HB2' HG21 ' A' ' 57' ' ' ILE . 36.0 t80 -53.38 -31.37 44.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.15 . . . . 0.0 110.995 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.02 -52.15 60.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.29 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -53.87 -22.4 9.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.992 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.894 HD22 ' CG1' ' A' ' 50' ' ' ILE . 9.5 mt -89.58 -28.96 19.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.255 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.402 ' C ' ' OH ' ' A' ' 140' ' ' TYR . 0.9 OUTLIER -86.17 121.31 72.71 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.39 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.602 ' HA ' ' CE2' ' A' ' 140' ' ' TYR . 18.3 Cg_endo -75.0 -27.58 9.89 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.516 1.798 . . . . 0.0 110.962 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -59.95 99.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 -50.96 -47.5 61.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 110.26 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.9 t -52.43 -44.86 65.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 110.334 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -75.55 -51.29 13.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.321 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.581 ' HB1' ' CD2' ' A' ' 136' ' ' HIS . . . -53.37 -52.95 57.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.62 -53.57 56.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.471 ' CD2' ' C ' ' A' ' 100' ' ' HIS . 0.8 OUTLIER -50.58 -39.56 50.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.612 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -65.73 -56.14 13.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.919 ' HB3' ' HB1' ' A' ' 132' ' ' ALA . 9.8 m-85 -51.87 -38.9 57.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.128 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -74.55 -20.07 60.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.559 HD13 ' CE2' ' A' ' 85' ' ' TYR . 0.0 OUTLIER -77.46 -52.03 9.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.614 ' HB1' ' CZ ' ' A' ' 109' ' ' PHE . . . -55.99 -24.48 39.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -61.96 -54.51 40.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 110.44 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.441 ' HG2' HD23 ' A' ' 104' ' ' LEU . 0.7 OUTLIER -58.87 -23.35 60.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.268 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.756 ' CZ ' HG21 ' A' ' 81' ' ' ILE . 10.6 m-85 -80.62 -47.03 14.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.958 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.614 ' CZ ' ' HB1' ' A' ' 105' ' ' ALA . 21.9 m-85 -53.88 -38.73 65.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.44 ' HA ' ' NE2' ' A' ' 110' ' ' GLN . 0.2 OUTLIER -53.03 -30.6 36.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.326 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.889 ' HB2' HG11 ' A' ' 78' ' ' VAL . 36.9 mt-30 -81.41 -42.81 19.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.513 ' O ' ' CD2' ' A' ' 122' ' ' TYR . . . -61.02 -50.92 71.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.645 HG12 ' HB3' ' A' ' 122' ' ' TYR . 13.9 m -65.05 -34.77 72.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.9 -42.95 8.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.362 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -75.22 -43.91 49.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 110.303 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 21.3 mm100 -144.16 83.49 10.11 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.27 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.466 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.3 Cg_endo -74.97 -3.44 13.93 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.484 1.781 . . . . 0.0 110.974 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -101.16 -11.76 19.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.276 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -69.85 118.05 12.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.499 ' HA ' HD12 ' A' ' 123' ' ' LEU . 1.8 t -52.78 -40.07 62.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.394 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -58.5 -45.28 89.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.577 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.645 ' HB3' HG12 ' A' ' 113' ' ' VAL . 10.2 m-30 -78.58 -24.47 45.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 111.018 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.987 HD13 ' N ' ' A' ' 124' ' ' LYS . 0.0 OUTLIER -76.29 -50.98 12.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.987 ' N ' HD13 ' A' ' 123' ' ' LEU . 7.7 tptt -51.28 -45.46 62.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.11 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.417 ' O ' HG23 ' A' ' 129' ' ' THR . 0.0 OUTLIER -55.93 -42.17 75.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 0.0 109.966 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 15.6 tp -68.15 -40.1 82.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -68.01 -34.35 76.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.259 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . 0.437 ' HE2' HD13 ' A' ' 135' ' ' LEU . 3.4 mtp -56.48 -32.12 64.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.675 ' HA ' ' HB2' ' A' ' 132' ' ' ALA . 17.0 p -67.73 -39.69 84.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.398 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -42.02 -29.15 0.21 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.127 . . . . 0.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.412 ' N ' ' C ' ' A' ' 129' ' ' THR . 8.8 mmtt -130.19 39.77 3.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.345 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.919 ' HB1' ' HB3' ' A' ' 102' ' ' PHE . . . -63.8 -51.46 64.77 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . 0.761 ' HD3' ' HB3' ' A' ' 132' ' ' ALA . 18.4 Cg_endo -74.98 -25.41 11.93 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.528 1.804 . . . . 0.0 111.008 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . 0.465 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 27.7 tp60 -80.52 -51.02 9.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.264 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.719 ' O ' ' HB2' ' A' ' 139' ' ' ALA . 54.0 mt -50.99 -41.93 59.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . 0.581 ' CD2' ' HB1' ' A' ' 98' ' ' ALA . 59.2 t-80 -67.29 -44.3 79.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.592 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.516 ' O ' ' CB ' ' A' ' 141' ' ' LYS . . . -62.06 -52.42 63.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.465 ' CG ' ' O ' ' A' ' 134' ' ' GLN . 0.0 OUTLIER -69.2 -27.82 65.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 110.308 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.719 ' HB2' ' O ' ' A' ' 135' ' ' LEU . . . -61.42 -49.19 77.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . 0.602 ' CE2' ' HA ' ' A' ' 93' ' ' PRO . 6.2 m-85 -87.16 -41.81 13.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.974 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.516 ' CB ' ' O ' ' A' ' 137' ' ' ALA . 0.0 OUTLIER -55.4 -48.1 74.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -83.91 121.9 27.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 110.323 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.1 63.59 1.79 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.465 HD13 ' C ' ' A' ' 144' ' ' LEU . 1.6 tm? -167.64 107.32 0.56 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 0.755 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -128.97 143.84 14.83 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 151.21 -90.54 0.13 Allowed Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 72.4 m -117.35 163.15 16.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 0.754 . . . . 0.0 109.987 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 11.0 t-160 72.18 108.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.602 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 4.1 p80 -166.63 61.16 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 109.584 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 2.5 m170 -113.93 145.76 41.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.623 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -103.37 151.48 22.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 109.582 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 72.3 -178.92 0.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.644 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 16.1 p-80 . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 109.636 -179.943 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 145.67 31.87 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.453 1.765 . . . . 0.0 110.977 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 1.7 mt -156.6 124.83 5.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.275 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 100.16 50.83 1.3 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.454 1.096 . . . . 0.0 110.988 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.52 -30.57 64.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 0.782 . . . . 0.0 109.944 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -153.72 179.19 9.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.95 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -66.61 179.63 1.01 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 109.275 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.3 p -89.1 -37.0 15.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.393 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.548 ' O ' ' CB ' ' A' ' 5' ' ' THR . 8.7 mm-40 61.48 130.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.287 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.548 ' CB ' ' O ' ' A' ' 4' ' ' GLU . 0.5 OUTLIER 85.82 -38.75 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.365 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.515 ' CB ' ' O ' ' A' ' 5' ' ' THR . 1.0 OUTLIER 86.81 -43.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 110.263 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.438 ' N ' ' HG2' ' A' ' 6' ' ' GLU . 6.4 m-85 -47.56 -54.63 11.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -47.54 -37.48 12.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.432 ' CG ' ' CE2' ' A' ' 13' ' ' PHE . 12.7 ttm180 -77.7 -33.57 53.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 110.318 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.789 HG23 ' CD2' ' A' ' 44' ' ' LEU . 52.1 mt -62.6 -39.59 85.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.6 mt -63.4 -36.34 83.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.271 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.506 HD12 ' CD1' ' A' ' 16' ' ' ILE . 0.1 OUTLIER -60.85 -52.77 63.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.526 ' HD1' HG23 ' A' ' 40' ' ' VAL . 21.4 m-85 -63.94 -27.98 69.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 111.016 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.467 ' CG ' ' O ' ' A' ' 10' ' ' ILE . 2.0 mm-40 -63.63 -58.35 7.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.322 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.481 ' HG3' ' N ' ' A' ' 16' ' ' ILE . 0.8 OUTLIER -53.09 -31.5 42.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.278 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.506 ' CD1' HD12 ' A' ' 12' ' ' LEU . 21.3 mt -71.39 -52.53 25.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -49.83 -48.46 50.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 110.263 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.433 ' HG3' ' N ' ' A' ' 19' ' ' ASP . 19.3 pt20 -64.81 -43.41 93.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.477 ' O ' ' CB ' ' A' ' 23' ' ' THR . 0.3 OUTLIER -65.48 -38.92 91.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.791 ' HB1' ' HB2' ' A' ' 37' ' ' TRP . . . -73.44 -57.49 3.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.538 ' HG3' ' CZ2' ' A' ' 37' ' ' TRP . 3.2 tt0 -50.59 -49.51 56.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 31.6 t30 -64.49 -47.62 78.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.602 HG21 ' ND2' ' A' ' 33' ' ' ASN . 2.1 m -53.9 -23.85 14.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.138 . . . . 0.0 110.38 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.457 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 8.4 t80 -53.3 -60.17 3.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.985 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.9 -32.45 70.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.9 t -71.75 -31.87 67.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 110.021 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 23' ' ' THR . 5.6 t-20 -152.98 81.92 5.07 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 15.04 0.77 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.518 1.799 . . . . 0.0 110.995 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.759 ' O ' HG21 ' A' ' 70' ' ' ILE . 13.2 mt -131.66 15.68 4.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.334 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.509 ' O ' ' CB ' ' A' ' 34' ' ' LEU . 1.8 m-20 -90.54 99.28 12.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.696 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . . . -68.03 -27.21 66.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.5 -53.77 12.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.602 ' ND2' HG21 ' A' ' 23' ' ' THR . 18.6 t-20 -71.29 -33.45 69.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.133 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 1.02 ' HG ' ' HB2' ' A' ' 67' ' ' ALA . 4.0 tp -66.89 -40.52 87.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.8 m -71.03 -51.57 24.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.381 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.578 ' HD2' ' HB2' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -58.27 -25.04 61.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.333 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.791 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . 14.5 t90 -67.75 -26.93 66.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 107.963 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.584 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -85.1 -57.71 2.21 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.475 1.109 . . . . 0.0 110.983 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -40.26 -43.66 2.78 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.526 HG23 ' HD1' ' A' ' 13' ' ' PHE . 2.8 p -67.36 -47.43 81.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.543 0.79 . . . . 0.0 109.291 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.564 HD22 ' HG2' ' A' ' 56' ' ' MET . 14.0 mt -48.63 -45.24 38.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.356 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.729 HD13 HD22 ' A' ' 83' ' ' ASN . 13.4 mt -65.57 -41.51 92.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.566 ' O ' ' CE1' ' A' ' 47' ' ' PHE . 8.2 mm-40 -59.74 -57.34 13.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 110.333 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.789 ' CD2' HG23 ' A' ' 10' ' ' ILE . 6.8 mt -59.02 -37.3 76.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.4 m -54.21 -21.75 9.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.028 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.613 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -68.06 -7.25 27.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.306 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.613 ' CZ ' ' HB3' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -158.02 47.98 0.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 110.982 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.499 ' NE2' HD22 ' A' ' 44' ' ' LEU . 2.0 m-70 -132.14 8.2 4.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.601 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.476 ' CB ' ' O ' ' A' ' 48' ' ' HIS . 0.3 OUTLIER 83.91 144.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.028 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.97 ' CG1' HD22 ' A' ' 91' ' ' LEU . 0.1 OUTLIER -56.84 -51.6 65.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.528 ' HA ' ' CE ' ' A' ' 54' ' ' LYS . 46.0 t -45.17 -56.6 4.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.997 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.3 -44.38 68.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.488 ' HB3' ' HA ' ' A' ' 50' ' ' ILE . . . -45.15 -55.11 6.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.528 ' CE ' ' HA ' ' A' ' 51' ' ' SER . 4.3 mtmp? -53.75 -47.14 70.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -62.48 -45.29 93.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 110.284 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.564 ' HG2' HD22 ' A' ' 41' ' ' LEU . 8.4 mtp -65.59 -30.28 70.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.824 HG21 ' HB2' ' A' ' 88' ' ' PHE . 38.9 mt -72.53 -49.36 42.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -47.83 -54.27 12.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.329 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.401 ' HA ' ' OG1' ' A' ' 62' ' ' THR . 3.9 pt-20 -65.47 -34.54 78.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.54 -33.42 71.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.441 HG22 ' N ' ' A' ' 62' ' ' THR . 0.5 OUTLIER -75.33 -58.53 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.441 ' N ' HG22 ' A' ' 61' ' ' ILE . 43.1 p -49.63 -25.65 3.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 110.437 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.566 ' HE3' ' CH2' ' A' ' 37' ' ' TRP . 0.2 OUTLIER -74.0 -44.21 55.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.584 ' CE1' ' HA3' ' A' ' 38' ' ' GLY . 22.2 m-85 -63.04 -44.57 95.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -48.51 -55.54 10.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 110.31 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.468 ' HB3' HD21 ' A' ' 34' ' ' LEU . 0.6 OUTLIER -62.23 -35.48 79.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 1.02 ' HB2' ' HG ' ' A' ' 34' ' ' LEU . . . -64.03 -39.3 93.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 109.305 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.576 HD21 HG23 ' A' ' 78' ' ' VAL . 13.1 mt -64.79 -31.53 72.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.425 HD12 ' HA ' ' A' ' 66' ' ' GLU . 0.5 OUTLIER -66.21 -33.77 76.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.822 HD12 ' HA ' ' A' ' 67' ' ' ALA . 5.6 mt -71.6 -41.9 71.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.562 1.163 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -155.06 114.42 2.34 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -4.71 15.81 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.489 1.784 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 75' ' ' ASP . 1.0 OUTLIER -82.55 -6.31 59.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.368 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.437 ' HB3' ' HB3' ' A' ' 77' ' ' ALA . 1.2 tptp -68.3 68.93 0.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.6 OUTLIER -51.91 -34.05 39.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.482 ' HG3' ' CE3' ' A' ' 79' ' ' TRP . 40.0 tt0 -65.62 -46.54 78.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.437 ' HB3' ' HB3' ' A' ' 74' ' ' LYS . . . -52.76 -31.4 38.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.948 HG11 ' HB2' ' A' ' 111' ' ' GLN . 27.7 t -74.51 -53.07 17.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.482 ' CE3' ' HG3' ' A' ' 76' ' ' GLU . 0.5 OUTLIER -59.3 -47.54 84.99 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.533 1.146 . . . . 0.0 108.014 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.576 ' HB3' ' CZ ' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -50.78 -51.68 48.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 108.31 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.807 HG21 ' CZ ' ' A' ' 108' ' ' PHE . 50.6 mt -52.09 -36.6 20.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -73.45 -42.77 40.01 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.48 1.113 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.729 HD22 HD13 ' A' ' 42' ' ' LEU . 2.3 t30 -64.47 -32.13 73.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 0.79 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.621 ' HB1' HG23 ' A' ' 57' ' ' ILE . . . -69.03 -55.16 11.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.415 ' CA ' ' OD1' ' A' ' 101' ' ' ASN . 7.2 m-85 -60.73 -46.3 90.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 90.1 m -55.21 -47.06 75.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 110.408 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.2 t -66.42 -50.65 62.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 110.009 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.824 ' HB2' HG21 ' A' ' 57' ' ' ILE . 10.7 t80 -52.92 -37.07 60.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.438 ' HB1' ' HB1' ' A' ' 98' ' ' ALA . . . -58.35 -50.04 75.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -57.08 -21.55 32.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.976 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.97 HD22 ' CG1' ' A' ' 50' ' ' ILE . 18.6 mt -94.69 -3.28 49.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.551 HG21 ' HB2' ' A' ' 97' ' ' GLU . 1.3 m -98.61 105.71 31.98 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 110.381 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.571 ' HA ' ' CE2' ' A' ' 140' ' ' TYR . 18.3 Cg_endo -75.06 -12.25 21.39 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.485 1.782 . . . . 0.0 111.0 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.632 ' O ' ' CB ' ' A' ' 95' ' ' GLU . 29.6 m-20 -58.66 -48.68 80.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.632 ' CB ' ' O ' ' A' ' 94' ' ' ASP . 2.5 mm-40 97.33 -55.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.6 t -59.32 -41.33 88.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.414 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.551 ' HB2' HG21 ' A' ' 92' ' ' THR . 3.2 mt-10 -74.3 -34.56 63.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.28 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.507 ' CB ' ' NE2' ' A' ' 136' ' ' HIS . . . -69.81 -52.57 23.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.74 -49.91 71.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.445 ' CD2' ' C ' ' A' ' 100' ' ' HIS . 1.0 OUTLIER -57.71 -35.89 71.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.624 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.434 ' HB3' ' HB2' ' A' ' 89' ' ' ALA . 0.3 OUTLIER -68.96 -48.86 62.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.604 ' CD1' ' HB1' ' A' ' 132' ' ' ALA . 6.2 m-85 -51.27 -44.8 61.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.952 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -71.7 -25.68 62.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.321 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.474 HD23 ' HA ' ' A' ' 104' ' ' LEU . 0.0 OUTLIER -72.8 -47.45 46.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.334 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.22 -23.92 67.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.9 m -67.34 -54.94 16.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 110.38 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.474 ' HG2' HD23 ' A' ' 104' ' ' LEU . 0.9 OUTLIER -51.72 -24.41 5.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 110.329 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.823 ' HD1' HG13 ' A' ' 78' ' ' VAL . 7.3 m-85 -83.24 -47.8 11.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.979 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.765 ' O ' HG13 ' A' ' 113' ' ' VAL . 15.7 m-85 -54.08 -25.15 20.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.143 . . . . 0.0 110.996 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -67.06 -30.22 70.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.948 ' HB2' HG11 ' A' ' 78' ' ' VAL . 36.2 mt-30 -81.21 -40.51 23.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.585 ' O ' ' CD2' ' A' ' 122' ' ' TYR . . . -63.57 -50.08 70.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.857 HG12 ' HB3' ' A' ' 122' ' ' TYR . 3.6 m -68.84 -38.46 78.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -44.79 -41.49 7.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.402 ' O ' ' OE1' ' A' ' 116' ' ' GLN . 1.8 mm-40 -75.08 -44.45 47.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 110.312 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.402 ' OE1' ' O ' ' A' ' 115' ' ' GLU . 17.0 mm100 -143.79 82.85 10.9 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.287 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.462 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.4 Cg_endo -75.01 -10.87 21.39 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.513 1.796 . . . . 0.0 111.033 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -91.48 -12.11 35.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -69.9 112.8 6.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.594 ' HA ' HD12 ' A' ' 123' ' ' LEU . 2.2 t -52.73 -22.92 5.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.458 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -70.46 -48.67 54.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.589 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.857 ' HB3' HG12 ' A' ' 113' ' ' VAL . 15.3 m-30 -79.19 -25.67 42.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 1.01 HD13 ' N ' ' A' ' 124' ' ' LYS . 0.0 OUTLIER -69.04 -50.15 51.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.137 . . . . 0.0 109.329 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 1.01 ' N ' HD13 ' A' ' 123' ' ' LEU . 4.2 mptt -50.3 -43.68 53.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.981 ' O ' HG23 ' A' ' 129' ' ' THR . 0.7 OUTLIER -55.48 -41.22 72.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.987 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.432 ' O ' ' OG1' ' A' ' 129' ' ' THR . 3.9 tp -69.49 -35.1 75.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.337 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -68.07 -43.56 78.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -64.67 -45.41 86.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.981 HG23 ' O ' ' A' ' 125' ' ' SER . 40.7 p -53.52 -31.95 48.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.39 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -40.7 -64.02 0.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 109.297 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.494 ' O ' ' CG ' ' A' ' 135' ' ' LEU . 0.4 OUTLIER -95.34 53.15 1.47 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.65 ' HB3' ' HD3' ' A' ' 133' ' ' PRO . . . -66.84 -48.33 52.18 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.343 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . 0.65 ' HD3' ' HB3' ' A' ' 132' ' ' ALA . 18.3 Cg_endo -75.03 -27.67 9.76 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.515 1.798 . . . . 0.0 110.954 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . 0.465 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 2.0 mm-40 -80.86 -47.1 14.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.295 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.727 ' O ' ' HB2' ' A' ' 139' ' ' ALA . 20.5 mt -52.61 -41.3 63.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . 0.507 ' NE2' ' CB ' ' A' ' 98' ' ' ALA . 27.4 t-80 -66.66 -44.7 81.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.616 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.521 ' O ' ' CB ' ' A' ' 141' ' ' LYS . . . -61.62 -53.29 58.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.465 ' CG ' ' O ' ' A' ' 134' ' ' GLN . 0.0 OUTLIER -68.99 -26.76 65.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.275 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.727 ' HB2' ' O ' ' A' ' 135' ' ' LEU . . . -59.11 -51.5 69.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . 0.571 ' CE2' ' HA ' ' A' ' 93' ' ' PRO . 8.0 m-85 -88.17 -42.92 12.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.989 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.521 ' CB ' ' O ' ' A' ' 137' ' ' ALA . 0.0 OUTLIER -55.99 -47.75 77.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . 0.401 ' CB ' ' O ' ' A' ' 138' ' ' GLU . 3.2 tt0 -84.37 125.46 32.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 110.331 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -109.99 -121.29 4.31 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.459 1.099 . . . . 0.0 111.009 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.02 -69.24 0.62 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 0.753 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -59.05 150.79 35.83 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.531 1.144 . . . . 0.0 110.989 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -90.27 -178.09 44.42 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 3.9 m -119.6 96.91 5.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 0.786 . . . . 0.0 110.003 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -146.23 -61.6 0.31 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.561 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 63.4 t60 -61.72 -61.1 2.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.595 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 42.3 p-80 -107.97 106.35 16.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.621 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -159.7 -62.16 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.623 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -53.96 132.8 42.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.595 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 77.4 m-70 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.591 -179.945 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . 0.412 ' O ' ' N ' ' A' ' -1' ' ' GLY . 18.4 Cg_endo -74.97 -44.65 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.456 1.767 . . . . 0.0 111.035 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 68.86 -70.01 0.14 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' -3' ' ' PRO . . . 138.09 74.85 0.06 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.555 1.159 . . . . 0.0 111.012 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.5 -31.54 62.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 0.775 . . . . 0.0 110.039 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -76.03 119.42 19.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.964 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -87.7 -60.65 1.91 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.56 1.162 . . . . 0.0 109.298 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 82.1 p -132.98 174.53 10.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 110.38 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -179.66 -155.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.338 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.541 ' O ' ' CG ' ' A' ' 6' ' ' GLU . 8.5 m -87.01 6.93 29.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 110.408 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.696 ' OE2' HD11 ' A' ' 10' ' ' ILE . 0.0 OUTLIER 88.18 -23.06 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.428 ' O ' ' N ' ' A' ' 10' ' ' ILE . 23.3 m-85 -65.65 -55.2 18.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 111.028 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.03 -32.54 6.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.442 ' CG ' ' CE2' ' A' ' 13' ' ' PHE . 8.3 ttm180 -75.5 -34.99 60.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.34 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.726 HG23 ' CD2' ' A' ' 44' ' ' LEU . 35.1 mt -57.53 -43.43 83.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.346 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.494 HD23 ' N ' ' A' ' 11' ' ' LEU . 3.4 mt -57.01 -41.37 78.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.539 HD12 ' CD1' ' A' ' 16' ' ' ILE . 0.1 OUTLIER -58.78 -51.52 69.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.635 ' HB3' HG22 ' A' ' 40' ' ' VAL . 14.9 m-85 -63.73 -37.31 86.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 111.015 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.55 ' HG2' HD21 ' A' ' 44' ' ' LEU . 3.3 mm-40 -58.67 -58.36 8.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.108 . . . . 0.0 110.277 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.443 ' CG ' ' O ' ' A' ' 12' ' ' LEU . 5.5 pt20 -51.87 -29.06 18.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.266 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.539 ' CD1' HD12 ' A' ' 12' ' ' LEU . 7.9 mt -71.73 -53.08 21.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 109.342 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.4 ttt180 -49.06 -59.37 3.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.429 ' HG3' ' O ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -53.49 -37.72 62.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.404 ' HB2' ' O ' ' A' ' 15' ' ' GLN . 0.1 OUTLIER -68.46 -38.58 81.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.695 ' HB1' ' CG ' ' A' ' 37' ' ' TRP . . . -56.96 -41.34 78.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.627 ' HG2' ' CZ2' ' A' ' 37' ' ' TRP . 1.4 mt-10 -66.53 -39.42 88.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.32 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.418 ' N ' ' ND2' ' A' ' 22' ' ' ASN . 0.8 OUTLIER -74.72 -32.75 62.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.239 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.732 HG21 ' CG ' ' A' ' 33' ' ' ASN . 21.4 m -66.71 -23.18 66.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.418 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.475 ' O ' ' N ' ' A' ' 28' ' ' PRO . 0.0 OUTLIER -65.38 -62.96 1.22 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 110.975 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.32 -23.45 62.48 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.06 -25.67 25.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 110.008 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.494 ' C ' ' H ' ' A' ' 29' ' ' LEU . 2.6 t-20 -169.55 79.38 0.67 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.475 ' N ' ' O ' ' A' ' 24' ' ' TYR . 18.2 Cg_endo -74.99 20.78 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.514 1.797 . . . . 0.0 111.004 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.685 ' O ' HG21 ' A' ' 70' ' ' ILE . 13.0 mt -131.71 14.2 4.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.409 ' O ' ' HB2' ' A' ' 34' ' ' LEU . 1.0 OUTLIER -90.64 98.03 11.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.718 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . . . -69.77 -30.38 67.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -60.76 -54.59 43.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.252 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.732 ' CG ' HG21 ' A' ' 23' ' ' THR . 0.4 OUTLIER -71.24 -42.68 68.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.904 HD21 ' HB3' ' A' ' 66' ' ' GLU . 0.3 OUTLIER -51.05 -56.05 14.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.245 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.2 m -58.7 -34.58 71.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.401 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.437 ' CZ ' HD13 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -70.51 -26.16 63.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.113 . . . . 0.0 110.321 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.695 ' CG ' ' HB1' ' A' ' 20' ' ' ALA . 4.5 t90 -61.48 -26.73 68.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 107.98 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.599 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -83.66 -59.45 2.11 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.553 1.158 . . . . 0.0 110.961 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 38' ' ' GLY . . . -36.15 -46.07 0.94 Allowed Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.635 HG22 ' HB3' ' A' ' 13' ' ' PHE . 1.1 p -67.22 -49.61 70.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.511 0.771 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.497 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 12.1 mt -49.7 -44.16 47.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.0 mt -65.39 -38.34 89.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.494 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 8.0 mm-40 -63.53 -58.72 6.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.726 ' CD2' HG23 ' A' ' 10' ' ' ILE . 16.5 mt -62.03 -27.35 68.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.405 ' OG ' ' HE2' ' A' ' 56' ' ' MET . 7.2 m -61.8 -35.01 76.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.977 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.432 ' HG2' ' N ' ' A' ' 47' ' ' PHE . 0.6 OUTLIER -61.57 -37.71 84.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.292 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.615 ' CZ ' ' CE1' ' A' ' 48' ' ' HIS . 0.0 OUTLIER -80.24 -30.88 38.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 111.017 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.615 ' CE1' ' CZ ' ' A' ' 47' ' ' PHE . 4.7 m-70 -78.97 143.37 35.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.582 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.6 m -51.17 160.5 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.086 . . . . 0.0 110.037 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.569 ' HA ' ' HB3' ' A' ' 53' ' ' ALA . 0.1 OUTLIER -55.37 -48.02 77.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.1 p -44.56 -53.63 6.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 110.052 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -75.23 -38.34 60.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.569 ' HB3' ' HA ' ' A' ' 50' ' ' ILE . . . -46.61 -54.54 9.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.432 ' CD ' HG23 ' A' ' 50' ' ' ILE . 0.5 OUTLIER -50.68 -57.78 7.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -51.63 -49.25 62.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.405 ' HE2' ' OG ' ' A' ' 45' ' ' SER . 85.6 mtp -60.94 -38.92 87.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 111.003 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.857 HG21 ' HB2' ' A' ' 88' ' ' PHE . 8.9 mt -68.02 -55.51 16.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.404 ' O ' ' HB ' ' A' ' 61' ' ' ILE . 2.1 mm100 -49.13 -46.42 45.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.581 ' HG3' ' HZ2' ' A' ' 63' ' ' LYS . 2.7 tp10 -66.59 -39.19 88.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.94 -31.63 70.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.661 HD12 ' O ' ' A' ' 57' ' ' ILE . 0.9 OUTLIER -62.39 -49.69 82.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.15 . . . . 0.0 109.312 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.493 ' OG1' ' O ' ' A' ' 59' ' ' GLU . 27.6 p -53.99 -42.88 69.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.164 . . . . 0.0 110.376 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.581 ' HZ2' ' HG3' ' A' ' 59' ' ' GLU . 11.7 mmtm -49.49 -56.0 11.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.599 ' CE1' ' HA3' ' A' ' 38' ' ' GLY . 14.6 m-85 -57.65 -44.58 85.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -47.96 -53.92 14.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.275 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.904 ' HB3' HD21 ' A' ' 34' ' ' LEU . 2.6 tp10 -65.04 -35.19 80.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.269 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.754 ' HB2' ' HG ' ' A' ' 34' ' ' LEU . . . -64.95 -45.42 85.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.689 HD21 HG23 ' A' ' 78' ' ' VAL . 10.5 mt -60.09 -31.69 70.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.617 HD12 ' HA ' ' A' ' 66' ' ' GLU . 1.1 mt -64.24 -43.53 94.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.718 ' HB ' ' HB2' ' A' ' 31' ' ' ALA . 6.1 mt -64.04 -44.42 97.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -150.6 112.74 3.2 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -6.9 18.65 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.504 1.791 . . . . 0.0 110.973 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 75' ' ' ASP . 31.1 mttt -82.75 -5.72 59.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.48 ' HB3' ' HB3' ' A' ' 77' ' ' ALA . 8.9 tptp -65.23 75.21 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.341 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' A' ' 73' ' ' LYS . 2.5 p30 -52.09 -33.78 40.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.442 ' HG3' ' CE3' ' A' ' 79' ' ' TRP . 37.4 tt0 -66.45 -47.87 71.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.48 ' HB3' ' HB3' ' A' ' 74' ' ' LYS . . . -52.36 -32.3 37.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.943 HG11 ' HB2' ' A' ' 111' ' ' GLN . 27.8 t -74.6 -53.45 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.488 ' HD1' ' HG ' ' A' ' 125' ' ' SER . 0.5 OUTLIER -58.32 -46.91 85.27 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.597 ' SG ' ' CZ ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -51.07 -51.38 53.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 108.302 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.559 HG21 ' CZ ' ' A' ' 108' ' ' PHE . 49.4 mt -51.99 -39.75 26.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -70.87 -39.67 64.59 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.485 1.116 . . . . 0.0 110.986 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -64.64 -32.25 73.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 0.795 . . . . 0.0 109.329 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.565 ' HB1' ' CD1' ' A' ' 61' ' ' ILE . . . -70.02 -55.6 9.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.498 ' CE1' HG12 ' A' ' 61' ' ' ILE . 12.0 m-85 -59.14 -41.94 89.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 111.017 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 55.4 m -57.46 -48.26 79.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.403 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.4 m -65.89 -52.24 51.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.036 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.857 ' HB2' HG21 ' A' ' 57' ' ' ILE . 53.6 t80 -51.46 -40.33 59.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.98 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.654 ' HB1' ' CD2' ' A' ' 102' ' ' PHE . . . -56.08 -49.74 72.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.402 ' O ' ' OH ' ' A' ' 140' ' ' TYR . 38.8 m-85 -58.52 -18.64 30.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 111.044 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.553 HD22 ' CG1' ' A' ' 50' ' ' ILE . 8.3 mt -92.02 -25.55 18.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.63 120.01 64.17 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 110.432 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.436 ' HA ' ' CE2' ' A' ' 140' ' ' TYR . 18.3 Cg_endo -75.0 -23.21 14.03 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.477 1.777 . . . . 0.0 110.988 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.66 89.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 93' ' ' PRO . 91.4 mt-10 -41.51 -47.31 3.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.4 m -52.62 -54.69 29.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.432 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -68.51 -50.18 54.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.319 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -52.69 -54.03 39.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.321 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.98 -53.09 61.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.451 ' CD2' ' C ' ' A' ' 100' ' ' HIS . 1.2 t60 -49.45 -45.64 46.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.583 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -68.86 -50.67 47.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.088 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.742 ' HD1' ' HB1' ' A' ' 132' ' ' ALA . 1.8 m-85 -52.83 -41.36 64.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.972 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.58 -20.91 59.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.538 HD23 ' HG2' ' A' ' 107' ' ' GLN . 0.1 OUTLIER -73.07 -46.66 50.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -58.7 -29.43 66.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 109.269 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.496 ' OG1' ' CG2' ' A' ' 129' ' ' THR . 20.3 m -61.77 -56.29 21.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 110.398 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.538 ' HG2' HD23 ' A' ' 104' ' ' LEU . 1.8 pt20 -54.66 -23.25 16.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.287 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.778 ' HD1' HG13 ' A' ' 78' ' ' VAL . 7.3 m-85 -83.3 -49.23 9.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 110.973 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.553 ' CE2' ' OG1' ' A' ' 129' ' ' THR . 20.5 m-85 -55.24 -20.1 10.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 111.007 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -73.9 -26.51 60.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.943 ' HB2' HG11 ' A' ' 78' ' ' VAL . 38.6 mt-30 -81.45 -42.95 19.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 110.283 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -50.76 -52.08 44.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.35 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.774 HG12 ' HB3' ' A' ' 122' ' ' TYR . 5.7 m -67.0 -37.53 79.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 109.333 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -45.32 -47.5 13.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -68.73 -40.43 79.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.312 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -157.29 90.01 2.47 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.297 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.443 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.3 Cg_endo -75.01 -3.15 13.5 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.479 1.778 . . . . 0.0 110.996 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.8 -11.99 52.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -68.41 116.81 9.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.332 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.407 HG23 ' H ' ' A' ' 120' ' ' THR . 37.7 p -56.52 -46.37 80.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.413 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.456 ' CD2' ' H ' ' A' ' 121' ' ' HIS . 11.5 m-70 -51.42 -59.48 4.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.591 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.774 ' HB3' HG12 ' A' ' 113' ' ' VAL . 10.9 m-30 -51.92 -33.61 37.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.924 ' O ' HD22 ' A' ' 123' ' ' LEU . 0.0 OUTLIER -65.99 -49.24 68.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.699 ' N ' HD13 ' A' ' 123' ' ' LEU . 13.6 tptt -63.62 -46.03 87.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.249 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.488 ' HG ' ' HD1' ' A' ' 79' ' ' TRP . 0.1 OUTLIER -57.24 -45.12 84.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 110.014 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 31.2 tp -72.13 -39.51 68.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.253 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.59 -46.93 83.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 110.359 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 6.0 mmm -63.74 -36.12 82.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.553 ' OG1' ' CE2' ' A' ' 109' ' ' PHE . 0.9 OUTLIER -59.78 -23.82 63.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.425 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -41.95 -59.06 1.84 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.095 . . . . 0.0 109.358 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.585 ' O ' HD12 ' A' ' 135' ' ' LEU . 1.8 mptm? -95.76 47.63 1.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 109.273 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.742 ' HB1' ' HD1' ' A' ' 102' ' ' PHE . . . -63.28 -49.93 77.19 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . 0.709 ' HD3' ' HB3' ' A' ' 132' ' ' ALA . 18.3 Cg_endo -75.02 -27.28 10.11 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.501 1.79 . . . . 0.0 110.989 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -78.37 -48.14 16.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.15 . . . . 0.0 110.327 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.661 ' O ' ' HB2' ' A' ' 139' ' ' ALA . 7.1 mt -48.45 -38.1 18.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.264 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . 0.602 ' CD2' ' CE1' ' A' ' 140' ' ' TYR . 31.2 t-80 -69.35 -44.34 71.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.618 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.536 ' O ' ' CB ' ' A' ' 141' ' ' LYS . . . -61.79 -51.8 66.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.25 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.493 ' CG ' ' HA ' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -68.98 -27.46 65.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 110.312 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.661 ' HB2' ' O ' ' A' ' 135' ' ' LEU . . . -69.1 -49.88 53.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . 0.602 ' CE1' ' CD2' ' A' ' 136' ' ' HIS . 5.8 m-85 -80.14 -33.04 38.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 110.945 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.536 ' CB ' ' O ' ' A' ' 137' ' ' ALA . 0.0 OUTLIER -67.61 -48.04 67.94 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -85.75 124.89 32.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.113 . . . . 0.0 110.315 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 162.74 -83.15 0.12 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.516 1.135 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -66.29 146.67 54.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 0.781 . . . . 0.0 109.314 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -44.73 122.69 5.0 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.487 1.117 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 156.38 148.82 5.18 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 23.1 t -162.5 118.64 1.93 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 0.752 . . . . 0.0 110.037 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 14.2 p-80 -167.09 159.28 12.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.615 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -172.08 157.9 4.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.147 . . . . 0.0 109.625 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -133.39 169.45 16.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.571 1.169 . . . . 0.0 109.636 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -142.76 161.91 36.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.607 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 4.6 p-80 -161.12 137.44 8.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.607 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 17.3 t-160 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.601 -179.99 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . 0.528 ' O ' HD12 ' A' ' -2' ' ' LEU . 18.2 Cg_endo -75.04 171.65 17.9 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.511 1.795 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . 0.528 HD12 ' O ' ' A' ' -3' ' ' PRO . 0.0 OUTLIER -172.61 -68.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 109.303 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 156.45 -81.55 0.16 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.452 1.095 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 90.5 p -78.39 -36.25 46.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 0.776 . . . . 0.0 109.958 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 68.21 -65.82 0.25 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -163.77 -176.77 4.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 109.284 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.0 t -144.15 175.56 9.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.43 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.411 ' O ' ' N ' ' A' ' 6' ' ' GLU . 4.1 mt-10 62.17 170.89 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.284 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.829 HG22 ' CD2' ' A' ' 7' ' ' PHE . 0.2 OUTLIER 69.38 -59.71 0.48 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.385 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.579 ' OE2' HD11 ' A' ' 10' ' ' ILE . 0.0 OUTLIER 89.83 -23.55 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.331 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.829 ' CD2' HG22 ' A' ' 5' ' ' THR . 22.1 m-85 -66.04 -54.26 28.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 111.014 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -47.94 -32.12 6.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.337 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.8 ttm180 -76.64 -31.86 57.63 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.529 1.143 . . . . 0.0 110.291 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.579 HD11 ' OE2' ' A' ' 6' ' ' GLU . 59.0 mt -60.53 -43.5 94.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.494 HD23 ' N ' ' A' ' 11' ' ' LEU . 5.2 mt -55.46 -44.27 76.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.451 1.094 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.563 HD12 ' CD1' ' A' ' 16' ' ' ILE . 0.1 OUTLIER -55.26 -52.28 63.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.784 ' HB2' HD21 ' A' ' 44' ' ' LEU . 18.6 m-85 -64.02 -36.18 83.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.127 . . . . 0.0 110.996 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -56.01 -60.0 4.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.329 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.452 ' CG ' ' O ' ' A' ' 12' ' ' LEU . 8.2 pt20 -51.22 -31.33 20.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 110.312 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.563 ' CD1' HD12 ' A' ' 12' ' ' LEU . 22.4 mt -71.7 -51.68 30.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 -48.72 -58.2 5.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.315 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.451 ' NE2' ' HA ' ' A' ' 15' ' ' GLN . 0.1 OUTLIER -59.5 -39.31 83.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.268 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.466 ' O ' ' CB ' ' A' ' 23' ' ' THR . 0.3 OUTLIER -65.6 -40.74 93.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.983 ' HB1' ' HB2' ' A' ' 37' ' ' TRP . . . -73.56 -56.83 4.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.342 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.555 ' HG3' ' CZ2' ' A' ' 37' ' ' TRP . 8.8 tt0 -50.61 -50.15 54.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.436 1.085 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.6 t30 -64.12 -45.97 86.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.696 HG21 ' CG ' ' A' ' 33' ' ' ASN . 2.2 m -56.29 -24.47 43.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.118 . . . . 0.0 110.393 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.451 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 7.6 t80 -52.51 -60.04 3.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.979 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.64 -28.4 68.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.303 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.78 -31.41 68.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.016 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 23' ' ' THR . 1.2 t-20 -168.95 87.8 0.63 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 109.335 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 0.2 9.21 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.453 1.765 . . . . 0.0 110.975 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.79 ' O ' HG21 ' A' ' 70' ' ' ILE . 11.3 mt -93.47 -20.15 20.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.494 ' O ' ' CB ' ' A' ' 34' ' ' LEU . 11.4 t0 -64.84 99.62 0.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.748 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . . . -71.6 -28.14 63.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.76 -55.83 10.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.696 ' CG ' HG21 ' A' ' 23' ' ' THR . 25.3 t-20 -68.84 -34.58 75.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.957 HD21 ' HB3' ' A' ' 66' ' ' GLU . 0.2 OUTLIER -62.66 -56.29 19.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.1 m -58.9 -45.59 89.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.394 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -56.16 -42.66 77.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.281 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.983 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . 12.8 t90 -48.64 -26.58 2.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 107.991 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.497 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -83.95 -59.47 2.08 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.462 1.101 . . . . 0.0 110.997 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 38' ' ' GLY . . . -36.56 -45.84 1.03 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.5 HG22 ' HB3' ' A' ' 13' ' ' PHE . 0.4 OUTLIER -67.41 -48.62 76.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.551 0.795 . . . . 0.0 109.287 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.486 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 16.5 mt -48.21 -44.71 33.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 15.3 mt -65.56 -37.35 86.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.117 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -65.79 -58.91 4.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 110.293 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.784 HD21 ' HB2' ' A' ' 13' ' ' PHE . 67.3 mt -61.86 -27.03 68.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.0 -39.17 71.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.125 . . . . 0.0 110.003 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.509 ' HG2' ' N ' ' A' ' 47' ' ' PHE . 1.1 pt20 -67.9 -32.36 72.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.34 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.509 ' N ' ' HG2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -80.56 -22.11 41.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 111.053 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.455 ' CE1' ' CE2' ' A' ' 47' ' ' PHE . 2.8 m-70 -80.01 -101.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.579 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 53.9 p -179.15 150.38 0.45 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.04 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.88 ' CG1' HD22 ' A' ' 91' ' ' LEU . 0.1 OUTLIER -45.4 -35.22 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 42.9 t -55.22 -56.73 16.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.967 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -81.69 -37.54 27.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.64 ' HB3' ' HA ' ' A' ' 50' ' ' ILE . . . -45.47 -52.16 10.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.469 ' CD ' HG23 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -49.49 -57.52 6.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.581 1.175 . . . . 0.0 109.274 -179.929 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -60.77 -45.04 95.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.325 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.436 ' HE3' ' O ' ' A' ' 41' ' ' LEU . 1.2 mmm -59.72 -34.05 72.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.974 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.819 HG21 ' HB2' ' A' ' 88' ' ' PHE . 26.8 mt -72.61 -47.0 52.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 109.289 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.476 ' O ' HG23 ' A' ' 62' ' ' THR . 2.8 mt-30 -48.38 -54.04 15.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.315 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.442 ' CG ' HD13 ' A' ' 41' ' ' LEU . 3.8 pt-20 -65.73 -35.57 81.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.309 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.425 ' N ' ' HG2' ' A' ' 59' ' ' GLU . . . -59.57 -29.14 67.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.565 HG12 ' CE1' ' A' ' 85' ' ' TYR . 0.5 OUTLIER -76.26 -57.71 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.476 HG23 ' O ' ' A' ' 58' ' ' GLN . 58.5 p -49.89 -23.84 2.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.422 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.557 ' HE3' ' CH2' ' A' ' 37' ' ' TRP . 0.1 OUTLIER -73.13 -51.06 19.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.497 ' CE1' ' HA3' ' A' ' 38' ' ' GLY . 17.1 m-85 -58.67 -42.36 88.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.58 -55.82 10.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.28 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.957 ' HB3' HD21 ' A' ' 34' ' ' LEU . 4.9 tt0 -60.67 -40.89 93.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.298 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.949 ' HB2' ' HG ' ' A' ' 34' ' ' LEU . . . -62.47 -37.88 87.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.611 HD21 HG23 ' A' ' 78' ' ' VAL . 5.6 mt -66.03 -28.68 69.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.439 HD12 ' HA ' ' A' ' 66' ' ' GLU . 0.6 OUTLIER -69.43 -41.62 76.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.79 HG21 ' O ' ' A' ' 29' ' ' LEU . 4.5 mt -64.8 -39.42 85.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -150.03 108.24 3.23 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -11.07 21.4 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.48 1.779 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.3 ptmm? -89.03 2.97 53.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.7 tptp -74.0 84.26 1.76 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.448 ' N ' ' OD1' ' A' ' 75' ' ' ASP . 0.3 OUTLIER -53.95 -38.06 64.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.482 ' HG3' ' CE3' ' A' ' 79' ' ' TRP . 1.7 tp10 -57.69 -51.82 67.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.27 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.443 ' CB ' ' HG ' ' A' ' 68' ' ' LEU . . . -53.08 -32.9 49.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.328 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.986 HG11 ' HB2' ' A' ' 111' ' ' GLN . 28.1 t -74.69 -53.24 17.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 109.263 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.482 ' CE3' ' HG3' ' A' ' 76' ' ' GLU . 0.4 OUTLIER -59.01 -45.5 90.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 107.998 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.494 ' HB3' ' CZ ' ' A' ' 64' ' ' PHE . 0.6 OUTLIER -50.43 -54.12 24.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 0.0 108.325 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.506 ' CD1' HD12 ' A' ' 68' ' ' LEU . 77.1 mt -51.88 -43.3 35.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -68.15 -39.73 88.35 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.519 1.137 . . . . 0.0 111.028 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 52.1 t-20 -64.5 -36.02 82.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.423 0.72 . . . . 0.0 109.309 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.581 ' HB1' HG23 ' A' ' 57' ' ' ILE . . . -68.89 -55.38 11.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.565 ' CE1' HG12 ' A' ' 61' ' ' ILE . 16.6 m-30 -54.25 -47.03 72.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 7.7 m -54.69 -53.07 59.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 110.4 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.403 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 11.3 t -62.36 -52.93 61.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.983 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.819 ' HB2' HG21 ' A' ' 57' ' ' ILE . 35.9 t80 -51.76 -33.3 34.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.661 ' HB1' ' CE2' ' A' ' 102' ' ' PHE . . . -64.1 -50.17 69.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.412 ' O ' ' OH ' ' A' ' 140' ' ' TYR . 32.3 m-85 -54.14 -19.0 4.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.987 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.88 HD22 ' CG1' ' A' ' 50' ' ' ILE . 0.9 OUTLIER -94.53 -21.29 18.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.321 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.412 ' N ' ' O ' ' A' ' 89' ' ' ALA . 0.9 OUTLIER -96.89 116.21 65.99 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.45 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.441 ' O ' ' N ' ' A' ' 95' ' ' GLU . 18.4 Cg_endo -74.96 -24.38 12.98 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.506 1.793 . . . . 0.0 111.042 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -58.86 86.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 93' ' ' PRO . 45.4 mt-10 -40.21 -46.84 2.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 110.306 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.496 HG23 ' N ' ' A' ' 97' ' ' GLU . 14.8 t -52.7 -53.26 50.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 110.386 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.496 ' N ' HG23 ' A' ' 96' ' ' THR . 6.4 mt-10 -70.61 -50.38 37.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 110.284 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -53.09 -54.41 35.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.2 ttmm -59.93 -47.2 86.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.511 ' CD2' ' C ' ' A' ' 100' ' ' HIS . 0.4 OUTLIER -53.01 -40.72 64.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.597 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.401 ' O ' ' N ' ' A' ' 104' ' ' LEU . 0.8 OUTLIER -73.2 -53.95 9.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.815 ' HD1' ' HB1' ' A' ' 132' ' ' ALA . 5.6 m-85 -50.95 -40.21 56.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.4 ' O ' ' HB ' ' A' ' 106' ' ' THR . 1.5 m-20 -74.76 -19.39 60.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.542 HD22 ' HE2' ' A' ' 108' ' ' PHE . 0.3 OUTLIER -77.76 -53.27 7.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -51.53 -25.96 7.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.528 ' OG1' ' CG2' ' A' ' 129' ' ' THR . 2.8 m -62.52 -55.04 31.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.434 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -54.95 -25.01 26.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.128 . . . . 0.0 110.311 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.797 ' HD1' HG13 ' A' ' 78' ' ' VAL . 20.3 m-85 -82.33 -46.36 13.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.998 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.5 ' HB3' HD13 ' A' ' 126' ' ' LEU . 7.7 m-85 -53.99 -28.31 37.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.951 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -71.87 -24.67 61.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.986 ' HB2' HG11 ' A' ' 78' ' ' VAL . 33.6 mt-30 -81.0 -36.0 31.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 110.333 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.43 -52.45 64.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.539 HG12 ' HB3' ' A' ' 122' ' ' TYR . 6.1 m -65.49 -37.23 79.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -45.3 -52.7 9.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -65.44 -43.9 89.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.265 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -153.64 91.01 3.31 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.29 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.473 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.1 Cg_endo -75.07 -4.46 15.42 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.47 1.774 . . . . 0.0 110.97 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.58 -12.2 52.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.31 115.16 4.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 72.4 p -57.64 -38.29 74.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.414 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.475 ' CD2' ' H ' ' A' ' 121' ' ' HIS . 8.6 m-70 -58.21 -59.55 5.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.594 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.539 ' HB3' HG12 ' A' ' 113' ' ' VAL . 11.8 m-30 -53.18 -37.32 61.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.989 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.942 ' O ' HD22 ' A' ' 123' ' ' LEU . 0.0 OUTLIER -60.3 -48.1 83.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.682 ' N ' HD13 ' A' ' 123' ' ' LEU . 0.2 OUTLIER -65.74 -39.29 90.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.422 ' O ' ' OG1' ' A' ' 129' ' ' THR . 0.7 OUTLIER -60.01 -54.49 45.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.962 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.5 HD13 ' HB3' ' A' ' 109' ' ' PHE . 21.0 tp -65.22 -46.43 80.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -50.44 -47.05 56.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.295 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 2.9 mtp -68.38 -28.51 67.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.95 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.528 ' CG2' ' OG1' ' A' ' 106' ' ' THR . 25.8 m -61.37 -22.5 65.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.362 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -51.28 -42.77 61.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.431 1.082 . . . . 0.0 109.303 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.444 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 0.1 OUTLIER -113.86 41.39 2.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.815 ' HB1' ' HD1' ' A' ' 102' ' ' PHE . . . -59.93 -53.56 64.08 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . 0.79 ' HD3' ' HB3' ' A' ' 132' ' ' ALA . 18.3 Cg_endo -74.96 -21.33 16.06 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.488 1.783 . . . . 0.0 111.013 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 64.7 tp60 -80.46 -49.43 11.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.28 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.634 ' O ' ' HB2' ' A' ' 139' ' ' ALA . 6.9 mt -49.77 -42.92 47.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . 0.59 ' HB2' ' CE2' ' A' ' 102' ' ' PHE . 6.7 t-80 -66.63 -42.99 85.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 109.633 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.439 ' O ' ' HB2' ' A' ' 141' ' ' LYS . . . -62.05 -53.58 53.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.457 ' CG ' ' HA ' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -67.77 -37.02 81.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.303 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.634 ' HB2' ' O ' ' A' ' 135' ' ' LEU . . . -57.47 -36.81 71.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.423 1.077 . . . . 0.0 109.286 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . 0.473 ' CD1' ' O ' ' A' ' 136' ' ' HIS . 3.9 m-85 -88.25 -42.57 12.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 111.014 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.439 ' HB2' ' O ' ' A' ' 137' ' ' ALA . 0.0 OUTLIER -62.44 -47.9 82.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.23 104.13 12.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 110.323 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 108.22 135.53 7.61 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.518 1.136 . . . . 0.0 110.957 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.465 HD22 ' HA ' ' A' ' 144' ' ' LEU . 0.3 OUTLIER 78.85 -68.46 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 0.796 . . . . 0.0 109.307 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -60.34 104.7 0.65 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.471 1.107 . . . . 0.0 110.991 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -74.31 -164.04 10.49 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 49.2 86.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 0.764 . . . . 0.0 109.987 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 45.6 p-80 -131.5 172.05 12.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.085 . . . . 0.0 109.576 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -154.19 87.54 1.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.593 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -94.22 120.7 34.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.603 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -116.24 169.18 9.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.093 . . . . 0.0 109.607 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 5.2 t-160 63.53 149.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.607 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 14.9 t60 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.562 -179.943 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 171.25 18.68 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.501 1.79 . . . . 0.0 110.981 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 3.6 mp -151.02 -65.85 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 64.42 -145.71 49.77 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.519 1.137 . . . . 0.0 111.034 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . 0.475 ' HB2' ' CG2' ' A' ' 3' ' ' THR . 68.0 m -73.04 -31.96 64.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 0.756 . . . . 0.0 109.988 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 72.71 -56.62 0.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.979 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -77.52 55.51 1.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.275 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.475 ' CG2' ' HB2' ' A' ' 0' ' ' SER . 77.8 p -103.09 -21.19 13.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.363 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -153.2 131.07 11.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 110.292 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 53.4 m -63.92 -54.53 33.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.425 1.078 . . . . 0.0 110.389 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 173.58 -48.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.334 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.523 ' HA ' HD12 ' A' ' 10' ' ' ILE . 21.8 m-85 -46.07 -54.92 7.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 111.006 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -47.63 -42.47 24.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.463 ' HG2' ' CE2' ' A' ' 13' ' ' PHE . 13.7 ttm180 -71.48 -34.76 70.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.088 . . . . 0.0 110.289 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.764 HG23 ' CD2' ' A' ' 44' ' ' LEU . 90.5 mt -58.97 -45.33 92.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.2 mt -57.12 -34.72 68.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.127 . . . . 0.0 109.261 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.742 ' CD1' HD11 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -66.67 -49.09 67.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.268 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.687 ' HA ' HD12 ' A' ' 16' ' ' ILE . 11.4 m-85 -63.89 -34.67 78.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -55.74 -51.94 65.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 110.328 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.523 ' HG3' ' N ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -63.17 -28.06 69.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.302 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.742 HD11 ' CD1' ' A' ' 12' ' ' LEU . 72.6 mt -71.5 -53.44 20.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.373 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.563 ' HE ' HD21 ' A' ' 41' ' ' LEU . 3.4 ttt180 -55.14 -35.62 64.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 110.326 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.411 ' O ' ' HB3' ' A' ' 22' ' ' ASN . 6.2 tt0 -69.36 -53.89 17.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.297 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.492 ' O ' ' OD1' ' A' ' 22' ' ' ASN . 0.2 OUTLIER -65.01 -31.75 73.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.274 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.565 ' HB1' ' HB2' ' A' ' 37' ' ' TRP . . . -73.61 -46.12 48.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.585 ' HG3' ' CZ2' ' A' ' 37' ' ' TRP . 12.0 tt0 -66.67 -46.26 76.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.3 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.492 ' OD1' ' O ' ' A' ' 19' ' ' ASP . 0.2 OUTLIER -64.97 -42.62 94.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.691 HG21 ' CG ' ' A' ' 33' ' ' ASN . 2.0 m -55.99 -25.06 42.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.425 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -53.05 -60.01 3.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 110.955 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.26 -27.73 69.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.58 -36.16 73.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.049 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -169.47 89.98 0.57 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.329 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 0.63 8.65 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.486 1.782 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.811 ' O ' HG21 ' A' ' 70' ' ' ILE . 10.3 mt -93.54 -19.65 21.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.342 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.41 ' O ' ' CB ' ' A' ' 34' ' ' LEU . 0.5 OUTLIER -65.49 101.85 0.64 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.746 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . . . -72.88 -22.39 60.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -69.85 -56.07 8.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.691 ' CG ' HG21 ' A' ' 23' ' ' THR . 24.1 t-20 -70.81 -35.89 72.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.947 ' HG ' ' HB2' ' A' ' 67' ' ' ALA . 0.7 OUTLIER -61.33 -51.65 67.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.0 m -63.56 -33.06 74.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.402 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.46 -41.84 72.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.286 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.585 ' CZ2' ' HG3' ' A' ' 21' ' ' GLU . 12.0 t90 -50.81 -27.34 7.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 108.024 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.567 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -84.53 -57.18 2.37 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -37.78 -45.77 1.57 Allowed Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.566 HG21 ' HB ' ' A' ' 16' ' ' ILE . 0.5 OUTLIER -67.35 -48.15 78.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.488 0.758 . . . . 0.0 109.279 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.563 HD21 ' HE ' ' A' ' 17' ' ' ARG . 13.5 mt -48.57 -44.16 36.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.468 HD13 ' OD1' ' A' ' 83' ' ' ASN . 14.9 mt -65.5 -37.15 85.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.422 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 18.5 mm-40 -65.55 -58.88 4.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.323 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.764 ' CD2' HG23 ' A' ' 10' ' ' ILE . 20.5 mt -62.04 -26.89 68.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.86 -37.0 63.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.98 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.436 ' HG2' ' N ' ' A' ' 47' ' ' PHE . 5.0 pt20 -67.87 -35.88 79.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.714 ' CE2' ' CD2' ' A' ' 48' ' ' HIS . 0.0 OUTLIER -80.62 -34.94 34.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.977 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.714 ' CD2' ' CE2' ' A' ' 47' ' ' PHE . 4.8 m-70 -78.73 142.77 36.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.591 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.1 m -41.27 152.85 0.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.997 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.982 ' CG1' HD22 ' A' ' 91' ' ' LEU . 0.4 OUTLIER -55.53 -51.16 60.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.462 ' N ' HG22 ' A' ' 50' ' ' ILE . 14.0 t -46.55 -56.36 6.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.994 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.412 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 1.1 m-20 -67.58 -33.17 74.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.628 ' O ' HD12 ' A' ' 57' ' ' ILE . . . -59.2 -38.05 78.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.4 mtpt -65.53 -58.37 5.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.317 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.412 ' HG2' ' O ' ' A' ' 52' ' ' ASP . 6.0 pt20 -59.4 -35.74 74.53 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.427 1.079 . . . . 0.0 110.319 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.421 ' O ' ' HG2' ' A' ' 59' ' ' GLU . 79.4 mtp -68.41 -34.03 75.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 110.991 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.649 HG23 ' HB1' ' A' ' 84' ' ' ALA . 17.4 mt -72.96 -36.53 51.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.266 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -56.39 -54.63 43.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.342 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.766 ' HG3' ' HZ1' ' A' ' 63' ' ' LYS . 2.9 pt-20 -60.96 -33.4 73.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.274 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.48 ' N ' ' HG2' ' A' ' 59' ' ' GLU . . . -60.18 -40.65 90.71 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -65.54 -55.37 20.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 59' ' ' GLU . 61.7 p -49.63 -29.07 6.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.377 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.766 ' HZ1' ' HG3' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -69.42 -49.61 53.54 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.567 ' CE1' ' HA3' ' A' ' 38' ' ' GLY . 19.0 m-85 -60.4 -39.09 86.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 111.023 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -48.77 -55.66 10.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 110.281 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.625 ' HB3' HD21 ' A' ' 34' ' ' LEU . 0.8 OUTLIER -65.14 -39.9 93.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.312 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.947 ' HB2' ' HG ' ' A' ' 34' ' ' LEU . . . -60.06 -34.67 73.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.674 HD21 HG23 ' A' ' 78' ' ' VAL . 5.8 mt -69.0 -30.93 69.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.426 HD12 ' HA ' ' A' ' 66' ' ' GLU . 0.4 OUTLIER -66.82 -31.42 72.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.811 HG21 ' O ' ' A' ' 29' ' ' LEU . 4.5 mt -75.56 -38.13 38.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -152.1 107.31 2.82 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.25 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -16.84 19.98 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.467 1.772 . . . . 0.0 111.065 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.9 pttt -82.88 1.36 39.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.4 75.85 0.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.479 ' HB3' ' CG ' ' A' ' 115' ' ' GLU . 0.0 OUTLIER -51.39 -25.52 6.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.505 ' HG3' ' CE3' ' A' ' 79' ' ' TRP . 8.9 tt0 -70.02 -52.92 20.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.325 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.29 -31.94 35.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.354 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.99 HG11 ' HB2' ' A' ' 111' ' ' GLN . 33.2 t -74.72 -53.51 16.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.505 ' CE3' ' HG3' ' A' ' 76' ' ' GLU . 0.3 OUTLIER -58.19 -46.54 85.6 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.465 ' HB3' ' CZ ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -50.41 -52.97 32.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 108.29 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.628 HG21 ' CZ ' ' A' ' 108' ' ' PHE . 57.7 mt -51.98 -40.38 28.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -70.85 -40.94 63.52 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.48 1.113 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.468 ' OD1' HD13 ' A' ' 42' ' ' LEU . 5.3 t-20 -64.6 -32.88 74.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 0.793 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.649 ' HB1' HG23 ' A' ' 57' ' ' ILE . . . -69.5 -55.59 9.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.72 ' CE2' HD13 ' A' ' 104' ' ' LEU . 8.0 m-85 -59.98 -43.02 95.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 38.6 m -54.8 -46.19 74.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 110.378 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.406 ' O ' ' HB2' ' A' ' 90' ' ' PHE . 4.8 m -67.09 -50.15 62.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.987 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.436 ' HB2' HG21 ' A' ' 57' ' ' ILE . 2.7 t80 -52.57 -38.23 59.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.652 ' HB1' ' CE2' ' A' ' 102' ' ' PHE . . . -57.98 -47.86 81.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.406 ' HB2' ' O ' ' A' ' 87' ' ' SER . 35.1 m-85 -59.78 -20.78 58.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.982 HD22 ' CG1' ' A' ' 50' ' ' ILE . 19.9 mt -94.28 -5.75 46.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -97.24 109.24 48.78 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.399 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.59 ' HA ' ' CE2' ' A' ' 140' ' ' TYR . 18.2 Cg_endo -75.01 -16.93 19.92 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.53 1.805 . . . . 0.0 111.005 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.506 ' O ' ' CG ' ' A' ' 95' ' ' GLU . 13.2 t70 -61.18 -126.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.342 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.506 ' CG ' ' O ' ' A' ' 94' ' ' ASP . 2.4 mt-10 -171.71 -55.88 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 110.329 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.2 t -56.34 -36.8 69.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.113 . . . . 0.0 110.401 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -76.03 -39.35 55.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.271 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -69.44 -55.34 10.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.47 -51.38 55.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.42 ' O ' ' HB2' ' A' ' 104' ' ' LEU . 3.5 t60 -55.7 -49.47 72.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.608 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -58.23 -57.65 11.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.869 ' CD1' ' HB1' ' A' ' 132' ' ' ALA . 13.9 m-85 -50.32 -40.48 48.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 110.955 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.88 -25.9 59.28 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.72 HD13 ' CE2' ' A' ' 85' ' ' TYR . 0.0 OUTLIER -73.65 -53.02 11.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.302 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -58.89 -23.92 61.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.519 ' OG1' ' CG2' ' A' ' 129' ' ' THR . 3.7 m -66.71 -55.24 15.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 110.415 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.403 ' CG ' ' O ' ' A' ' 104' ' ' LEU . 2.2 pt20 -55.49 -23.48 26.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.279 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.868 ' HD1' HG13 ' A' ' 78' ' ' VAL . 17.6 m-85 -82.73 -46.83 12.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.586 ' CE2' ' OG1' ' A' ' 129' ' ' THR . 9.6 m-85 -54.27 -25.34 22.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.157 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.9 -28.18 61.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.99 ' HB2' HG11 ' A' ' 78' ' ' VAL . 35.8 mt-30 -81.67 -33.6 31.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 110.274 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.81 -53.69 54.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.615 HG12 ' HB3' ' A' ' 122' ' ' TYR . 8.1 m -64.61 -37.72 80.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.05 -52.49 8.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.479 ' CG ' ' HB3' ' A' ' 75' ' ' ASP . 5.9 mm-40 -62.76 -40.19 96.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 110.301 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -161.31 92.17 1.47 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.243 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.478 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.4 Cg_endo -75.0 -6.14 17.68 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.531 1.806 . . . . 0.0 111.028 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -85.98 5.88 31.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -83.02 117.75 23.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 81.0 p -57.85 -36.69 72.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.349 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.422 ' CD2' ' H ' ' A' ' 121' ' ' HIS . 9.3 m-70 -62.41 -59.53 4.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.113 . . . . 0.0 109.567 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.615 ' HB3' HG12 ' A' ' 113' ' ' VAL . 8.6 m-30 -54.87 -33.14 61.57 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.983 ' O ' HD22 ' A' ' 123' ' ' LEU . 0.0 OUTLIER -63.92 -44.15 93.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.635 ' N ' HD13 ' A' ' 123' ' ' LEU . 0.5 OUTLIER -70.72 -40.49 72.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.57 ' HB3' ' CE1' ' A' ' 109' ' ' PHE . 1.0 OUTLIER -58.16 -55.47 34.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 110.036 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 19.9 tp -66.3 -42.05 88.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.323 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.431 ' CB ' ' O ' ' A' ' 123' ' ' LEU . 1.1 tp10 -57.44 -47.68 81.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.239 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 3.1 mtp -67.0 -29.13 68.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 110.977 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.586 ' OG1' ' CE2' ' A' ' 109' ' ' PHE . 89.4 m -61.15 -18.49 58.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.406 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -51.48 -62.9 1.34 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.452 ' O ' HD12 ' A' ' 135' ' ' LEU . 1.6 mtmt -91.03 46.85 1.35 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.869 ' HB1' ' CD1' ' A' ' 102' ' ' PHE . . . -63.95 -48.33 78.54 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . 0.653 ' HD3' ' HB3' ' A' ' 132' ' ' ALA . 18.3 Cg_endo -74.97 -25.88 11.5 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.521 1.8 . . . . 0.0 111.049 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 35.0 mm-40 -80.52 -47.37 14.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.259 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.733 ' O ' ' HB2' ' A' ' 139' ' ' ALA . 10.9 mt -49.6 -40.18 37.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . 0.563 ' HB2' ' CE2' ' A' ' 102' ' ' PHE . 43.8 t-80 -66.71 -44.31 81.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.593 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.533 ' O ' ' CB ' ' A' ' 141' ' ' LYS . . . -61.89 -52.97 61.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.504 ' O ' ' CG ' ' A' ' 142' ' ' GLN . 0.0 OUTLIER -69.3 -26.69 64.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.26 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.733 ' HB2' ' O ' ' A' ' 135' ' ' LEU . . . -62.09 -49.78 74.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . 0.59 ' CE2' ' HA ' ' A' ' 93' ' ' PRO . 6.7 m-85 -87.35 -40.81 14.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.533 ' CB ' ' O ' ' A' ' 137' ' ' ALA . 1.3 ttpp -55.2 -47.56 75.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . 0.504 ' CG ' ' O ' ' A' ' 138' ' ' GLU . 7.1 pt20 -68.51 127.27 32.41 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.137 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 145' ' ' GLY . . . 173.79 101.87 0.15 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.49 1.119 . . . . 0.0 111.01 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 67.95 -70.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 0.761 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 143' ' ' GLY . . . -175.13 -122.58 0.7 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.453 1.096 . . . . 0.0 111.003 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 119.82 -123.87 5.76 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -164.29 105.8 0.88 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.427 0.722 . . . . 0.0 109.991 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 -178.2 160.16 1.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 109.601 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 54.4 m-70 61.56 87.31 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.598 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -171.01 62.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.552 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -71.04 -62.64 1.32 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.56 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 74.88 -63.45 0.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.596 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.575 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 124.03 8.32 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.488 1.783 . . . . 0.0 110.974 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' -1' ' ' GLY . 0.1 OUTLIER -175.92 91.97 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' -2' ' ' LEU . . . -37.96 128.67 1.56 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.537 1.148 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.5 -33.99 58.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 0.782 . . . . 0.0 110.02 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mtp 47.4 -174.52 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 110.981 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 71.56 -61.59 0.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 43.8 p -132.3 127.53 35.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 110.389 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -164.61 151.14 10.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.335 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.537 ' O ' ' CB ' ' A' ' 6' ' ' GLU . 44.6 m -93.33 7.35 44.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 110.416 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.537 ' CB ' ' O ' ' A' ' 5' ' ' THR . 0.5 OUTLIER 89.35 -26.57 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.416 ' N ' ' HG2' ' A' ' 6' ' ' GLU . 22.0 m-85 -62.53 -54.93 32.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -49.48 -39.76 34.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.317 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.0 ttm180 -68.83 -34.62 75.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.668 HG23 ' CD2' ' A' ' 44' ' ' LEU . 25.1 mt -64.96 -34.75 72.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.409 HD23 ' N ' ' A' ' 11' ' ' LEU . 6.8 mt -68.05 -38.16 82.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.649 ' CD1' HD11 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -61.32 -48.84 79.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.334 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.598 ' HD1' HG23 ' A' ' 40' ' ' VAL . 14.2 m-85 -63.99 -36.47 84.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.479 ' CG ' ' O ' ' A' ' 10' ' ' ILE . 2.3 mm-40 -57.45 -55.61 32.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 110.285 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.452 ' HG3' ' N ' ' A' ' 16' ' ' ILE . 8.6 pt20 -56.74 -29.8 62.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.32 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.649 HD11 ' CD1' ' A' ' 12' ' ' LEU . 50.6 mt -71.4 -54.79 16.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.342 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' A' ' 21' ' ' GLU . 4.4 ttt180 -56.46 -51.79 67.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 110.317 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.433 ' O ' ' ND2' ' A' ' 22' ' ' ASN . 9.3 tt0 -49.2 -48.52 45.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.307 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.9 -54.49 11.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.802 ' HB1' ' HB2' ' A' ' 37' ' ' TRP . . . -49.6 -36.82 25.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.549 ' HG3' ' CZ2' ' A' ' 37' ' ' TRP . 3.1 tt0 -66.38 -40.6 89.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.433 ' ND2' ' O ' ' A' ' 18' ' ' GLN . 1.5 m120 -73.38 -25.96 60.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.851 HG22 ' OD2' ' A' ' 30' ' ' ASP . 46.3 m -64.75 -22.89 67.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.383 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.487 ' CE1' HD21 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -63.05 -63.7 1.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 111.019 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -23.39 63.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.261 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.86 -30.04 35.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 0.0 110.024 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.425 ' O ' ' CG ' ' A' ' 30' ' ' ASP . 0.8 OUTLIER -169.78 94.4 0.51 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -7.88 19.59 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.495 1.787 . . . . 0.0 111.002 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.592 ' O ' HG21 ' A' ' 70' ' ' ILE . 12.3 mt -91.95 3.1 55.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.851 ' OD2' HG22 ' A' ' 23' ' ' THR . 38.1 p-10 -81.72 98.4 8.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.742 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . . . -75.95 -51.9 11.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.438 ' HA ' ' CE ' ' A' ' 74' ' ' LYS . 26.2 t70 -47.89 -56.28 7.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.515 ' CG ' HG21 ' A' ' 23' ' ' THR . 3.9 m120 -59.57 -35.67 74.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.701 ' HB3' ' HB2' ' A' ' 67' ' ' ALA . 0.9 OUTLIER -60.27 -49.32 78.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 39.4 m -58.38 -37.85 76.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.38 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -70.47 -47.12 62.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.315 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.802 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . 16.3 t90 -54.23 -26.93 31.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 108.018 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.53 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -86.82 -56.01 2.3 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.521 1.138 . . . . 0.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -46.33 -39.92 10.29 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.598 HG23 ' HD1' ' A' ' 13' ' ' PHE . 3.8 p -67.41 -48.65 76.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.51 0.771 . . . . 0.0 109.268 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.84 HD22 ' HG2' ' A' ' 56' ' ' MET . 20.6 mt -48.75 -49.03 40.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.446 HD13 ' OD1' ' A' ' 83' ' ' ASN . 18.6 mt -58.03 -45.58 86.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 109.262 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.568 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 7.5 mm-40 -55.45 -53.91 50.37 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 110.295 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.668 ' CD2' HG23 ' A' ' 10' ' ' ILE . 34.2 mt -61.66 -38.18 86.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.37 -15.11 22.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.97 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.596 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 3.3 tt0 -67.94 -8.23 35.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.262 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.596 ' CZ ' ' HB3' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -158.21 66.38 0.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 110.974 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.635 ' O ' ' C ' ' A' ' 49' ' ' SER . 28.3 m-70 -157.12 122.17 4.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.627 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.635 ' C ' ' O ' ' A' ' 48' ' ' HIS . 20.2 m -17.11 126.48 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 110.021 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.93 ' CG1' HD22 ' A' ' 91' ' ' LEU . 0.3 OUTLIER -46.64 -45.84 7.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 41.6 t -47.08 -50.65 19.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.034 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -77.33 -40.13 45.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.573 ' HB2' ' O ' ' A' ' 48' ' ' HIS . . . -46.77 -54.6 9.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.437 ' CD ' HG23 ' A' ' 50' ' ' ILE . 0.5 OUTLIER -51.69 -58.21 7.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.4 ' HA ' ' NE2' ' A' ' 55' ' ' GLN . 23.2 mm-40 -50.6 -44.82 57.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.341 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.84 ' HG2' HD22 ' A' ' 41' ' ' LEU . 2.2 ttp -64.74 -34.22 77.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 111.018 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.789 HG21 ' HB2' ' A' ' 88' ' ' PHE . 40.2 mt -73.06 -52.5 21.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -46.89 -55.05 8.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.314 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.514 ' HG3' ' HZ1' ' A' ' 63' ' ' LYS . 3.1 pt-20 -59.15 -37.53 77.54 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.512 1.133 . . . . 0.0 110.281 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.447 ' N ' ' HG2' ' A' ' 59' ' ' GLU . . . -59.9 -28.53 67.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.557 HG12 ' CE1' ' A' ' 85' ' ' TYR . 1.1 mt -78.16 -54.5 12.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 42.3 p -48.99 -29.27 4.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.39 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.616 ' O ' HD22 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -73.12 -47.48 43.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.27 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.582 ' CZ ' ' HB3' ' A' ' 80' ' ' CYS . 21.9 m-85 -56.37 -38.46 71.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 110.986 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -55.96 -51.13 68.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.323 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.72 ' HA ' HD12 ' A' ' 69' ' ' LEU . 1.2 tp10 -61.43 -37.96 85.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.269 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.701 ' HB2' ' HB3' ' A' ' 34' ' ' LEU . . . -62.35 -42.5 99.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.736 HD21 HG23 ' A' ' 78' ' ' VAL . 19.7 mt -62.88 -29.26 70.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.72 HD12 ' HA ' ' A' ' 66' ' ' GLU . 67.4 mt -68.87 -42.12 77.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.742 ' HB ' ' HB2' ' A' ' 31' ' ' ALA . 6.0 mt -65.15 -42.77 95.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.345 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -154.52 116.14 2.49 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 -5.5 16.86 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.488 1.783 . . . . 0.0 110.984 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 75' ' ' ASP . 9.6 mmmm -82.8 -4.28 57.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.438 ' CE ' ' HA ' ' A' ' 32' ' ' ASP . 3.9 tptp -68.08 70.46 0.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.256 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.6 OUTLIER -52.09 -36.32 50.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.511 ' HG3' ' CE3' ' A' ' 79' ' ' TRP . 30.8 tt0 -62.22 -49.32 76.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.147 . . . . 0.0 110.334 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.47 -32.24 38.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.361 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.96 HG11 ' HB2' ' A' ' 111' ' ' GLN . 25.0 t -74.46 -53.26 17.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.349 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.511 ' CE3' ' HG3' ' A' ' 76' ' ' GLU . 0.4 OUTLIER -58.99 -47.35 85.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 107.969 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.582 ' HB3' ' CZ ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -51.01 -50.42 58.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 108.291 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.472 HG23 ' CZ ' ' A' ' 85' ' ' TYR . 45.6 mt -51.9 -45.4 39.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -64.83 -40.82 97.6 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.488 1.117 . . . . 0.0 111.026 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.446 ' OD1' HD13 ' A' ' 42' ' ' LEU . 14.7 t-20 -64.4 -37.0 86.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 0.757 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.517 ' HB1' HG23 ' A' ' 57' ' ' ILE . . . -66.01 -55.03 18.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.557 ' CE1' HG12 ' A' ' 61' ' ' ILE . 18.8 m-30 -54.2 -45.59 72.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 0.0 110.978 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.781 HG23 ' CE1' ' A' ' 102' ' ' PHE . 25.7 m -57.58 -50.88 71.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.393 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 16.9 t -61.95 -51.22 69.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.004 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.789 ' HB2' HG21 ' A' ' 57' ' ' ILE . 50.5 t80 -56.36 -31.58 63.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 110.995 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.85 -50.81 67.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.437 ' O ' ' CE1' ' A' ' 140' ' ' TYR . 39.8 m-85 -53.73 -25.06 16.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 111.022 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.93 HD22 ' CG1' ' A' ' 50' ' ' ILE . 19.0 mt -89.7 -19.93 24.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -92.2 118.05 67.96 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 110.361 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.59 ' HA ' ' CE2' ' A' ' 140' ' ' TYR . 18.3 Cg_endo -74.97 -23.95 13.36 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.485 1.781 . . . . 0.0 111.005 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.45 84.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 93' ' ' PRO . 47.4 mt-10 -38.71 -47.69 1.39 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 110.316 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.2 m -52.87 -54.7 30.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 110.355 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -66.62 -50.22 63.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.473 ' HB1' ' CD2' ' A' ' 136' ' ' HIS . . . -53.06 -53.32 51.96 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.507 1.13 . . . . 0.0 109.306 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -59.52 -50.01 75.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -48.74 -49.0 40.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.56 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -57.11 -56.26 24.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.83 ' HB3' ' HB1' ' A' ' 132' ' ' ALA . 8.1 m-85 -51.01 -41.84 60.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 111.005 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.4 ' O ' ' HB ' ' A' ' 106' ' ' THR . 0.4 OUTLIER -74.17 -19.2 60.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.504 HD23 ' HG2' ' A' ' 107' ' ' GLN . 0.0 OUTLIER -80.51 -49.75 10.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.632 ' HB1' ' CZ ' ' A' ' 109' ' ' PHE . . . -54.47 -24.16 19.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.4 ' HB ' ' O ' ' A' ' 103' ' ' ASP . 1.8 m -59.25 -54.97 40.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.41 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.504 ' HG2' HD23 ' A' ' 104' ' ' LEU . 0.9 OUTLIER -58.37 -23.22 56.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.273 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.688 ' HD1' HG13 ' A' ' 78' ' ' VAL . 8.0 m-85 -82.93 -47.08 12.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 110.964 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.632 ' CZ ' ' HB1' ' A' ' 105' ' ' ALA . 22.1 m-85 -53.25 -38.07 62.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 110.989 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -55.09 -32.28 61.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.96 ' HB2' HG11 ' A' ' 78' ' ' VAL . 59.8 mt-30 -76.99 -40.47 46.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.326 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.57 -55.04 26.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.667 HG12 ' HB3' ' A' ' 122' ' ' TYR . 12.1 m -65.9 -33.23 62.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.279 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.22 -44.33 7.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 109.249 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.417 ' C ' ' HG2' ' A' ' 116' ' ' GLN . 17.7 mm-40 -74.89 -44.06 50.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 110.316 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.417 ' HG2' ' C ' ' A' ' 115' ' ' GLU . 1.0 OUTLIER -139.13 81.96 20.3 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.264 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.488 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.2 Cg_endo -74.95 -1.05 10.7 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.478 1.778 . . . . 0.0 110.972 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -105.72 -12.08 16.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -61.57 129.93 43.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 73.8 p -56.92 -53.72 54.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.405 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.45 ' CD2' ' H ' ' A' ' 121' ' ' HIS . 9.7 m-70 -54.46 -60.18 3.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.576 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.667 ' HB3' HG12 ' A' ' 113' ' ' VAL . 7.6 m-30 -53.65 -24.9 15.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.941 ' O ' HD22 ' A' ' 123' ' ' LEU . 0.0 OUTLIER -75.04 -50.14 17.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.658 ' N ' HD13 ' A' ' 123' ' ' LEU . 7.6 tptt -60.82 -45.65 93.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.407 ' OG ' ' O ' ' A' ' 121' ' ' HIS . 0.0 OUTLIER -55.64 -40.26 71.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.027 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.54 ' O ' HG23 ' A' ' 129' ' ' THR . 48.3 tp -73.28 -56.99 4.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -51.07 -30.55 16.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.342 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.85 -27.32 29.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.612 ' HA ' ' HB2' ' A' ' 132' ' ' ALA . 71.3 p -67.93 -23.42 65.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.428 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -46.79 -56.99 5.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 11.0 mtmm -111.56 47.27 1.04 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.867 ' HB3' ' HD3' ' A' ' 133' ' ' PRO . . . -62.98 -55.21 39.72 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . 0.867 ' HD3' ' HB3' ' A' ' 132' ' ' ALA . 18.3 Cg_endo -75.03 -22.04 15.18 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.504 1.792 . . . . 0.0 111.05 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . 0.457 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 69.1 tp60 -80.33 -50.93 9.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 110.269 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.718 ' O ' ' HB2' ' A' ' 139' ' ' ALA . 45.6 mt -49.03 -40.97 33.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . 0.473 ' CD2' ' HB1' ' A' ' 98' ' ' ALA . 45.8 t-80 -68.61 -44.72 73.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 109.636 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.501 ' O ' ' CB ' ' A' ' 141' ' ' LYS . . . -61.81 -51.82 66.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.468 ' CG ' ' HA ' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -69.19 -27.09 65.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.271 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.718 ' HB2' ' O ' ' A' ' 135' ' ' LEU . . . -63.68 -49.04 74.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . 0.59 ' CE2' ' HA ' ' A' ' 93' ' ' PRO . 5.6 m-85 -86.0 -39.2 17.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.501 ' CB ' ' O ' ' A' ' 137' ' ' ALA . 0.1 OUTLIER -63.64 -47.94 79.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.263 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . 0.448 ' CB ' ' O ' ' A' ' 138' ' ' GLU . 0.0 OUTLIER -85.42 130.39 34.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.297 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -45.51 122.0 5.25 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 4.0 tp -168.31 -63.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 0.753 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -111.1 -176.69 20.43 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.438 1.086 . . . . 0.0 110.965 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -92.11 148.12 19.03 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.95 170.43 4.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 0.74 . . . . 0.0 110.026 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 66.05 142.6 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.591 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -121.33 -61.94 1.48 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.623 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 69.01 103.12 0.06 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 109.636 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 10.3 p-80 -167.87 143.01 3.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.092 . . . . 0.0 109.562 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 3.6 p-80 -143.38 146.4 33.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.605 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.622 -179.944 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 109.54 2.95 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.554 1.818 . . . . 0.0 111.034 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -156.14 -62.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -174.46 58.36 0.13 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.518 1.137 . . . . 0.0 111.009 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 5.7 t -76.74 -24.59 53.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 0.781 . . . . 0.0 110.008 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.37 137.68 38.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 111.001 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.673 ' O ' HG22 ' A' ' 3' ' ' THR . 0.4 OUTLIER -173.8 -61.33 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 109.286 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.673 HG22 ' O ' ' A' ' 2' ' ' ASP . 0.6 OUTLIER 86.0 161.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 110.41 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.499 ' O ' ' CB ' ' A' ' 5' ' ' THR . 0.1 OUTLIER 178.38 113.09 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.315 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.532 ' O ' ' CB ' ' A' ' 6' ' ' GLU . 2.0 m 82.06 -5.36 1.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 0.0 110.421 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.598 ' OE2' ' CD2' ' A' ' 47' ' ' PHE . 1.3 pt-20 88.36 -35.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.456 ' N ' ' HG2' ' A' ' 6' ' ' GLU . 17.8 m-30 -49.74 -53.54 24.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 110.973 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.42 -40.89 19.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.256 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 -73.26 -35.89 66.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.09 . . . . 0.0 110.283 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 1.092 HG23 ' CD2' ' A' ' 44' ' ' LEU . 54.6 mt -59.53 -34.6 55.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.525 HD23 ' N ' ' A' ' 11' ' ' LEU . 3.9 mt -63.77 -39.93 95.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.815 HD12 HD12 ' A' ' 16' ' ' ILE . 0.2 OUTLIER -58.35 -48.66 79.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.685 ' O ' HG21 ' A' ' 40' ' ' VAL . 20.3 m-85 -63.83 -27.36 69.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.984 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -67.17 -57.9 5.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.331 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.461 ' CG ' ' O ' ' A' ' 12' ' ' LEU . 6.6 pt20 -50.96 -35.27 32.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.323 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.815 HD12 HD12 ' A' ' 12' ' ' LEU . 18.7 mt -71.22 -52.58 25.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.6 ttt180 -55.36 -32.44 62.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 110.286 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.402 ' O ' ' HB3' ' A' ' 22' ' ' ASN . 13.7 tp60 -69.17 -53.16 21.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.297 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.497 ' O ' ' CB ' ' A' ' 23' ' ' THR . 0.2 OUTLIER -69.44 -29.77 67.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.56 ' HB1' ' HB2' ' A' ' 37' ' ' TRP . . . -73.61 -45.81 50.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.579 ' HG3' ' CZ2' ' A' ' 37' ' ' TRP . 18.0 tt0 -66.64 -45.88 77.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.326 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.486 ' OD1' ' O ' ' A' ' 19' ' ' ASP . 0.2 OUTLIER -66.3 -39.76 89.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.907 HG21 ' CG ' ' A' ' 33' ' ' ASN . 1.3 m -56.05 -23.29 32.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.393 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -55.95 -60.81 2.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.985 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.426 ' CD ' ' O ' ' A' ' 22' ' ' ASN . 0.0 OUTLIER -56.76 -26.49 57.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.332 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.53 -35.65 73.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.037 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.468 ' O ' ' CG ' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -169.4 96.2 0.51 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -0.16 9.61 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.489 1.784 . . . . 0.0 110.999 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.687 ' O ' HG21 ' A' ' 70' ' ' ILE . 11.8 mt -101.98 13.51 34.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.537 ' OD2' HG22 ' A' ' 23' ' ' THR . 46.6 p30 -90.86 98.29 11.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.713 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . . . -71.83 -27.04 62.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.327 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -71.42 -52.16 20.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.907 ' CG ' HG21 ' A' ' 23' ' ' THR . 0.4 OUTLIER -71.11 -37.56 72.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 1.021 ' HG ' ' HB2' ' A' ' 67' ' ' ALA . 3.4 tp -61.3 -49.34 77.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.472 HG22 ' OE2' ' A' ' 76' ' ' GLU . 2.0 m -62.91 -36.58 83.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.387 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.51 -44.51 67.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 110.308 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.579 ' CZ2' ' HG3' ' A' ' 21' ' ' GLU . 12.8 t90 -52.29 -28.07 17.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 108.003 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.552 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -85.74 -50.36 3.99 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.512 1.132 . . . . 0.0 111.025 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -42.68 -44.59 5.46 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.685 HG21 ' O ' ' A' ' 13' ' ' PHE . 4.6 p -67.34 -47.66 80.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.771 . . . . 0.0 109.315 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.473 ' CD1' ' OE2' ' A' ' 59' ' ' GLU . 15.2 mt -49.53 -43.67 45.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.0 mt -61.72 -37.21 83.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.457 ' CD ' ' CZ ' ' A' ' 13' ' ' PHE . 5.1 mm-40 -65.73 -57.06 8.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 110.306 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 1.092 ' CD2' HG23 ' A' ' 10' ' ' ILE . 48.1 mt -62.07 -31.31 71.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 31.3 m -53.76 -18.86 3.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 110.035 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.649 ' HB2' ' CE1' ' A' ' 47' ' ' PHE . 42.4 mt-30 -67.8 -5.56 16.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.303 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.649 ' CE1' ' HB2' ' A' ' 46' ' ' GLN . 1.9 m-85 -157.47 -137.51 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.464 ' O ' ' CB ' ' A' ' 49' ' ' SER . 2.9 m-70 58.54 16.0 3.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.601 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' A' ' 48' ' ' HIS . 3.6 t 83.81 134.59 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.997 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.902 ' CG1' HD22 ' A' ' 91' ' ' LEU . 0.2 OUTLIER -54.74 -39.94 49.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 37.6 t -52.57 -57.55 9.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.073 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.401 ' HB2' ' O ' ' A' ' 48' ' ' HIS . 0.2 OUTLIER -73.4 -42.68 61.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.52 ' HB3' ' HA ' ' A' ' 50' ' ' ILE . . . -46.17 -52.43 12.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.52 ' CD ' HG23 ' A' ' 50' ' ' ILE . 37.3 mtpt -53.87 -56.71 15.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 27.2 mm100 -51.07 -42.05 60.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.278 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.4 mtm -62.18 -34.48 76.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 110.99 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.941 HG21 ' HB2' ' A' ' 88' ' ' PHE . 43.9 mt -72.73 -47.49 49.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 109.338 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -48.4 -54.05 15.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.473 ' OE2' ' CD1' ' A' ' 41' ' ' LEU . 5.4 pt-20 -65.64 -34.34 77.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 0.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.432 ' O ' ' CD2' ' A' ' 64' ' ' PHE . . . -59.56 -34.16 72.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -74.62 -57.68 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.403 ' OG1' ' HA ' ' A' ' 59' ' ' GLU . 50.1 p -50.89 -29.81 12.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 110.393 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.578 ' HE3' ' CH2' ' A' ' 37' ' ' TRP . 0.3 OUTLIER -68.83 -47.5 65.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.595 ' CZ ' ' HB3' ' A' ' 80' ' ' CYS . 23.2 m-85 -59.98 -40.09 87.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.443 1.089 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -49.76 -55.09 15.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.274 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.509 ' HB3' HD21 ' A' ' 34' ' ' LEU . 6.9 tp10 -63.5 -36.06 82.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 110.312 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 1.021 ' HB2' ' HG ' ' A' ' 34' ' ' LEU . . . -63.06 -39.86 95.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.642 HD21 HG23 ' A' ' 78' ' ' VAL . 10.5 mt -63.54 -30.54 71.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' A' ' 66' ' ' GLU . 0.5 OUTLIER -67.07 -35.15 79.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.713 ' HB ' ' HB2' ' A' ' 31' ' ' ALA . 4.5 mt -74.95 -42.72 46.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -144.43 105.11 4.67 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.245 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -19.06 18.19 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.493 1.786 . . . . 0.0 110.961 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -82.63 1.87 36.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.8 tptp -74.07 76.66 1.73 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.477 ' HB3' ' CG ' ' A' ' 115' ' ' GLU . 0.5 OUTLIER -51.95 -26.57 10.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.475 ' HG2' ' CE3' ' A' ' 79' ' ' TRP . 2.2 tt0 -63.77 -53.66 47.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.89 -32.57 45.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.235 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.883 HG11 ' HG2' ' A' ' 111' ' ' GLN . 55.7 t -74.52 -52.9 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.475 ' CE3' ' HG2' ' A' ' 76' ' ' GLU . 0.4 OUTLIER -59.08 -50.39 74.23 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.595 ' HB3' ' CZ ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -50.42 -52.71 35.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 108.305 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.901 HG21 ' CZ ' ' A' ' 108' ' ' PHE . 44.7 mt -51.8 -33.14 15.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -76.95 -45.14 12.38 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.502 1.127 . . . . 0.0 111.021 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -64.57 -31.35 72.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 0.741 . . . . 0.0 109.301 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.421 ' HB1' HG23 ' A' ' 57' ' ' ILE . . . -68.14 -55.5 12.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.55 ' CE2' HD13 ' A' ' 104' ' ' LEU . 6.3 m-85 -56.46 -40.08 74.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 111.014 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 88.2 m -58.9 -50.88 72.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.452 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 48.2 m -62.41 -51.56 67.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.976 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.941 ' HB2' HG21 ' A' ' 57' ' ' ILE . 40.0 t80 -53.3 -33.81 54.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 111.037 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.94 -50.97 66.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.401 ' O ' ' CE1' ' A' ' 140' ' ' TYR . 39.5 m-85 -55.22 -18.08 5.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 111.049 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.902 HD22 ' CG1' ' A' ' 50' ' ' ILE . 43.3 mt -95.18 -20.57 19.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -95.29 117.82 66.57 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.51 1.131 . . . . 0.0 110.407 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.417 ' HA ' ' CE2' ' A' ' 140' ' ' TYR . 18.4 Cg_endo -74.98 -25.09 12.23 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.47 1.774 . . . . 0.0 111.012 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.45 88.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 93' ' ' PRO . 44.8 mt-10 -40.12 -47.69 2.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.264 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.3 m -52.9 -57.71 9.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.409 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -65.19 -38.1 89.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 110.253 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.23 -53.49 56.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.34 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.87 -51.8 68.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.443 ' CD2' ' C ' ' A' ' 100' ' ' HIS . 1.4 t60 -48.84 -39.8 26.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 109.545 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -66.98 -54.97 16.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.709 ' HB3' ' HB1' ' A' ' 132' ' ' ALA . 34.1 m-85 -50.96 -40.53 57.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -73.85 -20.0 60.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.55 HD13 ' CE2' ' A' ' 85' ' ' TYR . 0.0 OUTLIER -78.52 -49.23 13.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.573 ' HB1' ' CZ ' ' A' ' 109' ' ' PHE . . . -58.56 -24.3 60.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.8 m -60.78 -55.42 33.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.43 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.45 ' HG3' ' N ' ' A' ' 108' ' ' PHE . 0.0 OUTLIER -53.5 -26.27 20.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.283 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.901 ' CZ ' HG21 ' A' ' 81' ' ' ILE . 33.3 m-85 -84.07 -47.76 10.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 110.961 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.897 ' HB3' HD22 ' A' ' 126' ' ' LEU . 19.6 m-85 -55.93 -51.33 68.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.975 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.5 ' HA ' HD21 ' A' ' 126' ' ' LEU . 0.1 OUTLIER -65.32 -25.95 67.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.127 . . . . 0.0 110.269 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.883 ' HG2' HG11 ' A' ' 78' ' ' VAL . 2.3 tt0 -81.79 -37.68 26.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.328 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.59 -54.4 28.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.968 HG12 ' HB3' ' A' ' 122' ' ' TYR . 6.4 m -55.91 -36.53 44.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -44.72 -34.98 2.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.477 ' CG ' ' HB3' ' A' ' 75' ' ' ASP . 31.9 mm-40 -75.04 -40.67 60.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.082 . . . . 0.0 110.339 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.483 ' O ' ' CG ' ' A' ' 116' ' ' GLN . 1.8 tt0 -157.05 86.72 2.78 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.254 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -0.89 10.54 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.526 1.803 . . . . 0.0 111.005 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.62 -0.75 55.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -87.07 118.7 26.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 45.0 p -54.63 -52.7 61.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.364 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.46 ' CD2' ' H ' ' A' ' 121' ' ' HIS . 9.9 m-70 -50.94 -47.41 61.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 109.591 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.968 ' HB3' HG12 ' A' ' 113' ' ' VAL . 7.2 m-30 -62.77 -24.59 67.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.975 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.885 ' O ' HD22 ' A' ' 123' ' ' LEU . 0.0 OUTLIER -76.97 -51.71 10.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.797 ' N ' HD13 ' A' ' 123' ' ' LEU . 1.5 tptp -54.16 -41.66 68.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.51 ' O ' HG23 ' A' ' 129' ' ' THR . 1.2 m -55.82 -40.18 72.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.999 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.897 HD22 ' HB3' ' A' ' 109' ' ' PHE . 0.2 OUTLIER -68.65 -43.09 76.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.26 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 130' ' ' ALA . 1.5 tp10 -68.09 -41.72 81.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 110.249 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.4 -31.95 4.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 111.037 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.563 ' HA ' ' HB2' ' A' ' 132' ' ' ALA . 10.2 p -68.58 -30.76 69.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.409 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 127' ' ' GLU . . . -40.72 -43.24 1.93 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.491 ' O ' HD12 ' A' ' 135' ' ' LEU . 0.0 OUTLIER -122.16 47.56 1.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.781 ' HB3' ' HD3' ' A' ' 133' ' ' PRO . . . -64.29 -51.75 59.1 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . 0.781 ' HD3' ' HB3' ' A' ' 132' ' ' ALA . 18.3 Cg_endo -74.99 -24.14 13.12 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.494 1.786 . . . . 0.0 110.978 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . 0.48 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 30.7 mm-40 -80.37 -50.12 10.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 0.0 110.248 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.66 ' O ' ' HB2' ' A' ' 139' ' ' ALA . 11.8 mt -48.31 -44.16 33.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . 0.424 ' HB2' ' CE2' ' A' ' 102' ' ' PHE . 16.0 t-80 -66.8 -44.19 81.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.586 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.427 ' O ' ' HB2' ' A' ' 141' ' ' LYS . . . -61.88 -53.03 61.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 109.329 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.48 ' CG ' ' O ' ' A' ' 134' ' ' GLN . 0.1 OUTLIER -68.16 -28.43 67.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 110.289 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.66 ' HB2' ' O ' ' A' ' 135' ' ' LEU . . . -66.85 -41.04 88.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . 0.417 ' CE2' ' HA ' ' A' ' 93' ' ' PRO . 4.0 m-85 -87.71 -31.09 19.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.427 ' HB2' ' O ' ' A' ' 137' ' ' ALA . 0.0 OUTLIER -70.88 -48.56 53.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.336 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -83.33 103.54 12.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -91.78 -60.34 1.28 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.52 1.138 . . . . 0.0 111.021 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 7.1 mt -65.82 118.06 9.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 0.758 . . . . 0.0 109.29 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -147.81 -77.38 0.02 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.53 1.144 . . . . 0.0 110.965 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -90.98 128.2 9.2 Favored Glycine 0 CA--C 1.531 1.043 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 87.7 p -89.92 73.88 7.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 0.746 . . . . 0.0 109.989 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 40.6 t-80 -170.2 159.76 7.54 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 109.582 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -49.3 99.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.63 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -129.36 119.91 24.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.616 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -78.39 72.0 4.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 109.576 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -112.6 114.47 27.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.615 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 28.5 t-80 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.603 -179.96 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 138.62 23.22 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.504 1.792 . . . . 0.0 110.985 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -166.84 116.71 0.89 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 109.255 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 152.74 175.41 24.21 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 8.8 m -76.83 -36.98 56.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 0.754 . . . . 0.0 110.011 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER 56.17 165.08 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 111.026 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -178.08 -60.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.2 t -81.69 165.1 21.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.407 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -154.54 158.52 39.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.275 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.483 ' O ' ' CB ' ' A' ' 6' ' ' GLU . 9.7 m -144.38 18.78 1.71 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 0.0 110.445 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.483 ' CB ' ' O ' ' A' ' 5' ' ' THR . 0.7 OUTLIER 85.06 -45.54 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 110.289 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.445 ' N ' ' HG2' ' A' ' 6' ' ' GLU . 12.9 m-85 -46.21 -54.41 8.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -48.05 -41.8 26.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 -71.56 -33.94 69.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 110.295 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.638 HG23 ' CD2' ' A' ' 44' ' ' LEU . 10.7 mt -60.15 -45.41 95.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.418 1.074 . . . . 0.0 109.275 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.3 mt -57.86 -37.04 73.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.505 ' CD1' HD11 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -60.16 -52.29 65.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.351 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.685 ' HD1' HG23 ' A' ' 40' ' ' VAL . 20.2 m-85 -63.95 -28.13 69.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.972 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -65.71 -59.85 3.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.508 ' HG3' ' N ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -50.8 -30.78 15.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 110.291 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.508 ' N ' ' HG3' ' A' ' 15' ' ' GLN . 23.9 mt -71.49 -52.99 22.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.462 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 10.4 ttt180 -55.41 -54.11 47.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.316 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -50.59 -55.03 18.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.108 . . . . 0.0 110.313 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.598 ' HA ' ' OD1' ' A' ' 22' ' ' ASN . 0.2 OUTLIER -57.45 -43.15 83.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.651 ' HB1' ' CG ' ' A' ' 37' ' ' TRP . . . -50.6 -43.19 56.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.645 ' HG2' ' CZ2' ' A' ' 37' ' ' TRP . 2.0 mt-10 -66.74 -39.43 87.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.321 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.598 ' OD1' ' HA ' ' A' ' 19' ' ' ASP . 0.1 OUTLIER -73.99 -36.38 64.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.489 HG23 ' OD2' ' A' ' 30' ' ' ASP . 0.5 OUTLIER -63.62 -23.61 67.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.158 . . . . 0.0 110.402 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.41 ' CD1' ' HZ3' ' A' ' 37' ' ' TRP . 0.1 OUTLIER -54.81 -60.57 3.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 110.993 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.03 -24.38 67.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.39 -32.46 60.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.982 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.506 ' O ' ' CG ' ' A' ' 30' ' ' ASP . 0.6 OUTLIER -168.97 82.13 0.69 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 24.16 0.39 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.467 1.772 . . . . 0.0 110.937 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.792 ' O ' HG21 ' A' ' 70' ' ' ILE . 12.4 mt -132.72 13.11 4.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.506 ' CG ' ' O ' ' A' ' 27' ' ' ASN . 5.6 p30 -90.79 99.78 12.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.107 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.753 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . . . -71.79 -23.93 61.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -69.95 -54.86 11.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -71.17 -35.12 71.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.958 ' HG ' ' HB2' ' A' ' 67' ' ' ALA . 0.6 OUTLIER -63.95 -52.57 59.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.1 m -58.2 -36.37 73.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.575 1.172 . . . . 0.0 110.357 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.36 -32.77 70.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.44 1.087 . . . . 0.0 110.3 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.651 ' CG ' ' HB1' ' A' ' 20' ' ' ALA . 6.6 t90 -57.63 -27.05 62.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 107.996 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.583 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -84.26 -57.42 2.36 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.533 1.146 . . . . 0.0 111.032 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -42.55 -44.23 5.21 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.685 HG23 ' HD1' ' A' ' 13' ' ' PHE . 9.5 p -67.35 -43.4 87.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.544 0.791 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.553 HD13 ' CG ' ' A' ' 59' ' ' GLU . 17.1 mt -55.8 -49.45 73.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.118 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.4 mt -54.89 -39.88 69.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -62.37 -58.04 9.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.282 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.638 ' CD2' HG23 ' A' ' 10' ' ' ILE . 25.9 mt -61.99 -25.07 67.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.98 -42.97 73.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 110.005 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.421 ' HG2' ' N ' ' A' ' 47' ' ' PHE . 3.0 pt20 -67.81 -36.66 80.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.299 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.58 ' CD2' HG12 ' A' ' 10' ' ' ILE . 22.8 m-85 -75.72 -28.66 58.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 111.043 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 29.9 m-70 -90.18 142.47 27.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.594 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 53' ' ' ALA . 83.0 p -49.52 160.16 0.29 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.978 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.892 ' CG1' HD22 ' A' ' 91' ' ' LEU . 1.0 OUTLIER -51.5 -51.92 22.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.454 ' N ' HG22 ' A' ' 50' ' ' ILE . 21.7 t -44.59 -56.5 4.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 110.013 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.09 -28.9 64.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.554 ' HB3' ' HA ' ' A' ' 50' ' ' ILE . . . -58.56 -54.42 47.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.417 ' CD ' HG23 ' A' ' 50' ' ' ILE . 0.4 OUTLIER -51.49 -57.92 7.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -53.96 -43.2 69.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.303 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.465 ' HB3' ' HE3' ' A' ' 56' ' ' MET . 2.4 mmm -63.8 -36.94 85.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.984 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.832 HG21 ' HB2' ' A' ' 88' ' ' PHE . 9.6 mt -72.83 -50.69 31.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.435 ' NE2' ' CE2' ' A' ' 88' ' ' PHE . 1.5 mt-30 -45.98 -54.96 7.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.314 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.553 ' CG ' HD13 ' A' ' 41' ' ' LEU . 3.9 pt-20 -63.6 -35.07 79.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.158 . . . . 0.0 110.337 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 57' ' ' ILE . . . -59.77 -32.51 70.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -73.43 -54.12 16.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 59' ' ' GLU . 20.4 p -49.97 -31.41 12.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.39 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.496 ' CA ' HD11 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -66.27 -54.25 27.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 109.345 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.583 ' CE1' ' HA3' ' A' ' 38' ' ' GLY . 21.3 m-85 -56.45 -39.81 73.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.536 1.148 . . . . 0.0 110.958 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -50.14 -56.01 12.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.6 ' HB3' HD21 ' A' ' 34' ' ' LEU . 2.5 tt0 -65.83 -37.78 87.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.279 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.958 ' HB2' ' HG ' ' A' ' 34' ' ' LEU . . . -60.95 -38.19 84.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.646 HD21 HG23 ' A' ' 78' ' ' VAL . 7.1 mt -65.51 -32.62 74.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.44 HD12 ' HA ' ' A' ' 66' ' ' GLU . 0.5 OUTLIER -65.37 -33.52 76.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.792 HG21 ' O ' ' A' ' 29' ' ' LEU . 4.6 mt -76.32 -38.69 33.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -147.31 105.56 3.81 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -18.12 18.98 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.477 1.778 . . . . 0.0 110.998 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.6 ptmt -82.88 1.75 37.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.52 76.69 0.57 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.273 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.09 -29.38 30.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.476 ' HG3' ' CE3' ' A' ' 79' ' ' TRP . 1.5 tp10 -67.14 -51.2 56.89 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 110.324 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -53.37 -32.23 48.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 1.004 HG11 ' HB2' ' A' ' 111' ' ' GLN . 40.7 t -74.52 -53.52 16.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.495 ' CZ3' ' SG ' ' A' ' 80' ' ' CYS . 0.4 OUTLIER -58.57 -47.56 83.85 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.573 ' HB3' ' CZ ' ' A' ' 64' ' ' PHE . 0.5 OUTLIER -50.77 -53.1 34.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 108.314 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.544 HG21 ' CZ ' ' A' ' 108' ' ' PHE . 56.8 mt -51.94 -37.45 21.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -71.31 -44.36 52.46 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.522 1.139 . . . . 0.0 110.994 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -64.56 -31.16 72.26 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.518 0.775 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.447 ' HB1' HG23 ' A' ' 57' ' ' ILE . . . -69.88 -55.5 9.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.532 ' CE2' ' CG2' ' A' ' 81' ' ' ILE . 8.7 m-85 -57.06 -44.72 83.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 26.7 m -54.97 -52.43 63.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 0.0 110.43 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.5 m -61.45 -51.52 68.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 109.975 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.832 ' HB2' HG21 ' A' ' 57' ' ' ILE . 43.2 t80 -53.33 -34.15 56.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.974 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.607 ' HB1' ' CD2' ' A' ' 102' ' ' PHE . . . -63.87 -49.32 73.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.331 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -55.76 -20.07 13.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 111.022 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.892 HD22 ' CG1' ' A' ' 50' ' ' ILE . 23.0 mt -94.29 -16.96 23.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.462 HG22 ' HB2' ' A' ' 98' ' ' ALA . 0.9 OUTLIER -97.22 118.08 64.97 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.444 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.515 ' HA ' ' CE2' ' A' ' 140' ' ' TYR . 18.3 Cg_endo -74.93 -22.6 14.79 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.485 1.781 . . . . 0.0 110.987 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.81 105.96 1.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -54.96 -46.75 75.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 110.301 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.4 m -52.77 -57.99 8.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.381 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -65.25 -50.36 66.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 110.321 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.462 ' HB2' HG22 ' A' ' 92' ' ' THR . . . -52.61 -54.2 36.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.331 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 29.8 tttt -60.43 -49.26 78.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.447 ' CD2' ' C ' ' A' ' 100' ' ' HIS . 1.4 t60 -51.99 -47.62 64.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.505 1.128 . . . . 0.0 109.617 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.85 -47.47 65.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.956 ' CD1' ' HB1' ' A' ' 132' ' ' ALA . 1.4 m-85 -55.53 -42.31 74.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.42 -19.48 60.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.559 HD22 ' CE2' ' A' ' 108' ' ' PHE . 0.1 OUTLIER -72.21 -48.39 43.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.344 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -56.91 -31.39 64.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.337 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.2 m -60.43 -56.11 25.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 110.372 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.519 ' HG2' HD23 ' A' ' 104' ' ' LEU . 2.0 pt20 -56.75 -23.14 40.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.755 ' HD1' HG13 ' A' ' 78' ' ' VAL . 6.0 m-85 -82.51 -48.56 10.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.776 ' O ' HG13 ' A' ' 113' ' ' VAL . 16.1 m-85 -54.98 -19.85 7.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.955 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -74.26 -26.76 60.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 110.275 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 1.004 ' HB2' HG11 ' A' ' 78' ' ' VAL . 37.8 mt-30 -81.52 -43.76 18.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.282 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.61 -47.71 84.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.318 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.801 HG12 ' HB3' ' A' ' 122' ' ' TYR . 5.6 m -67.88 -38.65 80.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.21 -48.43 12.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -63.99 -40.37 96.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.315 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -161.8 90.39 1.45 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.27 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.457 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.3 Cg_endo -74.97 -4.17 15.01 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.464 1.771 . . . . 0.0 111.022 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -86.76 -4.36 59.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -79.96 108.07 13.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.465 ' HA ' HD12 ' A' ' 123' ' ' LEU . 1.9 t -52.96 -27.32 18.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 110.399 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -61.11 -45.53 94.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.624 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.801 ' HB3' HG12 ' A' ' 113' ' ' VAL . 14.8 m-30 -79.12 -36.65 40.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.912 ' O ' HD22 ' A' ' 123' ' ' LEU . 0.0 OUTLIER -59.22 -44.59 92.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.898 ' N ' HD13 ' A' ' 123' ' ' LEU . 2.8 tptt -67.68 -47.42 69.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.434 ' HB3' ' CE1' ' A' ' 109' ' ' PHE . 0.5 OUTLIER -57.79 -49.37 76.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.999 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.659 HD13 ' HB3' ' A' ' 109' ' ' PHE . 28.5 tp -68.91 -38.13 79.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.443 ' CB ' ' O ' ' A' ' 123' ' ' LEU . 1.0 OUTLIER -66.67 -36.35 82.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 110.312 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 7.2 mmm -71.07 -41.98 70.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 111.008 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.564 ' O ' ' HB2' ' A' ' 132' ' ' ALA . 0.5 OUTLIER -59.32 -22.62 61.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 110.37 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -41.85 -59.85 1.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.586 ' O ' HD12 ' A' ' 135' ' ' LEU . 12.2 mttt -90.53 45.27 1.25 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.956 ' HB1' ' CD1' ' A' ' 102' ' ' PHE . . . -63.63 -44.47 80.79 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.336 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . 0.641 ' CD ' ' N ' ' A' ' 132' ' ' ALA . 18.4 Cg_endo -74.99 -29.93 7.71 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.485 1.782 . . . . 0.0 111.026 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . 0.465 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 46.1 mm-40 -80.66 -47.0 14.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 110.275 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.685 ' O ' ' HB2' ' A' ' 139' ' ' ALA . 6.9 mt -51.04 -42.84 60.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . 0.565 ' HB2' ' CE2' ' A' ' 102' ' ' PHE . 56.8 t-80 -66.21 -44.35 84.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.603 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.537 ' O ' ' CB ' ' A' ' 141' ' ' LYS . . . -61.96 -52.69 62.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.5 ' O ' ' CB ' ' A' ' 142' ' ' GLN . 0.0 OUTLIER -69.24 -26.73 64.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.293 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.685 ' HB2' ' O ' ' A' ' 135' ' ' LEU . . . -66.9 -49.66 64.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.243 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . 0.515 ' CE2' ' HA ' ' A' ' 93' ' ' PRO . 5.5 m-85 -83.34 -43.09 16.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.537 ' CB ' ' O ' ' A' ' 137' ' ' ALA . 0.0 OUTLIER -61.1 -48.08 83.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.33 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . 0.5 ' CB ' ' O ' ' A' ' 138' ' ' GLU . 0.6 OUTLIER -85.66 130.72 34.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.27 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 82.92 -140.72 20.36 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.48 1.112 . . . . 0.0 111.005 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.2 mt -76.64 127.11 32.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 0.771 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -140.73 -117.06 1.35 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.531 1.144 . . . . 0.0 111.003 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -123.15 178.34 16.39 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 11.3 p -121.94 -57.53 1.79 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 0.744 . . . . 0.0 110.015 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 43.5 t-80 -49.61 132.36 21.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.654 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -121.52 139.35 53.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.49 1.119 . . . . 0.0 109.63 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -146.99 145.58 29.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.164 . . . . 0.0 109.586 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -139.46 -62.65 0.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.619 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 2.2 m80 57.22 169.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.095 . . . . 0.0 109.599 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 18.0 m170 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.617 -179.991 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -56.86 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.508 1.794 . . . . 0.0 111.024 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 2.1 mt 57.28 163.59 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 132.44 -140.39 11.78 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.482 1.114 . . . . 0.0 110.963 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 76.9 p -79.0 -24.12 43.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 0.784 . . . . 0.0 110.01 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -73.6 137.77 44.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 56.14 83.45 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.446 1.091 . . . . 0.0 109.254 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.5 p -146.15 178.1 8.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.406 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 65.73 -157.27 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.33 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.596 ' O ' ' CG ' ' A' ' 6' ' ' GLU . 12.9 m 72.74 8.12 5.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 0.0 110.395 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.596 ' CG ' ' O ' ' A' ' 5' ' ' THR . 0.0 OUTLIER 88.87 -20.8 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.408 ' O ' ' N ' ' A' ' 10' ' ' ILE . 23.3 m-85 -67.23 -55.04 15.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.97 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.07 -40.01 21.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.457 ' CG ' ' CE2' ' A' ' 13' ' ' PHE . 10.1 ttm180 -66.34 -32.95 74.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 110.251 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.795 HG23 ' CD2' ' A' ' 44' ' ' LEU . 42.8 mt -68.19 -45.17 83.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.42 1.075 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.442 HD23 ' N ' ' A' ' 11' ' ' LEU . 6.6 mt -54.9 -38.94 68.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.68 HD12 HD12 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -64.06 -48.71 75.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.779 ' CD1' HG23 ' A' ' 40' ' ' VAL . 12.5 m-85 -63.77 -28.33 69.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -66.53 -59.54 3.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 110.304 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.486 ' HG3' ' N ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -51.84 -28.47 15.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.26 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.68 HD12 HD12 ' A' ' 12' ' ' LEU . 5.3 mt -71.9 -53.3 20.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.413 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -49.44 -58.93 4.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 110.329 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.424 ' HG3' ' O ' ' A' ' 15' ' ' GLN . 0.0 OUTLIER -53.77 -42.31 68.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 110.274 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 23' ' ' THR . 0.2 OUTLIER -63.11 -34.14 76.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.112 . . . . 0.0 109.319 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.596 ' HB1' ' CG ' ' A' ' 37' ' ' TRP . . . -66.34 -47.97 71.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.668 ' HG2' ' CZ2' ' A' ' 37' ' ' TRP . 2.8 mt-10 -58.91 -42.65 90.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.445 ' HA ' ' CE ' ' A' ' 25' ' ' LYS . 1.0 OUTLIER -75.44 -36.14 60.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.334 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.607 HG21 ' CG ' ' A' ' 33' ' ' ASN . 2.7 m -62.18 -25.56 67.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.451 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.464 ' O ' ' CD ' ' A' ' 28' ' ' PRO . 0.1 OUTLIER -54.5 -60.85 2.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 110.979 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.445 ' CE ' ' HA ' ' A' ' 22' ' ' ASN . 0.0 OUTLIER -63.48 -28.99 70.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.61 -38.22 73.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 110.009 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' A' ' 23' ' ' THR . 1.5 t30 -169.52 84.35 0.62 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.464 ' CD ' ' O ' ' A' ' 24' ' ' TYR . 18.4 Cg_endo -74.97 -0.72 10.3 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.494 1.787 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.797 ' O ' HG21 ' A' ' 70' ' ' ILE . 8.3 mt -91.92 -21.99 20.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.41 ' O ' ' HB2' ' A' ' 34' ' ' LEU . 0.9 OUTLIER -66.99 97.96 0.53 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.11 . . . . 0.0 109.324 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.822 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . . . -71.95 -21.93 61.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -65.6 -52.49 51.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.607 ' CG ' HG21 ' A' ' 23' ' ' THR . 0.5 OUTLIER -69.42 -34.61 74.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.266 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.684 HD22 ' O ' ' A' ' 63' ' ' LYS . 0.5 OUTLIER -66.69 -35.68 80.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 0.0 109.303 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.6 m -72.78 -39.03 67.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 110.396 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.2 ptt180 -70.46 -20.14 62.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.098 . . . . 0.0 110.324 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.668 ' CZ2' ' HG2' ' A' ' 21' ' ' GLU . 6.2 t90 -67.42 -27.08 66.76 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.612 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -86.26 -60.7 1.71 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -39.58 -41.75 1.78 Allowed Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.779 HG23 ' CD1' ' A' ' 13' ' ' PHE . 5.7 p -67.4 -50.71 59.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.51 0.771 . . . . 0.0 109.253 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.476 ' N ' HG13 ' A' ' 40' ' ' VAL . 45.0 mt -52.15 -42.29 63.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 24.0 mt -65.49 -35.15 80.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -65.68 -57.48 7.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.795 ' CD2' HG23 ' A' ' 10' ' ' ILE . 21.5 mt -52.66 -29.71 27.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.32 -16.94 6.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 109.974 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -68.23 -7.04 27.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 110.263 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.642 ' O ' ' CG ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -157.83 21.09 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 110.985 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.587 ' O ' ' O ' ' A' ' 49' ' ' SER . 0.4 OUTLIER -108.69 46.24 0.98 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.59 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.777 ' O ' ' HB2' ' A' ' 53' ' ' ALA . 66.9 m 41.12 -173.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.994 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.838 HG13 HD22 ' A' ' 91' ' ' LEU . 0.2 OUTLIER -83.06 -52.82 12.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.472 ' N ' HG22 ' A' ' 50' ' ' ILE . 91.7 p -51.28 -57.23 9.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.97 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.452 ' O ' ' CG ' ' A' ' 56' ' ' MET . 0.2 OUTLIER -62.16 -32.08 72.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.777 ' HB2' ' O ' ' A' ' 49' ' ' SER . . . -66.53 -46.16 77.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.462 ' CD ' HG23 ' A' ' 50' ' ' ILE . 38.9 mtpt -62.49 -59.15 5.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.512 ' HG3' ' N ' ' A' ' 56' ' ' MET . 0.0 OUTLIER -53.56 -36.18 61.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.276 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.544 ' SD ' ' CG ' ' A' ' 48' ' ' HIS . 64.6 mtp -71.08 -37.05 72.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.792 HG21 ' HB2' ' A' ' 88' ' ' PHE . 8.8 mt -71.42 -51.83 30.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.548 ' O ' HG23 ' A' ' 62' ' ' THR . 3.4 mt-30 -45.19 -54.41 6.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.449 ' OE2' ' CD1' ' A' ' 41' ' ' LEU . 4.8 pt-20 -66.48 -36.39 82.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.425 ' N ' ' HG2' ' A' ' 59' ' ' GLU . . . -58.67 -27.96 65.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.668 HD13 ' CE1' ' A' ' 85' ' ' TYR . 1.4 mt -80.1 -52.3 14.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.296 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.548 HG23 ' O ' ' A' ' 58' ' ' GLN . 68.0 p -50.11 -31.65 13.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.097 . . . . 0.0 110.401 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.684 ' O ' HD22 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -72.29 -45.37 60.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.612 ' CE1' ' HA3' ' A' ' 38' ' ' GLY . 19.4 m-30 -56.4 -42.84 78.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.54 1.15 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -52.93 -54.68 31.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.283 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.534 ' HA ' HD12 ' A' ' 69' ' ' LEU . 0.4 OUTLIER -56.47 -37.05 69.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 110.326 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.577 ' HA ' HD12 ' A' ' 70' ' ' ILE . . . -64.79 -44.77 88.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.756 HD21 HG23 ' A' ' 78' ' ' VAL . 16.2 mt -59.33 -33.07 70.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.534 HD12 ' HA ' ' A' ' 66' ' ' GLU . 0.8 OUTLIER -63.54 -40.07 96.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.344 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.822 ' HB ' ' HB2' ' A' ' 31' ' ' ALA . 5.8 mt -66.72 -44.45 89.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -152.82 114.01 2.76 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -4.5 15.49 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.443 1.759 . . . . 0.0 111.004 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 75' ' ' ASP . 20.1 mmtt -82.9 -6.37 59.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -66.11 75.33 0.09 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.3 OUTLIER -55.76 -29.01 58.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 179.922 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.416 ' HG3' ' CE3' ' A' ' 79' ' ' TRP . 34.2 tt0 -68.0 -51.5 46.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.314 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.22 -32.27 35.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.974 HG11 ' HB2' ' A' ' 111' ' ' GLN . 36.7 t -74.59 -52.89 18.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.479 ' CZ3' ' SG ' ' A' ' 80' ' ' CYS . 0.4 OUTLIER -59.11 -50.13 75.23 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.574 ' HB3' ' CZ ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -50.66 -51.2 51.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 108.313 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.569 HG21 ' CZ ' ' A' ' 108' ' ' PHE . 35.7 mt -51.88 -33.75 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -75.94 -46.51 13.49 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.464 1.102 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -62.52 -29.33 70.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 0.772 . . . . 0.0 109.313 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.705 ' HB1' HG23 ' A' ' 57' ' ' ILE . . . -69.92 -55.43 9.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.668 ' CE1' HD13 ' A' ' 61' ' ' ILE . 12.0 m-85 -57.84 -44.28 86.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 74.7 m -54.87 -48.52 72.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.432 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.5 m -66.1 -51.62 56.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 110.006 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.792 ' HB2' HG21 ' A' ' 57' ' ' ILE . 41.6 t80 -54.91 -38.55 67.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 111.008 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.66 ' HB1' ' CD2' ' A' ' 102' ' ' PHE . . . -56.12 -52.6 63.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -54.01 -23.86 14.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.979 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.838 HD22 HG13 ' A' ' 50' ' ' ILE . 22.0 mt -88.5 -20.26 25.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.434 HG22 ' HB2' ' A' ' 98' ' ' ALA . 0.9 OUTLIER -97.18 118.79 64.29 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 110.383 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.558 ' HA ' ' CE2' ' A' ' 140' ' ' TYR . 18.2 Cg_endo -75.08 -26.09 11.13 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.497 1.788 . . . . 0.0 110.968 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -58.83 87.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 93' ' ' PRO . 91.5 mt-10 -40.6 -46.93 2.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.495 HG23 ' N ' ' A' ' 97' ' ' GLU . 13.4 t -52.64 -53.17 50.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.384 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.495 ' N ' HG23 ' A' ' 96' ' ' THR . 4.8 mm-40 -70.65 -49.91 42.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.295 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.434 ' HB2' HG22 ' A' ' 92' ' ' THR . . . -52.93 -54.48 34.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.33 -51.89 67.58 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -49.21 -49.18 44.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.632 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.426 ' OD1' ' CD1' ' A' ' 85' ' ' TYR . 0.5 OUTLIER -67.03 -46.89 73.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.669 ' HD1' ' HB1' ' A' ' 132' ' ' ALA . 0.9 OUTLIER -55.24 -42.75 73.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.03 -22.01 59.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.595 HD22 ' CE2' ' A' ' 108' ' ' PHE . 0.1 OUTLIER -71.99 -45.13 62.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.143 . . . . 0.0 109.311 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -53.23 -33.95 55.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.499 ' OG1' HG23 ' A' ' 129' ' ' THR . 19.8 m -61.24 -55.63 29.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 110.413 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -50.84 -27.33 7.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 110.254 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.743 ' HD1' HG13 ' A' ' 78' ' ' VAL . 16.4 m-85 -83.27 -48.39 10.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 110.955 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.679 ' O ' HG13 ' A' ' 113' ' ' VAL . 14.6 m-85 -55.2 -22.34 17.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.448 1.093 . . . . 0.0 111.013 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -74.32 -25.79 59.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.28 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.974 ' HB2' HG11 ' A' ' 78' ' ' VAL . 36.0 mt-30 -81.74 -41.52 21.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.331 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -57.69 -48.72 78.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.138 . . . . 0.0 109.3 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.679 HG13 ' O ' ' A' ' 109' ' ' PHE . 4.2 m -66.77 -39.57 83.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.15 -45.91 11.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -69.67 -38.37 77.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.347 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -159.58 89.16 1.97 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 110.297 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.457 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.2 Cg_endo -75.0 -3.52 14.05 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.513 1.796 . . . . 0.0 111.009 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -87.3 -12.07 47.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -65.16 111.08 2.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 72.0 p -57.46 -23.81 51.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.399 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.465 ' CD2' ' H ' ' A' ' 121' ' ' HIS . 3.9 m-70 -70.28 -58.61 3.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.564 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.64 ' HB3' HG12 ' A' ' 113' ' ' VAL . 12.4 m-30 -57.91 -34.62 70.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.875 ' O ' HD22 ' A' ' 123' ' ' LEU . 0.0 OUTLIER -59.31 -50.33 74.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.431 1.082 . . . . 0.0 109.299 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.805 ' N ' HD13 ' A' ' 123' ' ' LEU . 13.4 tptt -62.63 -43.14 99.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.99 -48.51 75.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.064 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 32.6 tp -70.79 -44.88 65.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.66 -47.09 70.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 110.331 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 2.2 mmm -67.62 -39.3 84.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 110.972 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.499 HG23 ' OG1' ' A' ' 106' ' ' THR . 0.3 OUTLIER -60.47 -19.63 57.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.403 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -47.08 -49.85 20.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.417 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 2.8 mtmt -101.89 42.93 1.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.731 ' HB3' ' HD3' ' A' ' 133' ' ' PRO . . . -59.64 -50.31 87.59 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . 0.731 ' HD3' ' HB3' ' A' ' 132' ' ' ALA . 18.3 Cg_endo -74.99 -24.15 13.12 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.504 1.792 . . . . 0.0 111.027 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 42.3 tp60 -80.18 -47.24 14.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 110.314 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.738 ' O ' ' HB2' ' A' ' 139' ' ' ALA . 16.8 mt -54.38 -37.93 65.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . 0.595 ' HB2' ' CE2' ' A' ' 102' ' ' PHE . 56.4 t-80 -67.12 -43.63 81.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.582 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.549 ' O ' ' CB ' ' A' ' 141' ' ' LYS . . . -62.06 -53.32 57.14 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.486 ' CG ' ' HA ' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -69.05 -30.55 68.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.738 ' HB2' ' O ' ' A' ' 135' ' ' LEU . . . -58.44 -50.34 74.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . 0.558 ' CE2' ' HA ' ' A' ' 93' ' ' PRO . 6.9 m-85 -86.43 -40.93 14.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.964 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.549 ' CB ' ' O ' ' A' ' 137' ' ' ALA . 0.0 OUTLIER -58.07 -48.01 81.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.6 108.71 18.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 110.277 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 119.77 62.92 0.27 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.502 1.127 . . . . 0.0 111.023 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -174.2 -64.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 0.789 . . . . 0.0 109.293 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -165.33 92.07 0.11 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.545 1.153 . . . . 0.0 111.034 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -101.88 -162.31 26.79 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 2.3 t 53.6 99.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 0.74 . . . . 0.0 109.987 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 42.5 t60 -149.72 -61.95 0.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.609 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -162.51 123.07 2.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.567 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -161.13 105.37 1.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.567 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 57.2 m80 -152.65 -62.53 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 109.553 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 4.2 m80 -65.26 162.55 17.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.629 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 1.3 m80 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.618 -179.993 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -44.86 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.517 1.798 . . . . 0.0 111.027 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 1.1 tt 64.47 90.05 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 169.27 122.75 0.64 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.485 1.116 . . . . 0.0 110.964 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.82 -33.53 34.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 0.738 . . . . 0.0 109.973 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 57.62 172.58 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 111.004 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 63.59 91.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 68.5 p -132.98 -43.78 0.87 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.394 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.565 ' O ' ' CB ' ' A' ' 5' ' ' THR . 0.6 OUTLIER 53.96 172.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 110.295 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.754 HG22 ' CD2' ' A' ' 7' ' ' PHE . 2.2 m 86.94 -34.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 110.373 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.517 ' CB ' ' O ' ' A' ' 5' ' ' THR . 0.4 OUTLIER 88.25 -39.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.279 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.754 ' CD2' HG22 ' A' ' 5' ' ' THR . 17.8 m-85 -53.06 -55.25 25.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -48.52 -36.94 16.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.4 ttm-85 -74.93 -31.74 61.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.34 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.457 HG23 HD22 ' A' ' 44' ' ' LEU . 42.5 mt -65.39 -41.33 90.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.4 mt -57.61 -44.77 85.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.716 ' CD1' HD11 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -57.97 -46.43 85.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.8 ' HD1' HG23 ' A' ' 40' ' ' VAL . 6.4 m-85 -64.0 -37.07 86.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 110.985 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -60.43 -57.26 13.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 1.085 . . . . 0.0 110.268 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.517 ' HG3' ' N ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -53.62 -27.81 29.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.289 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.716 HD11 ' CD1' ' A' ' 12' ' ' LEU . 52.1 mt -71.4 -53.5 20.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.487 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 13.3 ttp180 -52.44 -51.71 57.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.321 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.43 ' NE2' ' OD1' ' A' ' 22' ' ' ASN . 2.6 tp60 -55.06 -54.77 38.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 110.326 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 23' ' ' THR . 0.1 OUTLIER -57.93 -37.18 73.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.73 ' HB1' ' CG ' ' A' ' 37' ' ' TRP . . . -56.5 -43.21 79.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.619 ' HG2' ' CZ2' ' A' ' 37' ' ' TRP . 3.0 mt-10 -66.51 -38.24 86.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.425 1.078 . . . . 0.0 110.292 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.43 ' OD1' ' NE2' ' A' ' 18' ' ' GLN . 1.1 m120 -73.72 -33.54 64.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.455 HG21 ' CG ' ' A' ' 33' ' ' ASN . 2.2 m -63.29 -22.74 67.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.396 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.404 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -64.74 -61.67 2.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 111.007 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.6 -23.99 67.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.74 -40.36 29.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.138 . . . . 0.0 110.007 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 23' ' ' THR . 2.2 m-20 -168.11 89.41 0.67 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 0.35 9.0 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.499 1.789 . . . . 0.0 111.01 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.895 ' O ' HG21 ' A' ' 70' ' ' ILE . 18.8 mt -90.42 -21.45 21.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.41 ' O ' ' HB2' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -64.54 98.34 0.25 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.429 1.081 . . . . 0.0 109.302 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.798 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . . . -74.66 -45.06 47.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.339 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -48.98 -50.46 35.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.568 1.168 . . . . 0.0 109.293 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.455 ' CG ' HG21 ' A' ' 23' ' ' THR . 0.7 OUTLIER -66.28 -46.17 77.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.91 HD22 ' O ' ' A' ' 63' ' ' LYS . 0.2 OUTLIER -52.8 -50.32 63.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.448 ' CG2' ' HG2' ' A' ' 76' ' ' GLU . 72.4 m -57.68 -35.82 71.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 110.38 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.53 ' HD3' HG21 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -70.31 -26.31 63.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.279 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.73 ' CG ' ' HB1' ' A' ' 20' ' ' ALA . 5.9 t90 -65.44 -28.16 69.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 108.035 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.626 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -83.28 -60.1 2.06 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -42.02 -44.46 4.7 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.8 HG23 ' HD1' ' A' ' 13' ' ' PHE . 5.1 p -67.43 -38.97 81.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 38' ' ' GLY . 14.8 mt -60.96 -42.64 98.66 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.259 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 17.7 mt -65.59 -36.95 85.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -65.79 -58.34 5.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 110.253 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.689 HD21 ' HB2' ' A' ' 13' ' ' PHE . 71.8 mt -60.61 -30.23 69.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -53.66 -37.81 63.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.004 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.456 ' HG2' ' N ' ' A' ' 47' ' ' PHE . 0.4 OUTLIER -68.05 -37.48 81.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.456 ' N ' ' HG2' ' A' ' 46' ' ' GLN . 0.0 OUTLIER -78.28 -22.64 47.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 111.027 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.452 ' O ' ' HB3' ' A' ' 49' ' ' SER . 0.4 OUTLIER -78.88 -93.5 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.502 1.126 . . . . 0.0 109.601 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.503 ' O ' ' N ' ' A' ' 53' ' ' ALA . 35.1 p 177.66 153.39 0.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.959 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.742 ' CG1' HD22 ' A' ' 91' ' ' LEU . 0.1 OUTLIER -48.27 -46.84 13.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 109.347 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 47.9 t -47.12 -57.64 4.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 109.982 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.416 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 24.1 m-20 -75.02 -45.07 44.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.552 ' HB3' ' HA ' ' A' ' 50' ' ' ILE . . . -45.25 -36.11 3.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.488 ' CD ' HG23 ' A' ' 50' ' ' ILE . 0.1 OUTLIER -65.47 -58.37 5.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.416 ' HG2' ' O ' ' A' ' 52' ' ' ASP . 6.6 pt20 -62.46 -36.09 81.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.312 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 82.8 mtp -67.6 -32.36 73.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.964 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.904 HG21 ' HB2' ' A' ' 88' ' ' PHE . 22.1 mt -71.84 -46.12 62.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.405 ' O ' HG23 ' A' ' 62' ' ' THR . 6.9 mt-30 -51.24 -51.23 55.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.302 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.431 ' HG2' ' N ' ' A' ' 60' ' ' ALA . 2.4 pt-20 -66.69 -35.22 79.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 110.323 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.431 ' N ' ' HG2' ' A' ' 59' ' ' GLU . . . -59.72 -32.45 70.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.442 HG22 ' N ' ' A' ' 62' ' ' THR . 0.4 OUTLIER -69.87 -57.28 8.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.234 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.442 ' N ' HG22 ' A' ' 61' ' ' ILE . 72.0 p -49.19 -35.57 17.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.396 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.91 ' O ' HD22 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -62.4 -42.55 99.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.626 ' CE1' ' HA3' ' A' ' 38' ' ' GLY . 21.3 m-85 -67.04 -40.43 87.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.974 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -50.71 -55.46 16.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.314 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.57 ' HA ' HD12 ' A' ' 69' ' ' LEU . 4.9 tt0 -57.55 -35.27 70.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.327 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.419 ' HA ' HD12 ' A' ' 70' ' ' ILE . . . -66.2 -46.5 77.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.76 HD21 HG23 ' A' ' 78' ' ' VAL . 10.1 mt -57.34 -28.98 63.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.57 HD12 ' HA ' ' A' ' 66' ' ' GLU . 0.9 OUTLIER -68.61 -45.14 72.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.254 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.895 HG21 ' O ' ' A' ' 29' ' ' LEU . 5.0 mt -65.63 -43.05 94.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 109.25 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -144.11 110.06 5.07 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -19.36 17.92 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.494 1.786 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -82.78 3.35 29.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -67.92 77.41 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 109.292 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.1 -30.54 26.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.448 ' HG2' ' CG2' ' A' ' 35' ' ' THR . 72.9 tt0 -67.18 -52.76 37.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 110.364 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.16 -32.79 37.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.999 HG11 ' HB2' ' A' ' 111' ' ' GLN . 14.7 t -74.6 -53.59 16.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.472 ' CD1' ' OD1' ' A' ' 83' ' ' ASN . 0.3 OUTLIER -58.2 -46.74 85.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 108.03 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 64' ' ' PHE . 0.5 OUTLIER -50.6 -54.17 24.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 108.282 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.599 ' CG2' ' CE2' ' A' ' 85' ' ' TYR . 68.9 mt -51.91 -39.49 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -68.78 -41.11 84.32 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.52 1.137 . . . . 0.0 111.043 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.472 ' OD1' ' CD1' ' A' ' 79' ' ' TRP . 3.1 m120 -64.46 -37.99 89.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 0.765 . . . . 0.0 109.347 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.627 ' HB1' HG23 ' A' ' 57' ' ' ILE . . . -63.81 -55.29 24.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.599 ' CE2' ' CG2' ' A' ' 81' ' ' ILE . 13.0 m-85 -58.45 -47.03 85.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.957 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.502 HG23 ' CE1' ' A' ' 102' ' ' PHE . 42.5 m -57.99 -46.76 84.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 110.395 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.411 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 2.0 m -66.92 -52.09 47.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.0 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.904 ' HB2' HG21 ' A' ' 57' ' ' ILE . 40.7 t80 -52.27 -35.18 49.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 111.03 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.554 ' HB1' ' HB1' ' A' ' 98' ' ' ALA . . . -58.51 -49.38 77.57 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -58.01 -21.51 45.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 0.0 111.013 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.742 HD22 ' CG1' ' A' ' 50' ' ' ILE . 1.4 mt -95.82 -4.14 44.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.441 HG21 ' HB2' ' A' ' 97' ' ' GLU . 1.2 m -98.32 106.38 35.29 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.382 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.552 ' HA ' ' CE2' ' A' ' 140' ' ' TYR . 18.5 Cg_endo -74.99 -13.15 21.51 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.437 1.756 . . . . 0.0 111.049 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.633 ' O ' ' CB ' ' A' ' 95' ' ' GLU . 0.2 OUTLIER -58.29 -50.08 74.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.095 . . . . 0.0 109.309 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.633 ' CB ' ' O ' ' A' ' 94' ' ' ASP . 3.3 mm-40 97.68 -56.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 110.274 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -57.7 -40.22 79.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 110.414 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.441 ' HB2' HG21 ' A' ' 92' ' ' THR . 7.6 mt-10 -75.89 -35.62 59.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.289 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.554 ' HB1' ' HB1' ' A' ' 89' ' ' ALA . . . -68.39 -52.88 28.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 10.3 tttt -56.0 -51.65 67.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.522 ' CD2' ' C ' ' A' ' 100' ' ' HIS . 0.2 OUTLIER -52.79 -44.07 66.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.555 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -62.12 -52.65 63.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.83 ' HB3' ' HB1' ' A' ' 132' ' ' ALA . 7.8 m-85 -50.99 -44.77 60.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.74 -19.33 62.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.484 HD23 ' HG2' ' A' ' 107' ' ' GLN . 0.1 OUTLIER -78.7 -47.52 16.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.847 ' HB1' ' CZ ' ' A' ' 109' ' ' PHE . . . -58.37 -24.46 59.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 3.1 m -61.15 -55.79 28.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.401 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.484 ' HG2' HD23 ' A' ' 104' ' ' LEU . 1.0 OUTLIER -57.12 -23.31 46.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.279 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.763 ' HD1' HG13 ' A' ' 78' ' ' VAL . 13.5 m-85 -82.6 -47.29 12.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.847 ' CZ ' ' HB1' ' A' ' 105' ' ' ALA . 20.0 m-30 -53.33 -32.06 47.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 111.042 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.418 ' HA ' ' NE2' ' A' ' 110' ' ' GLN . 1.4 tp60 -59.94 -30.2 68.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.248 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.999 ' HB2' HG11 ' A' ' 78' ' ' VAL . 56.5 mt-30 -81.55 -42.71 19.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.325 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.542 ' O ' ' CD2' ' A' ' 122' ' ' TYR . . . -61.98 -49.18 77.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.262 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.723 HG12 ' HB3' ' A' ' 122' ' ' TYR . 10.1 m -67.37 -33.55 63.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -44.99 -45.04 10.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.417 ' C ' ' HG2' ' A' ' 116' ' ' GLN . 61.3 mm-40 -75.08 -44.97 44.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.294 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.417 ' HG2' ' C ' ' A' ' 115' ' ' GLU . 1.4 mm-40 -139.16 83.26 18.08 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.258 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.475 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.4 Cg_endo -74.96 -14.56 21.19 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.507 1.793 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -92.59 -12.14 32.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -61.33 120.91 11.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 38.1 p -56.97 -30.44 64.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.376 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.445 ' CD2' ' H ' ' A' ' 121' ' ' HIS . 4.7 m-70 -70.27 -59.68 2.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.576 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.723 ' HB3' HG12 ' A' ' 113' ' ' VAL . 10.6 m-30 -60.41 -23.33 64.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 111.03 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 1.002 ' O ' HD22 ' A' ' 123' ' ' LEU . 0.0 OUTLIER -73.32 -45.8 53.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.1 . . . . 0.0 109.265 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.651 ' N ' HD13 ' A' ' 123' ' ' LEU . 12.1 tptt -58.5 -44.54 89.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.55 -43.34 89.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.008 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 45.0 tp -71.18 -40.36 71.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.274 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.99 -34.47 76.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.279 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . 0.424 ' N ' ' O ' ' A' ' 124' ' ' LYS . 0.6 OUTLIER -54.66 -32.41 59.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.763 ' HA ' ' HB2' ' A' ' 132' ' ' ALA . 20.8 p -63.49 -34.04 76.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.359 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 129' ' ' THR . . . -39.75 -46.5 1.91 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.168 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -123.63 46.22 2.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.83 ' HB1' ' HB3' ' A' ' 102' ' ' PHE . . . -64.82 -50.41 63.72 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . 0.736 ' HD3' ' HB3' ' A' ' 132' ' ' ALA . 18.3 Cg_endo -74.97 -25.58 11.78 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.475 1.776 . . . . 0.0 110.987 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . 0.451 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 8.1 mm-40 -80.52 -51.01 9.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 110.276 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.742 ' O ' ' HB2' ' A' ' 139' ' ' ALA . 37.5 mt -48.43 -42.3 31.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . 0.57 ' CE1' ' HA ' ' A' ' 95' ' ' GLU . 58.9 t-80 -67.07 -45.06 78.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.637 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.523 ' O ' ' CB ' ' A' ' 141' ' ' LYS . . . -61.79 -53.13 60.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.467 ' CG ' ' HA ' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -68.45 -27.77 66.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.243 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.742 ' HB2' ' O ' ' A' ' 135' ' ' LEU . . . -59.02 -53.15 61.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . 0.552 ' CE2' ' HA ' ' A' ' 93' ' ' PRO . 10.5 m-85 -85.37 -41.39 15.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.977 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.523 ' CB ' ' O ' ' A' ' 137' ' ' ALA . 2.6 tmmm? -57.95 -48.07 81.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . 0.428 ' CB ' ' O ' ' A' ' 138' ' ' GLU . 2.2 tp60 -83.44 124.8 31.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.422 1.076 . . . . 0.0 110.331 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 159.46 -137.36 5.08 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.49 1.118 . . . . 0.0 110.962 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 65.73 171.77 0.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 0.737 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -70.87 131.0 20.62 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.546 1.154 . . . . 0.0 111.055 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 98.55 -81.47 0.6 Allowed Glycine 0 CA--C 1.53 1.025 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.59 137.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 0.784 . . . . 0.0 109.994 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -53.47 145.82 13.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.585 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -78.99 113.86 17.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.605 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.34 171.59 1.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.609 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -68.64 155.25 40.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.637 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 47.5 p-80 -88.87 157.32 18.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.589 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 8.2 t-160 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.62 -179.997 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -53.31 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.534 1.807 . . . . 0.0 111.019 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 3.0 mp 70.07 -68.25 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 81.35 54.83 3.4 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.84 -31.36 31.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 0.755 . . . . 0.0 110.001 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.75 137.95 57.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -167.66 -66.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.489 HG23 ' H ' ' A' ' 5' ' ' THR . 4.8 t -102.56 -33.63 9.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.419 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 50.73 23.94 1.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.315 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.521 ' O ' ' CB ' ' A' ' 6' ' ' GLU . 60.9 m -87.81 16.1 6.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 110.363 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.521 ' CB ' ' O ' ' A' ' 5' ' ' THR . 1.3 pt-20 88.15 -36.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.278 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.442 ' N ' ' HG2' ' A' ' 6' ' ' GLU . 21.2 m-85 -58.24 -49.52 76.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.53 -37.89 63.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.454 ' CG ' ' CE2' ' A' ' 13' ' ' PHE . 8.6 ttm180 -67.4 -34.92 78.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.344 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.914 HG23 HD21 ' A' ' 44' ' ' LEU . 1.7 mt -66.49 -42.18 89.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.514 HD23 ' N ' ' A' ' 11' ' ' LEU . 5.0 mt -53.72 -38.83 64.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.578 ' CD1' HD11 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -68.67 -46.04 70.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.592 ' HD1' HG23 ' A' ' 40' ' ' VAL . 7.7 m-85 -63.87 -29.57 70.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -64.02 -53.96 41.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.508 ' HG3' ' N ' ' A' ' 16' ' ' ILE . 0.9 OUTLIER -56.78 -31.28 64.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.578 HD11 ' CD1' ' A' ' 12' ' ' LEU . 41.5 mt -71.66 -45.38 67.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -52.79 -53.87 42.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.268 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.496 ' HG3' ' N ' ' A' ' 19' ' ' ASP . 7.8 pt20 -63.27 -36.94 85.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.326 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.496 ' N ' ' HG3' ' A' ' 18' ' ' GLN . 0.5 OUTLIER -68.46 -41.44 80.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.975 ' HB1' ' HB2' ' A' ' 37' ' ' TRP . . . -73.68 -57.53 3.92 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.127 . . . . 0.0 109.279 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.56 ' HG3' ' CZ2' ' A' ' 37' ' ' TRP . 2.8 tt0 -50.87 -51.63 49.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 110.321 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.428 ' CB ' ' O ' ' A' ' 18' ' ' GLN . 28.6 t30 -61.9 -46.04 91.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.761 HG22 ' OD2' ' A' ' 30' ' ' ASP . 1.8 m -55.01 -28.11 49.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 110.341 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.456 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 10.9 t80 -49.77 -60.72 2.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.411 ' HD3' ' HA ' ' A' ' 22' ' ' ASN . 0.0 OUTLIER -62.32 -26.91 68.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.336 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.44 -31.56 68.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.994 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.469 ' O ' ' CG ' ' A' ' 30' ' ' ASP . 2.7 m-80 -169.66 94.47 0.51 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 109.336 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 1.72 7.45 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.531 1.806 . . . . 0.0 110.969 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.81 ' O ' HG21 ' A' ' 70' ' ' ILE . 11.7 mt -101.88 6.68 41.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.761 ' OD2' HG22 ' A' ' 23' ' ' THR . 50.2 p-10 -87.28 98.01 11.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.826 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . . . -73.23 -31.15 63.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.329 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.43 -55.35 16.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.103 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.562 ' CG ' HG21 ' A' ' 23' ' ' THR . 1.1 m120 -68.48 -34.15 75.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 1.023 ' HG ' ' HB2' ' A' ' 67' ' ' ALA . 7.4 tp -67.08 -42.93 83.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.578 HG22 ' OE2' ' A' ' 76' ' ' GLU . 41.1 m -68.84 -42.45 77.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 110.43 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.442 ' CZ ' ' CB ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -68.28 -25.11 65.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.975 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . 12.6 t90 -67.19 -27.14 67.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.132 . . . . 0.0 107.993 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.592 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -85.53 -54.51 2.79 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.559 1.162 . . . . 0.0 110.983 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -43.58 -41.62 5.55 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.592 HG23 ' HD1' ' A' ' 13' ' ' PHE . 0.7 OUTLIER -67.38 -48.72 76.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.528 0.781 . . . . 0.0 109.229 -179.936 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.484 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 21.4 mt -48.44 -45.2 36.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.638 HD13 HD22 ' A' ' 83' ' ' ASN . 14.1 mt -65.52 -37.1 85.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.559 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 12.4 mm-40 -63.42 -57.52 10.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.914 HD21 HG23 ' A' ' 10' ' ' ILE . 11.3 mt -55.15 -34.56 63.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.7 m -59.6 -12.71 7.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.033 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -68.08 -14.13 62.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.66 ' CE2' HD13 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -158.2 22.15 0.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.97 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.58 ' CD2' ' HB3' ' A' ' 44' ' ' LEU . 0.2 OUTLIER -96.64 5.22 51.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.65 179.93 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.483 ' CB ' ' O ' ' A' ' 48' ' ' HIS . 0.7 OUTLIER 84.02 128.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.001 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.869 ' CG1' HD22 ' A' ' 91' ' ' LEU . 0.5 OUTLIER -47.3 -48.04 9.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.404 ' N ' HG22 ' A' ' 50' ' ' ILE . 47.9 t -44.8 -56.09 4.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.977 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -71.87 -45.13 62.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.649 ' O ' HD12 ' A' ' 57' ' ' ILE . . . -44.8 -35.03 2.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.334 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.7 mtpt -64.59 -58.06 7.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.365 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -63.37 -35.32 80.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.243 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 89.2 mtp -67.51 -34.27 76.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 111.019 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.916 HG21 ' HB2' ' A' ' 88' ' ' PHE . 19.2 mt -72.82 -47.53 49.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -47.26 -54.45 10.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.335 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.46 ' CG ' HD13 ' A' ' 41' ' ' LEU . 5.5 pt-20 -65.18 -35.34 80.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 110.263 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.485 ' O ' ' CD2' ' A' ' 64' ' ' PHE . . . -59.7 -28.97 67.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.413 HG22 ' N ' ' A' ' 62' ' ' THR . 0.4 OUTLIER -78.09 -57.36 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.413 ' N ' HG22 ' A' ' 61' ' ' ILE . 72.3 p -49.68 -28.38 5.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 110.416 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.489 ' NZ ' ' CH2' ' A' ' 37' ' ' TRP . 0.1 OUTLIER -69.35 -48.65 60.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 0.0 109.262 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.592 ' CE1' ' HA3' ' A' ' 38' ' ' GLY . 20.9 m-85 -60.92 -37.88 83.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.959 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.07 -56.06 12.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 110.317 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.477 ' HB3' HD21 ' A' ' 34' ' ' LEU . 1.4 tp10 -66.27 -35.13 79.61 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.473 1.108 . . . . 0.0 110.322 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 1.023 ' HB2' ' HG ' ' A' ' 34' ' ' LEU . . . -63.01 -38.54 91.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.684 HD21 HG23 ' A' ' 78' ' ' VAL . 6.0 mt -65.26 -29.61 70.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.44 HD12 ' HA ' ' A' ' 66' ' ' GLU . 0.5 OUTLIER -67.88 -33.46 74.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.826 ' HB ' ' HB2' ' A' ' 31' ' ' ALA . 5.6 mt -75.78 -39.57 38.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.466 ' OD2' ' N ' ' A' ' 74' ' ' LYS . 31.2 t70 -145.21 107.36 4.5 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -26.16 11.17 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.492 1.785 . . . . 0.0 110.979 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.84 7.17 13.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.466 ' N ' ' OD2' ' A' ' 71' ' ' ASP . 4.5 tppt? -73.1 78.42 1.23 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.33 -24.92 8.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.578 ' OE2' HG22 ' A' ' 35' ' ' THR . 4.0 tt0 -69.85 -53.98 15.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.314 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.46 -33.05 42.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.972 HG11 ' HB2' ' A' ' 111' ' ' GLN . 24.7 t -74.73 -53.31 16.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.432 ' CE3' ' HG2' ' A' ' 76' ' ' GLU . 0.4 OUTLIER -57.99 -47.33 83.31 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.589 ' HB3' ' CZ ' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -50.1 -53.97 23.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 108.298 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.754 HG21 ' CZ ' ' A' ' 108' ' ' PHE . 66.3 mt -51.95 -40.22 27.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -71.22 -43.38 55.73 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.462 1.101 . . . . 0.0 110.986 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.638 HD22 HD13 ' A' ' 42' ' ' LEU . 1.3 t30 -64.55 -33.16 75.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 0.77 . . . . 0.0 109.299 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.553 ' HB1' HG23 ' A' ' 57' ' ' ILE . . . -69.86 -54.76 12.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.588 ' CE2' HD13 ' A' ' 104' ' ' LEU . 4.8 m-85 -56.19 -47.39 78.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.523 HG23 ' CE1' ' A' ' 102' ' ' PHE . 40.9 m -54.66 -46.14 73.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.428 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 47.7 t -66.95 -51.3 56.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.994 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.916 ' HB2' HG21 ' A' ' 57' ' ' ILE . 35.9 t80 -53.89 -31.69 50.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.28 -45.91 89.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.478 ' O ' ' CE1' ' A' ' 140' ' ' TYR . 32.8 m-85 -60.49 -21.41 62.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.997 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.869 HD22 ' CG1' ' A' ' 50' ' ' ILE . 0.8 OUTLIER -95.55 -4.74 44.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.25 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -97.5 109.06 48.67 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.393 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.557 ' HA ' ' CE2' ' A' ' 140' ' ' TYR . 18.4 Cg_endo -75.05 48.23 1.96 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.476 1.777 . . . . 0.0 110.979 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.444 ' O ' ' CB ' ' A' ' 98' ' ' ALA . 3.2 m-20 -152.34 121.08 6.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -64.37 -45.77 86.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.113 . . . . 0.0 110.3 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.464 ' CG2' ' N ' ' A' ' 97' ' ' GLU . 6.9 t -51.64 -50.52 60.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.427 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.464 ' N ' ' CG2' ' A' ' 96' ' ' THR . 3.4 mm-40 -75.98 -50.21 15.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.428 1.08 . . . . 0.0 110.314 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.444 ' CB ' ' O ' ' A' ' 94' ' ' ASP . . . -52.78 -53.38 49.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 53.4 tttp -59.47 -53.19 61.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.553 ' CD2' ' C ' ' A' ' 100' ' ' HIS . 0.2 OUTLIER -48.87 -43.65 39.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.584 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.47 ' ND2' ' CD1' ' A' ' 85' ' ' TYR . 1.2 m120 -63.77 -54.41 35.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.799 ' HB3' ' HB1' ' A' ' 132' ' ' ALA . 4.0 m-85 -51.1 -49.0 61.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -64.45 -22.09 66.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.588 HD13 ' CE2' ' A' ' 85' ' ' TYR . 0.0 OUTLIER -75.58 -47.59 26.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.556 ' HB1' ' CZ ' ' A' ' 109' ' ' PHE . . . -62.24 -23.8 66.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.412 ' HA ' ' CD2' ' A' ' 109' ' ' PHE . 2.3 m -64.31 -54.58 30.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 110.429 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.413 ' HG2' HD23 ' A' ' 104' ' ' LEU . 0.5 OUTLIER -54.75 -23.63 18.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.17 . . . . 0.0 110.329 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.773 ' HD1' HG13 ' A' ' 78' ' ' VAL . 12.5 m-85 -82.72 -46.18 13.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.556 ' CZ ' ' HB1' ' A' ' 105' ' ' ALA . 21.8 m-30 -53.67 -37.03 62.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 111.023 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.457 ' HA ' ' NE2' ' A' ' 110' ' ' GLN . 11.0 tp60 -56.72 -29.16 62.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.972 ' HB2' HG11 ' A' ' 78' ' ' VAL . 61.5 mt-30 -80.99 -42.91 20.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 110.326 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.65 -51.67 68.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.322 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.806 HG12 ' HB3' ' A' ' 122' ' ' TYR . 5.2 m -64.88 -38.99 84.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -45.4 -47.97 13.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -68.29 -37.23 80.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 110.293 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.43 ' O ' ' CG ' ' A' ' 116' ' ' GLN . 1.5 tt0 -161.73 90.33 1.46 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.137 . . . . 0.0 110.296 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.468 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.1 Cg_endo -75.03 -3.09 13.41 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.5 1.789 . . . . 0.0 110.993 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -86.02 -8.3 58.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -71.54 118.43 14.35 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.566 1.166 . . . . 0.0 109.282 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 62.1 p -55.49 -50.8 68.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.377 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.446 ' CD2' ' H ' ' A' ' 121' ' ' HIS . 12.3 m-70 -49.63 -59.33 3.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.593 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.806 ' HB3' HG12 ' A' ' 113' ' ' VAL . 10.4 m-30 -51.83 -34.27 39.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.888 ' O ' HD22 ' A' ' 123' ' ' LEU . 0.0 OUTLIER -65.93 -52.09 52.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.745 ' N ' HD13 ' A' ' 123' ' ' LEU . 1.5 tptp -57.65 -40.45 79.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.467 ' O ' HG23 ' A' ' 129' ' ' THR . 0.8 OUTLIER -62.43 -39.3 92.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.96 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.473 HD12 ' HA ' ' A' ' 126' ' ' LEU . 10.9 tp -73.41 -44.79 57.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.54 -33.07 74.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.246 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . 0.403 ' N ' ' O ' ' A' ' 124' ' ' LYS . 21.8 mmm -57.49 -29.35 64.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.467 HG22 ' HE2' ' A' ' 109' ' ' PHE . 14.0 p -68.54 -29.96 68.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 110.377 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -42.31 -48.54 5.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.413 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 0.7 OUTLIER -114.24 48.48 1.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.812 ' HB3' ' HD3' ' A' ' 133' ' ' PRO . . . -63.66 -52.86 55.58 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.262 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . 0.812 ' HD3' ' HB3' ' A' ' 132' ' ' ALA . 18.3 Cg_endo -75.04 -23.87 13.31 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.506 1.793 . . . . 0.0 110.986 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . 0.461 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 6.3 tp-100 -80.47 -50.68 9.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.715 ' O ' ' HB2' ' A' ' 139' ' ' ALA . 59.0 mt -51.58 -40.57 60.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.268 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -68.02 -44.58 76.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.617 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.521 ' O ' ' CB ' ' A' ' 141' ' ' LYS . . . -61.79 -52.44 64.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.258 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.47 ' CG ' ' HA ' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -68.92 -27.03 65.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.715 ' HB2' ' O ' ' A' ' 135' ' ' LEU . . . -63.94 -50.65 67.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . 0.557 ' CE2' ' HA ' ' A' ' 93' ' ' PRO . 6.4 m-85 -84.17 -43.22 15.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.974 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.521 ' CB ' ' O ' ' A' ' 137' ' ' ALA . 1.3 ttpt -57.34 -48.11 79.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.69 127.26 34.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 172.36 -115.12 0.55 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.478 1.111 . . . . 0.0 110.984 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.4 tt -68.48 -65.17 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 0.769 . . . . 0.0 109.32 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -70.01 -116.66 0.04 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.471 1.107 . . . . 0.0 110.995 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 96.72 102.87 2.08 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 2.2 m -162.16 81.93 0.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 0.751 . . . . 0.0 109.991 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -108.82 129.72 55.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.576 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 10.7 m170 -42.76 111.23 0.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.584 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -160.85 166.82 27.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 109.605 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -43.45 162.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.602 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 27.3 m-70 -72.58 129.08 37.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.628 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 33.1 m170 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.608 -179.979 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . 0.488 ' O ' HD12 ' A' ' -2' ' ' LEU . 18.3 Cg_endo -74.95 170.23 20.86 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.493 1.786 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . 0.488 HD12 ' O ' ' A' ' -3' ' ' PRO . 0.3 OUTLIER -166.96 66.41 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -175.56 -67.05 0.05 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.477 1.111 . . . . 0.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 54.6 p -73.89 -36.35 64.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 0.793 . . . . 0.0 109.981 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER 63.44 79.86 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 111.04 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.96 168.83 12.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.442 HG23 ' N ' ' A' ' 4' ' ' GLU . 0.5 OUTLIER 56.64 171.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 110.424 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.512 ' O ' ' CB ' ' A' ' 5' ' ' THR . 0.3 OUTLIER 70.68 -165.57 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.327 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.524 ' O ' ' CB ' ' A' ' 6' ' ' GLU . 2.0 m 82.93 21.39 0.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.4 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.524 ' CB ' ' O ' ' A' ' 5' ' ' THR . 2.1 pt-20 88.4 -33.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 110.322 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.438 ' N ' ' HG2' ' A' ' 6' ' ' GLU . 17.7 m-30 -54.78 -54.34 43.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 111.034 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.75 -39.45 24.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.5 ttm180 -72.37 -36.71 68.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 110.295 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 1.019 HG23 ' CD2' ' A' ' 44' ' ' LEU . 16.1 mt -62.77 -33.85 62.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.528 HD23 ' N ' ' A' ' 11' ' ' LEU . 4.4 mt -63.67 -41.11 98.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.883 HD12 HD12 ' A' ' 16' ' ' ILE . 0.2 OUTLIER -61.38 -47.96 83.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.749 ' CD1' HG23 ' A' ' 40' ' ' VAL . 13.8 m-85 -63.81 -25.38 68.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.972 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.426 ' CG ' ' O ' ' A' ' 10' ' ' ILE . 3.0 mm-40 -68.0 -55.94 10.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.237 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.477 ' HG3' ' N ' ' A' ' 16' ' ' ILE . 3.8 pt20 -55.99 -29.41 60.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.328 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.883 HD12 HD12 ' A' ' 12' ' ' LEU . 12.7 mt -71.45 -51.04 36.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 109.345 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.51 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 2.3 ttt180 -51.36 -58.49 6.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.261 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.43 ' HG3' ' N ' ' A' ' 19' ' ' ASP . 18.1 pt20 -50.77 -46.32 59.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.322 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.43 ' N ' ' HG3' ' A' ' 18' ' ' GLN . 0.1 OUTLIER -62.89 -28.47 70.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.739 ' HB1' ' CG ' ' A' ' 37' ' ' TRP . . . -70.98 -41.91 70.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.659 ' HG2' ' CZ2' ' A' ' 37' ' ' TRP . 2.9 mt-10 -66.46 -40.46 89.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 110.285 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.486 ' HA ' ' CE ' ' A' ' 25' ' ' LYS . 1.0 OUTLIER -75.52 -36.71 60.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.344 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.587 HG21 ' CG ' ' A' ' 33' ' ' ASN . 1.3 m -60.41 -26.23 66.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.412 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.452 ' O ' ' CD ' ' A' ' 28' ' ' PRO . 0.0 OUTLIER -54.58 -60.92 2.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.994 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.486 ' CE ' ' HA ' ' A' ' 22' ' ' ASN . 0.0 OUTLIER -64.09 -26.76 68.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.5 t -71.82 -39.5 69.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.988 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -169.57 84.53 0.62 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.452 ' CD ' ' O ' ' A' ' 24' ' ' TYR . 18.3 Cg_endo -74.98 -0.87 10.48 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.44 1.758 . . . . 0.0 111.028 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.811 ' O ' HG21 ' A' ' 70' ' ' ILE . 9.8 mt -91.08 -23.62 20.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -64.58 99.44 0.31 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.807 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . . . -74.01 -21.76 59.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -69.81 -47.5 62.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.266 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.587 ' CG ' HG21 ' A' ' 23' ' ' THR . 0.2 OUTLIER -70.94 -40.06 72.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.847 HD22 ' O ' ' A' ' 63' ' ' LYS . 0.2 OUTLIER -59.17 -50.21 74.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.095 . . . . 0.0 109.283 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 40.3 m -58.74 -35.12 72.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.408 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.46 -23.93 62.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 110.298 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.739 ' CG ' ' HB1' ' A' ' 20' ' ' ALA . 6.1 t90 -67.02 -27.47 67.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 0.0 107.991 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.616 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -84.79 -58.21 2.17 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -38.89 -44.98 2.04 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.749 HG23 ' CD1' ' A' ' 13' ' ' PHE . 4.7 p -67.38 -48.79 76.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.515 0.773 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.63 HD11 ' OE2' ' A' ' 59' ' ' GLU . 12.0 mt -49.69 -44.14 47.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.468 HD13 HD22 ' A' ' 83' ' ' ASN . 17.2 mt -64.27 -37.88 89.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.516 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 15.2 mm-40 -63.03 -51.62 66.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.349 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 1.019 ' CD2' HG23 ' A' ' 10' ' ' ILE . 13.9 mt -62.06 -34.08 75.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.425 ' N ' ' HE1' ' A' ' 56' ' ' MET . 0.3 OUTLIER -61.9 -21.57 64.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.037 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.684 ' HB2' ' CE1' ' A' ' 47' ' ' PHE . 36.3 mt-30 -67.97 -3.43 9.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 110.365 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.684 ' CE1' ' HB2' ' A' ' 46' ' ' GLN . 0.1 OUTLIER -157.05 60.89 0.51 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.14 . . . . 0.0 110.989 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -157.03 140.61 15.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.585 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.3 t -40.7 136.5 1.37 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.136 . . . . 0.0 110.005 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.939 ' CG1' HD22 ' A' ' 91' ' ' LEU . 1.0 OUTLIER -48.04 -41.83 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.0 t -52.21 -47.71 65.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 109.994 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.36 -26.61 38.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.582 ' HB3' ' HA ' ' A' ' 50' ' ' ILE . . . -61.85 -53.29 57.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.113 . . . . 0.0 109.247 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.477 ' CD ' HG23 ' A' ' 50' ' ' ILE . 23.9 mtpt -55.87 -53.28 58.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -54.81 -42.93 72.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 110.315 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.611 ' HG2' HD22 ' A' ' 41' ' ' LEU . 8.8 mtp -65.45 -36.58 84.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 111.026 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.764 HG21 ' HB2' ' A' ' 88' ' ' PHE . 18.3 mt -72.61 -51.42 28.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.461 ' O ' HG23 ' A' ' 62' ' ' THR . 4.1 mt-30 -45.49 -54.37 7.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.63 ' OE2' HD11 ' A' ' 41' ' ' LEU . 3.1 pt-20 -65.12 -35.34 80.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 110.328 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.413 ' N ' ' HG2' ' A' ' 59' ' ' GLU . . . -59.52 -28.87 67.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.404 HG22 ' N ' ' A' ' 62' ' ' THR . 0.4 OUTLIER -76.37 -56.19 8.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.461 HG23 ' O ' ' A' ' 58' ' ' GLN . 56.8 p -50.21 -35.33 26.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 110.394 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.847 ' O ' HD22 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -60.39 -51.97 67.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.234 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.616 ' CE1' ' HA3' ' A' ' 38' ' ' GLY . 21.5 m-85 -56.96 -41.24 77.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 111.039 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.79 -55.67 10.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 110.35 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.445 ' HA ' HD12 ' A' ' 69' ' ' LEU . 2.3 tp10 -56.46 -38.8 72.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.327 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.717 ' HA ' HD12 ' A' ' 70' ' ' ILE . . . -64.3 -43.75 93.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.71 HD21 HG23 ' A' ' 78' ' ' VAL . 13.8 mt -60.75 -29.19 69.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.445 HD12 ' HA ' ' A' ' 66' ' ' GLU . 0.7 OUTLIER -69.33 -34.97 75.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.811 HG21 ' O ' ' A' ' 29' ' ' LEU . 5.9 mt -71.44 -44.34 71.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -149.08 113.61 3.6 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -6.31 17.89 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.475 1.776 . . . . 0.0 111.005 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 75' ' ' ASP . 5.6 mmtp -87.24 -6.98 58.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.503 ' CE ' ' HA ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -65.89 74.77 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 73' ' ' LYS . 0.9 OUTLIER -51.81 -34.7 41.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.438 ' HG3' ' CE3' ' A' ' 79' ' ' TRP . 24.2 tt0 -59.21 -52.44 65.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.282 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.56 -32.33 40.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.303 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.969 HG11 ' HB2' ' A' ' 111' ' ' GLN . 25.4 t -74.53 -52.97 18.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.438 ' CE3' ' HG3' ' A' ' 76' ' ' GLU . 0.4 OUTLIER -59.25 -48.77 80.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 108.017 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.576 ' HB3' ' CZ ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -50.37 -53.5 28.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 108.267 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.573 HG21 ' CZ ' ' A' ' 108' ' ' PHE . 55.1 mt -51.85 -30.87 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.47 ' HA3' ' CE1' ' A' ' 109' ' ' PHE . . . -80.06 -42.17 11.22 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.468 HD22 HD13 ' A' ' 42' ' ' LEU . 1.3 t30 -64.45 -31.73 73.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 0.769 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.572 ' HB1' HG23 ' A' ' 57' ' ' ILE . . . -69.88 -55.71 9.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.512 ' CD2' ' O ' ' A' ' 81' ' ' ILE . 7.9 m-85 -54.17 -41.13 68.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.583 1.177 . . . . 0.0 110.967 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 17.5 m -54.7 -50.82 67.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.425 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.2 t -64.07 -51.82 62.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.003 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.764 ' HB2' HG21 ' A' ' 57' ' ' ILE . 45.7 t80 -51.1 -41.83 60.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 111.014 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.701 ' HB1' ' CD2' ' A' ' 102' ' ' PHE . . . -56.09 -52.62 63.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -55.0 -18.0 4.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.939 HD22 ' CG1' ' A' ' 50' ' ' ILE . 33.6 mt -93.89 -22.35 18.67 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.452 HG22 ' HB2' ' A' ' 98' ' ' ALA . 0.9 OUTLIER -96.9 116.55 66.11 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 110.426 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.443 ' O ' ' N ' ' A' ' 95' ' ' GLU . 18.3 Cg_endo -75.03 -24.52 12.68 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.557 1.819 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -58.98 86.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 93' ' ' PRO . 49.7 mt-10 -39.88 -47.25 2.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.09 . . . . 0.0 110.309 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.4 m -52.61 -51.29 60.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.39 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -72.54 -48.93 36.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.572 1.17 . . . . 0.0 110.331 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.452 ' HB2' HG22 ' A' ' 92' ' ' THR . . . -53.19 -53.81 45.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.41 -43.07 97.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.128 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.448 ' CD2' ' C ' ' A' ' 100' ' ' HIS . 1.3 t60 -59.7 -43.46 94.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.156 . . . . 0.0 109.574 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -72.52 -47.6 47.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.259 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.898 ' CD1' ' HB1' ' A' ' 132' ' ' ALA . 1.6 m-85 -52.25 -50.27 62.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 111.021 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.81 -19.82 65.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.491 HD23 ' HG2' ' A' ' 107' ' ' GLN . 0.0 OUTLIER -68.57 -45.03 73.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.674 ' HB1' ' CZ ' ' A' ' 109' ' ' PHE . . . -59.72 -34.77 73.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 4.3 m -58.33 -56.57 20.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 110.349 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.491 ' HG2' HD23 ' A' ' 104' ' ' LEU . 0.8 OUTLIER -55.07 -24.2 24.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.275 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.738 ' HD1' HG13 ' A' ' 78' ' ' VAL . 4.5 m-85 -84.42 -49.46 8.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.674 ' CZ ' ' HB1' ' A' ' 105' ' ' ALA . 21.4 m-85 -54.6 -32.23 58.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.128 . . . . 0.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.439 ' HA ' ' NE2' ' A' ' 110' ' ' GLN . 4.0 tp60 -60.11 -28.99 68.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.969 ' HB2' HG11 ' A' ' 78' ' ' VAL . 37.7 mt-30 -81.42 -37.65 27.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -57.19 -52.86 63.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 117' ' ' PRO . 4.4 m -63.94 -34.53 68.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -44.37 -45.43 8.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.475 ' C ' ' HG2' ' A' ' 116' ' ' GLN . 29.5 mm-40 -75.03 -44.25 48.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 110.332 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.475 ' HG2' ' C ' ' A' ' 115' ' ' GLU . 1.3 mm-40 -138.72 83.83 19.04 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 110.34 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.457 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.2 Cg_endo -74.99 -11.76 21.5 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.464 1.77 . . . . 0.0 110.986 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -92.91 -12.42 30.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.411 ' HB3' ' ND1' ' A' ' 121' ' ' HIS . 15.6 m-20 -71.96 115.71 11.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.526 HG23 ' H ' ' A' ' 121' ' ' HIS . 1.5 t -54.93 -57.75 10.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 0.0 110.416 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.566 ' N ' ' ND1' ' A' ' 121' ' ' HIS . 0.0 OUTLIER -45.86 -35.99 4.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.112 . . . . 0.0 109.592 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.408 ' O ' ' OG ' ' A' ' 125' ' ' SER . 4.1 m-30 -81.24 -25.6 36.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 111.026 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.929 HD13 ' N ' ' A' ' 124' ' ' LYS . 0.0 OUTLIER -81.42 -45.99 15.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.929 ' N ' HD13 ' A' ' 123' ' ' LEU . 5.3 tptt -49.89 -39.14 38.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.423 ' O ' ' HB ' ' A' ' 129' ' ' THR . 0.0 OUTLIER -54.68 -41.91 70.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.997 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.492 HD22 ' HB3' ' A' ' 109' ' ' PHE . 3.0 mm? -66.67 -43.65 83.96 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.629 ' O ' ' HB3' ' A' ' 130' ' ' ALA . 3.1 tp10 -67.9 -42.65 80.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.255 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.38 -59.81 4.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 110.97 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.473 ' O ' ' HB2' ' A' ' 132' ' ' ALA . 0.5 OUTLIER -56.58 -22.23 32.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.395 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.629 ' HB3' ' O ' ' A' ' 127' ' ' GLU . . . -44.06 -53.88 5.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.412 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 3.3 mttt -96.71 41.99 1.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.898 ' HB1' ' CD1' ' A' ' 102' ' ' PHE . . . -58.49 -48.26 97.25 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . 0.652 ' HD3' ' HB3' ' A' ' 132' ' ' ALA . 18.2 Cg_endo -75.04 -24.55 12.66 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.455 1.766 . . . . 0.0 111.002 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . 0.444 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 18.4 tp60 -80.58 -47.42 14.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.311 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.643 ' O ' ' HB2' ' A' ' 139' ' ' ALA . 9.0 mt -55.98 -41.65 75.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . 0.589 ' HB2' ' CE2' ' A' ' 102' ' ' PHE . 59.4 t-80 -66.5 -42.56 87.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.604 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.537 ' O ' ' CB ' ' A' ' 141' ' ' LYS . . . -62.09 -52.92 61.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.502 ' O ' ' CG ' ' A' ' 142' ' ' GLN . 0.0 OUTLIER -69.43 -36.25 76.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.643 ' HB2' ' O ' ' A' ' 135' ' ' LEU . . . -56.93 -48.16 78.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . 0.569 ' CE1' ' CD2' ' A' ' 136' ' ' HIS . 5.1 m-85 -83.99 -43.06 15.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.981 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.537 ' CB ' ' O ' ' A' ' 137' ' ' ALA . 3.9 tmtt? -58.54 -48.03 82.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.161 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . 0.502 ' CG ' ' O ' ' A' ' 138' ' ' GLU . 0.9 OUTLIER -72.0 140.49 49.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 110.259 -179.93 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -61.95 -135.43 0.01 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.478 1.111 . . . . 0.0 111.003 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -165.53 147.13 7.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 0.757 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 143.32 -90.34 0.17 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.491 1.12 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -93.27 -88.02 1.59 Allowed Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 6.9 m 59.49 101.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 0.743 . . . . 0.0 110.02 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 6.7 t-160 -161.34 101.12 1.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.569 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 59.1 m80 -79.09 176.01 10.06 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.459 1.099 . . . . 0.0 109.591 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -172.19 123.72 0.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.641 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 59.2 161.02 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.633 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 13.9 p-80 -93.32 -54.79 3.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 0.0 109.549 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 10.6 t60 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.641 -179.954 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -173.55 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.57 1.826 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -160.81 129.67 4.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 0.0 109.281 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . 0.447 ' HA3' HG21 ' A' ' 3' ' ' THR . . . -107.16 165.52 13.21 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.488 1.117 . . . . 0.0 111.022 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 78.3 p -78.2 -30.78 49.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 0.78 . . . . 0.0 110.049 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.564 ' O ' HG23 ' A' ' 3' ' ' THR . 3.3 ptp -161.95 174.91 12.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 54.95 46.21 24.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.564 HG23 ' O ' ' A' ' 1' ' ' MET . 16.6 p -132.39 173.64 11.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.412 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 6' ' ' GLU . 0.6 OUTLIER 73.55 -163.66 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.326 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.416 ' HB ' ' O ' ' A' ' 4' ' ' GLU . 96.8 m 68.29 -59.59 0.44 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.373 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.569 ' HB2' ' CD1' ' A' ' 47' ' ' PHE . 1.6 pt-20 -156.71 -43.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 110.349 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -45.55 -55.17 6.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.158 . . . . 0.0 110.998 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -48.0 -43.28 29.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.433 ' NH1' ' HB2' ' A' ' 9' ' ' ARG . 10.5 ttm105 -73.14 -34.27 65.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 0.0 110.314 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.872 HG23 ' CD2' ' A' ' 44' ' ' LEU . 96.5 mt -63.56 -37.7 80.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.415 HD23 ' N ' ' A' ' 11' ' ' LEU . 5.9 mt -57.34 -33.35 67.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.794 HD12 HD12 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -70.22 -50.47 39.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.526 ' HD1' HG23 ' A' ' 40' ' ' VAL . 18.3 m-85 -63.88 -30.93 71.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 0.0 110.966 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -61.85 -60.27 3.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 110.299 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.456 ' HA ' ' NE2' ' A' ' 18' ' ' GLN . 10.3 pt20 -49.72 -35.3 21.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 110.315 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.794 HD12 HD12 ' A' ' 12' ' ' LEU . 20.7 mt -71.35 -47.8 57.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.561 1.163 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.1 ttt180 -52.05 -46.7 65.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 110.278 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.456 ' NE2' ' HA ' ' A' ' 15' ' ' GLN . 15.2 pt20 -67.46 -42.05 83.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.452 ' O ' ' CB ' ' A' ' 23' ' ' THR . 0.1 OUTLIER -65.64 -39.29 91.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.162 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.847 ' HB1' ' HB2' ' A' ' 37' ' ' TRP . . . -73.58 -54.77 7.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.259 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.556 ' HG3' ' CZ2' ' A' ' 37' ' ' TRP . 8.3 tt0 -54.86 -47.67 73.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.7 t30 -64.67 -47.69 77.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.618 HG21 ' CG ' ' A' ' 33' ' ' ASN . 2.5 m -54.02 -24.43 16.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 110.391 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.443 ' CB ' ' O ' ' A' ' 21' ' ' GLU . 8.6 t80 -52.84 -60.13 3.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.963 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.78 -27.17 69.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 48.4 t -70.6 -36.21 73.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.165 . . . . 0.0 110.027 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -169.36 89.76 0.58 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -2.55 12.68 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.493 1.786 . . . . 0.0 110.986 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.828 ' O ' HG21 ' A' ' 70' ' ' ILE . 8.1 mt -91.42 -10.68 40.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -73.66 99.83 3.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.467 1.105 . . . . 0.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.745 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . . . -70.18 -21.9 63.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.364 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -72.22 -55.41 7.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.618 ' CG ' HG21 ' A' ' 23' ' ' THR . 24.0 t-20 -70.8 -32.08 69.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.25 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.995 ' HG ' ' HB2' ' A' ' 67' ' ' ALA . 0.5 OUTLIER -65.27 -55.07 20.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 109.267 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.1 m -59.8 -33.45 71.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.389 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.423 ' HD3' ' CG2' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -70.38 -44.57 67.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.315 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.847 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . 13.7 t90 -51.63 -27.67 12.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 108.006 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.426 ' HA3' ' CE1' ' A' ' 64' ' ' PHE . . . -83.88 -56.58 2.57 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.509 1.13 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -40.49 -45.58 3.43 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.526 HG23 ' HD1' ' A' ' 13' ' ' PHE . 0.9 OUTLIER -67.31 -46.52 83.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.471 0.748 . . . . 0.0 109.296 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.446 ' N ' ' CG1' ' A' ' 40' ' ' VAL . 10.0 mt -49.31 -44.94 44.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.322 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.697 HD13 HD22 ' A' ' 83' ' ' ASN . 17.6 mt -62.83 -38.42 90.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.166 . . . . 0.0 109.291 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -65.72 -56.46 11.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.335 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.872 ' CD2' HG23 ' A' ' 10' ' ' ILE . 11.8 mt -61.71 -25.5 67.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.32 -36.09 75.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 110.005 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.486 ' CG ' ' N ' ' A' ' 47' ' ' PHE . 1.3 pt20 -67.93 -44.97 75.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.622 ' HB3' HD11 ' A' ' 10' ' ' ILE . 74.8 m-85 -78.02 -20.5 52.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.982 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.444 ' N ' ' O ' ' A' ' 44' ' ' LEU . 20.0 m-70 -92.92 137.87 31.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.168 . . . . 0.0 109.617 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.515 ' O ' ' N ' ' A' ' 53' ' ' ALA . 25.8 p -40.81 154.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.993 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.746 ' CG1' HD22 ' A' ' 91' ' ' LEU . 1.0 OUTLIER -53.01 -50.02 46.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.424 ' N ' HG22 ' A' ' 50' ' ' ILE . 5.7 t -46.31 -46.56 18.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.992 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.469 ' O ' ' CG ' ' A' ' 56' ' ' MET . 0.4 OUTLIER -82.14 -25.37 34.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 109.273 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.679 ' HB3' ' HA ' ' A' ' 50' ' ' ILE . . . -67.77 -56.4 9.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.524 ' CD ' HG23 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -58.22 -48.98 78.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.431 ' NE2' ' OD1' ' A' ' 52' ' ' ASP . 1.5 pt20 -61.47 -33.42 73.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.24 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.539 ' HE1' ' C ' ' A' ' 44' ' ' LEU . 36.1 mtp -70.59 -30.46 67.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 111.012 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.91 HG23 ' HB1' ' A' ' 84' ' ' ALA . 36.3 mt -72.79 -47.14 50.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.449 ' O ' HG22 ' A' ' 62' ' ' THR . 19.9 mt-30 -46.06 -54.38 8.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 110.312 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.498 ' HA ' ' CG2' ' A' ' 62' ' ' THR . 5.1 pt-20 -66.04 -38.33 88.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.317 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.16 -49.47 77.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.113 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.612 HG22 ' N ' ' A' ' 62' ' ' THR . 0.1 OUTLIER -53.24 -62.27 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.612 ' N ' HG22 ' A' ' 61' ' ' ILE . 1.8 t -51.84 -28.52 16.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.391 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.485 ' HE3' ' CH2' ' A' ' 37' ' ' TRP . 0.6 OUTLIER -65.92 -36.89 84.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.613 ' CZ ' ' SG ' ' A' ' 80' ' ' CYS . 21.5 m-85 -71.21 -39.51 71.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -48.27 -55.53 10.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 110.289 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.636 ' HB3' HD21 ' A' ' 34' ' ' LEU . 0.7 OUTLIER -60.88 -44.97 96.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.091 . . . . 0.0 110.266 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.995 ' HB2' ' HG ' ' A' ' 34' ' ' LEU . . . -57.87 -33.75 69.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.691 HD21 HG23 ' A' ' 78' ' ' VAL . 7.2 mt -70.02 -30.59 67.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' A' ' 66' ' ' GLU . 0.5 OUTLIER -68.34 -29.62 68.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.828 HG21 ' O ' ' A' ' 29' ' ' LEU . 4.3 mt -78.96 -41.14 23.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.088 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -147.05 103.54 3.83 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -16.24 20.3 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.528 1.804 . . . . 0.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt -82.67 -0.9 49.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.59 81.13 2.0 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.463 ' HB3' ' CG ' ' A' ' 115' ' ' GLU . 0.3 OUTLIER -54.07 -26.13 25.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.259 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.416 ' HG3' ' CE3' ' A' ' 79' ' ' TRP . 2.2 tp10 -65.53 -52.44 52.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.329 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.5 -32.83 42.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.338 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.99 HG11 ' HB2' ' A' ' 111' ' ' GLN . 37.0 t -74.65 -53.39 16.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 109.286 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.416 ' CE3' ' HG3' ' A' ' 76' ' ' GLU . 0.4 OUTLIER -57.83 -44.34 86.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 107.985 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.613 ' SG ' ' CZ ' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -50.28 -53.33 29.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 108.318 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.786 HG21 ' CZ ' ' A' ' 108' ' ' PHE . 86.2 mt -51.93 -51.65 27.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.575 ' HA3' ' CE1' ' A' ' 109' ' ' PHE . . . -61.16 -42.3 99.74 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.485 1.116 . . . . 0.0 111.028 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.697 HD22 HD13 ' A' ' 42' ' ' LEU . 4.6 t30 -64.0 -36.22 83.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 0.774 . . . . 0.0 109.272 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.91 ' HB1' HG23 ' A' ' 57' ' ' ILE . . . -69.67 -54.63 12.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.11 . . . . 0.0 109.298 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.626 ' CE2' HD11 ' A' ' 104' ' ' LEU . 3.8 m-85 -56.05 -39.54 72.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 54.9 m -60.6 -49.31 78.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 110.418 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 13.2 m -66.62 -49.28 66.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.965 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.745 ' HB2' HG21 ' A' ' 57' ' ' ILE . 18.4 t80 -52.66 -32.92 44.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 111.041 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.427 ' HB1' ' CD2' ' A' ' 102' ' ' PHE . . . -63.39 -49.59 73.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -56.19 -21.19 21.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.746 HD22 ' CG1' ' A' ' 50' ' ' ILE . 12.6 mt -89.27 -23.71 22.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.422 HG22 ' HB2' ' A' ' 98' ' ' ALA . 0.8 OUTLIER -94.65 119.09 66.68 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.386 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.514 ' HA ' ' CE2' ' A' ' 140' ' ' TYR . 18.4 Cg_endo -74.99 -28.02 9.55 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.525 1.803 . . . . 0.0 111.037 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.95 93.11 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -43.86 -47.2 8.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.3 m -52.1 -49.93 62.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.351 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -72.72 -48.28 40.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.125 . . . . 0.0 110.331 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.422 ' HB2' HG22 ' A' ' 92' ' ' THR . . . -54.11 -53.55 51.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.353 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.4 -42.18 95.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.52 ' CD2' ' C ' ' A' ' 100' ' ' HIS . 0.2 OUTLIER -57.45 -46.1 84.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.626 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ASN . . . . . 0.414 ' O ' ' N ' ' A' ' 105' ' ' ALA . 10.3 m120 -70.26 -46.76 63.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.767 ' CD1' ' HB1' ' A' ' 132' ' ' ALA . 1.1 m-85 -51.3 -54.26 27.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.39 -35.41 73.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.696 HD22 ' O ' ' A' ' 104' ' ' LEU . 1.5 tm? -66.12 -22.16 66.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.35 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 101' ' ' ASN . . . -82.3 -25.07 34.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.8 m -67.71 -50.64 56.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 110.366 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -46.59 -30.66 2.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.331 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.786 ' CZ ' HG21 ' A' ' 81' ' ' ILE . 11.2 m-85 -79.41 -48.3 14.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.112 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.617 ' CD2' HG21 ' A' ' 129' ' ' THR . 22.2 m-85 -54.37 -27.09 33.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.563 1.165 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.69 -28.73 68.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.281 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.99 ' HB2' HG11 ' A' ' 78' ' ' VAL . 35.2 mt-30 -82.43 -35.91 27.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.308 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.4 -49.76 76.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.556 1.16 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.794 HG12 ' HB3' ' A' ' 122' ' ' TYR . 7.1 m -66.37 -36.8 78.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -45.19 -48.29 12.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.463 ' CG ' ' HB3' ' A' ' 75' ' ' ASP . 20.2 mm-40 -70.04 -42.31 73.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.251 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.549 ' HG3' ' CD2' ' A' ' 122' ' ' TYR . 7.6 pt20 -151.77 88.44 4.23 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 110.313 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.476 ' N ' ' O ' ' A' ' 113' ' ' VAL . 18.3 Cg_endo -75.0 -2.07 12.06 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.498 1.788 . . . . 0.0 111.01 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -91.97 -12.34 33.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.458 ' ND2' ' NE2' ' A' ' 116' ' ' GLN . 2.8 t-20 -67.23 118.67 10.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 44.4 p -54.97 -48.91 72.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 110.396 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.449 ' CD2' ' H ' ' A' ' 121' ' ' HIS . 11.4 m-70 -49.26 -50.43 38.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.615 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.794 ' HB3' HG12 ' A' ' 113' ' ' VAL . 9.6 m-30 -67.62 -30.62 70.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 110.961 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.918 HD13 ' N ' ' A' ' 124' ' ' LYS . 0.0 OUTLIER -71.49 -53.26 14.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.918 ' N ' HD13 ' A' ' 123' ' ' LEU . 3.1 tptt -59.01 -45.93 89.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.257 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.476 ' O ' ' HG3' ' A' ' 128' ' ' MET . 0.5 OUTLIER -55.39 -45.58 76.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.028 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.47 ' O ' ' OG1' ' A' ' 129' ' ' THR . 14.5 tp -74.27 -29.35 61.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.234 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 123' ' ' LEU . 3.1 tp10 -68.78 -57.47 5.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 110.324 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . 0.494 ' SD ' ' N ' ' A' ' 129' ' ' THR . 3.6 ppp? -55.71 -37.61 68.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 111.049 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.617 HG21 ' CD2' ' A' ' 109' ' ' PHE . 0.2 OUTLIER -53.2 -34.31 56.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.405 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -43.64 -35.69 1.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 23.6 mtmt -114.42 44.92 1.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.767 ' HB1' ' CD1' ' A' ' 102' ' ' PHE . . . -63.28 -44.44 83.08 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . 0.639 ' CD ' ' N ' ' A' ' 132' ' ' ALA . 18.3 Cg_endo -75.01 -29.69 7.95 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.483 1.78 . . . . 0.0 111.002 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . 0.465 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 53.6 mm-40 -80.86 -47.24 14.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 110.3 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.694 ' O ' ' HB2' ' A' ' 139' ' ' ALA . 48.8 mt -51.13 -40.86 59.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' HIS . . . . . 0.578 ' HB2' ' CE2' ' A' ' 102' ' ' PHE . 60.2 t-80 -68.07 -44.51 76.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.593 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.541 ' O ' ' CB ' ' A' ' 141' ' ' LYS . . . -61.72 -52.58 63.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 109.308 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.501 ' O ' ' CB ' ' A' ' 142' ' ' GLN . 0.1 OUTLIER -68.56 -26.89 65.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 0.0 110.304 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.694 ' HB2' ' O ' ' A' ' 135' ' ' LEU . . . -66.44 -51.6 55.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.151 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . 0.514 ' CE2' ' HA ' ' A' ' 93' ' ' PRO . 5.8 m-85 -81.69 -42.37 20.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.951 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . 0.541 ' CB ' ' O ' ' A' ' 137' ' ' ALA . 0.3 OUTLIER -61.16 -48.07 83.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.157 . . . . 0.0 109.307 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . 0.501 ' CB ' ' O ' ' A' ' 138' ' ' GLU . 1.2 tm0? -85.67 131.34 34.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.305 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -40.82 140.93 1.03 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 2.8 tp 63.01 124.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 0.781 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 150.99 -60.5 0.41 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . -136.25 -63.79 0.06 OUTLIER Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.04 165.63 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 0.779 . . . . 0.0 109.971 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 31.9 t-80 63.59 136.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.616 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -166.64 67.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 109.57 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.04 158.15 36.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.569 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -85.13 -63.87 1.25 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.571 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -173.57 134.66 0.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.577 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' HIS . . . . . . . . . . . . . 12.3 p-80 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.625 179.965 . . . . . . . . 0 0 . 1 stop_ save_