data_1ri9_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 1ri9 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.882 ' CE2' ' CD2' ' A' ' 17' ' ' PHE . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.26 0 CA-C-O 120.484 0.183 . . . . 0.0 110.997 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.471 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 18.9 ttm180 -59.99 -28.16 67.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.288 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.48 ' CE ' ' HB2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -54.58 -59.49 4.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.48 ' HB2' ' CE ' ' A' ' 15' ' ' LYS . 29.8 tptt -85.13 -31.16 23.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 1.197 ' O ' ' N ' ' A' ' 19' ' ' TYR . 7.8 m-85 -87.58 29.69 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 110.979 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -35.53 7.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 1.197 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -64.07 122.43 16.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.979 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -101.51 98.11 8.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.68 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.43 -169.83 15.71 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -102.2 91.83 4.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 0.727 . . . . 0.0 110.291 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.893 HD12 ' CE2' ' A' ' 73' ' ' TYR . 0.3 OUTLIER -68.46 108.75 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.262 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -154.19 116.02 4.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.304 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 1.125 HG23 ' CG ' ' A' ' 54' ' ' GLU . 3.7 p -66.31 99.46 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.41 -47.52 7.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 1.107 ' CE2' HG13 ' A' ' 55' ' ' VAL . 31.9 p90 -125.81 88.59 2.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.983 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.62 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 96.8 p -71.83 111.2 6.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.983 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.858 HG23 HD13 ' A' ' 81' ' ' LEU . 1.6 t -90.36 161.14 15.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.381 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.848 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 6.6 mtpt -100.27 138.12 37.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.641 HG22 ' O ' ' A' ' 51' ' ' GLU . 2.1 t -71.26 118.01 15.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.808 HG21 ' H ' ' A' ' 34' ' ' SER . 1.3 m -74.68 134.35 41.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 110.352 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.524 ' O ' ' HB2' ' A' ' 49' ' ' PRO . 8.8 t -43.51 -19.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.414 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.808 ' H ' HG21 ' A' ' 32' ' ' THR . 1.5 p -89.93 14.01 13.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.022 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.676 HG21 ' CA ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -71.24 173.37 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.884 HG22 ' CZ3' ' A' ' 40' ' ' TRP . 1.9 t -70.74 119.8 15.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 110.385 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.75 -27.48 5.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 109.993 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.434 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 4.7 ptpp? -104.37 -47.67 4.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.598 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -67.41 124.54 23.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.884 ' CZ3' HG22 ' A' ' 36' ' ' THR . 6.1 m95 -144.4 128.24 17.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 107.999 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.401 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -118.17 159.75 14.13 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.538 1.149 . . . . 0.0 110.954 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.8 t -56.79 -36.03 69.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 0.768 . . . . 0.0 110.408 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.686 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 5.6 mtm105 -96.66 7.2 47.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 110.293 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.401 ' CB ' ' H ' ' A' ' 41' ' ' GLY . 0.3 OUTLIER -103.97 163.05 12.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 0.0 109.247 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 1.044 HD22 ' CG1' ' A' ' 47' ' ' VAL . 7.7 tp -97.53 149.7 21.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.593 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 5.2 tt0 -88.07 31.28 0.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.278 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 1.044 ' CG1' HD22 ' A' ' 45' ' ' LEU . 16.4 m -64.62 161.07 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.112 . . . . 0.0 109.278 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.46 156.22 42.57 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.676 ' CA ' HG21 ' A' ' 35' ' ' ILE . 18.3 Cg_endo -75.04 130.34 13.14 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.535 1.808 . . . . 0.0 110.998 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.54 10.54 47.14 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.459 1.1 . . . . 0.0 111.026 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.641 ' O ' HG22 ' A' ' 31' ' ' VAL . 0.7 OUTLIER -102.8 171.79 7.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 0.753 . . . . 0.0 110.296 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 26.9 t -126.76 129.93 49.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.995 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.779 HD13 ' O ' ' A' ' 67' ' ' ARG . 32.9 tp -140.26 165.25 27.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 1.125 ' CG ' HG23 ' A' ' 25' ' ' VAL . 0.6 OUTLIER -78.13 133.69 37.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.326 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 1.107 HG13 ' CE2' ' A' ' 27' ' ' TYR . 2.1 t -102.65 128.21 55.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.951 HG21 ' H ' ' A' ' 57' ' ' GLN . 3.5 mt -91.46 -138.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.951 ' H ' HG21 ' A' ' 56' ' ' ILE . 27.0 mm100 -94.49 156.56 16.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.326 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.638 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 7.1 p -67.36 122.44 17.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 110.433 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.474 ' HB ' ' HB3' ' A' ' 63' ' ' LYS . 1.1 m -54.24 -74.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.416 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.421 ' N ' HG21 ' A' ' 59' ' ' THR . 1.6 m-20 -104.64 -91.58 0.38 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -117.59 -57.35 2.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.319 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.471 ' O ' ' HB3' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -117.84 69.98 0.79 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.413 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.638 ' O ' ' HA ' ' A' ' 58' ' ' THR . 4.9 tttt -156.94 130.77 8.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.698 HG21 HD21 ' A' ' 81' ' ' LEU . 4.1 m -120.8 127.37 75.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.933 HD11 ' O ' ' A' ' 74' ' ' GLY . 0.7 OUTLIER -89.0 121.81 31.73 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.447 1.092 . . . . 0.0 109.318 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.769 ' HB3' HD22 ' A' ' 53' ' ' LEU . 21.8 m -91.43 155.47 18.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 108.356 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.779 ' O ' HD13 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -135.25 140.18 45.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 110.276 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.479 ' ND2' ' O ' ' A' ' 72' ' ' LYS . 0.4 OUTLIER -120.74 140.99 50.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.24 -12.35 0.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.276 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.438 ' H ' ' C ' ' A' ' 68' ' ' ASN . 2.0 tp10 -59.29 -11.31 3.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.42 13.92 67.06 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.547 1.154 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.479 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 0.0 OUTLIER -124.77 147.76 48.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 0.761 . . . . 0.0 109.282 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.893 ' CE2' HD12 ' A' ' 23' ' ' ILE . 10.0 m-85 -111.08 167.15 10.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.568 1.168 . . . . 0.0 110.995 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.933 ' O ' HD11 ' A' ' 65' ' ' LEU . . . -157.72 158.41 29.03 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.516 1.135 . . . . 0.0 110.972 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.893 ' CZ ' ' CE2' ' A' ' 17' ' ' PHE . 1.9 m-85 -105.42 153.93 21.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 0.778 . . . . 0.0 110.978 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.756 HG23 ' SG ' ' A' ' 66' ' ' CYS . 2.4 t -142.65 126.31 14.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.543 HD21 ' CD ' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -80.48 143.81 33.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.543 ' CD ' HD21 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -57.6 -22.14 43.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.56 -58.75 4.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.021 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.753 ' CE1' ' CG2' ' A' ' 36' ' ' THR . 20.1 p90 -117.88 83.79 2.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 0.0 111.003 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.865 HD11 ' H ' ' A' ' 82' ' ' ALA . 0.1 OUTLIER -165.91 173.6 10.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.865 ' H ' HD11 ' A' ' 81' ' ' LEU . . . -80.46 174.62 11.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.986 ' CE1' ' CD2' ' A' ' 17' ' ' PHE . 13.9 t80 . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.458 0.171 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.9 ptt85 -59.82 -30.31 68.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 110.323 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.53 -58.6 6.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.254 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.494 ' CG ' ' HD3' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -84.25 -34.12 23.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 1.177 ' O ' ' N ' ' A' ' 19' ' ' TYR . 10.7 m-85 -87.96 27.63 1.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -36.01 8.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.346 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 1.177 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -63.75 122.12 15.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.115 . . . . 0.0 111.003 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -100.74 98.33 8.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.683 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.15 -169.68 15.4 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -100.87 91.95 4.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 0.745 . . . . 0.0 110.311 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.943 HD12 ' CE2' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -68.58 108.43 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -154.85 119.3 4.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.28 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 1.078 HG23 ' CG ' ' A' ' 54' ' ' GLU . 7.4 p -66.81 100.33 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -90.41 -49.19 6.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.234 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 1.103 ' CE2' HG13 ' A' ' 55' ' ' VAL . 30.6 p90 -126.67 88.28 2.8 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.513 1.133 . . . . 0.0 111.048 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.635 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 78.8 p -72.09 111.4 7.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.991 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.824 HG23 HD13 ' A' ' 81' ' ' LEU . 1.7 t -91.59 161.31 14.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.412 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.847 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -100.06 138.66 36.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.677 HG22 ' O ' ' A' ' 51' ' ' GLU . 2.0 t -71.51 123.88 26.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.812 HG21 ' H ' ' A' ' 34' ' ' SER . 1.3 m -78.19 134.46 37.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.358 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.538 ' O ' ' HB2' ' A' ' 49' ' ' PRO . 14.5 t -44.57 -17.85 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 110.427 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.812 ' H ' HG21 ' A' ' 32' ' ' THR . 0.1 OUTLIER -93.4 14.0 19.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.999 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.69 HG21 ' CA ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -70.66 173.57 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.877 HG22 ' CZ3' ' A' ' 40' ' ' TRP . 2.0 t -70.16 119.14 13.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 110.394 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.435 ' HB3' ' CD ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -118.29 -26.93 6.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.999 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.43 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 4.5 ptpt -104.6 -47.45 4.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.607 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -67.62 124.54 23.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.335 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.877 ' CZ3' HG22 ' A' ' 36' ' ' THR . 5.8 m95 -144.6 125.23 14.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 108.02 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.42 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -116.16 160.1 13.54 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.501 1.126 . . . . 0.0 111.046 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.7 t -56.5 -36.25 68.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 0.743 . . . . 0.0 110.406 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.667 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 5.1 mtm180 -95.72 6.9 47.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.341 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.489 ' OD1' ' O ' ' A' ' 75' ' ' TYR . 0.4 OUTLIER -104.58 161.8 13.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 1.024 HD22 ' CG1' ' A' ' 47' ' ' VAL . 7.1 tp -97.24 151.43 19.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.575 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 5.5 tt0 -88.05 30.78 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.323 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 1.024 ' CG1' HD22 ' A' ' 45' ' ' LEU . 17.9 m -64.57 160.35 3.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.427 1.079 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.63 154.97 44.55 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.69 ' CA ' HG21 ' A' ' 35' ' ' ILE . 18.4 Cg_endo -75.0 130.49 13.32 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.523 1.801 . . . . 0.0 111.01 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.22 10.48 48.33 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.469 1.106 . . . . 0.0 110.998 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.677 ' O ' HG22 ' A' ' 31' ' ' VAL . 0.4 OUTLIER -104.33 172.27 6.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.571 0.806 . . . . 0.0 110.334 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.05 129.41 50.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.984 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.802 HD13 ' O ' ' A' ' 67' ' ' ARG . 29.1 tp -139.73 164.13 30.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 1.078 ' CG ' HG23 ' A' ' 25' ' ' VAL . 0.6 OUTLIER -77.72 132.75 38.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.303 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 1.103 HG13 ' CE2' ' A' ' 27' ' ' TYR . 2.1 t -102.23 129.54 53.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.94 HG21 ' H ' ' A' ' 57' ' ' GLN . 3.6 mt -91.97 -137.91 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.94 ' H ' HG21 ' A' ' 56' ' ' ILE . 13.2 tt0 -95.02 156.69 16.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 110.276 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.651 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 7.6 p -67.55 122.8 18.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.39 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.487 ' OG1' ' CE1' ' A' ' 75' ' ' TYR . 1.1 m -54.67 -74.1 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.12 . . . . 0.0 110.388 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.451 ' N ' HG21 ' A' ' 59' ' ' THR . 6.7 t0 -104.58 -92.01 0.37 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.426 ' N ' ' CG ' ' A' ' 60' ' ' ASP . 33.5 m-20 -117.97 -56.68 2.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.539 HG23 ' HD3' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -117.56 69.44 0.77 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.409 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.832 ' HZ1' ' N ' ' A' ' 77' ' ' LEU . 4.1 tttt -157.29 131.12 8.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.681 HG21 HD21 ' A' ' 81' ' ' LEU . 2.9 m -122.15 127.39 75.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 109.349 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.832 HD23 HD11 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -89.19 123.58 33.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.775 ' SG ' HG23 ' A' ' 76' ' ' VAL . 35.0 m -89.34 158.27 17.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 108.321 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.802 ' O ' HD13 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -133.66 145.47 49.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.508 ' OD1' HD23 ' A' ' 45' ' ' LEU . 4.9 m120 -111.34 136.37 50.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.81 -18.74 5.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 110.292 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -77.16 -4.25 43.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 87.98 21.44 46.2 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.49 1.119 . . . . 0.0 110.982 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.28 123.87 48.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 0.732 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.943 ' CE2' HD12 ' A' ' 23' ' ' ILE . 15.4 m-85 -106.64 154.63 20.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 111.006 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.839 ' HA3' HD12 ' A' ' 45' ' ' LEU . . . -157.1 160.5 30.48 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.511 1.132 . . . . 0.0 111.028 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.889 ' CZ ' ' CE2' ' A' ' 17' ' ' PHE . 3.1 m-85 -102.75 154.37 19.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 0.76 . . . . 0.0 111.006 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.775 HG23 ' SG ' ' A' ' 66' ' ' CYS . 2.6 t -142.74 125.54 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.832 ' N ' ' HZ1' ' A' ' 63' ' ' LYS . 0.2 OUTLIER -78.33 143.31 37.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.539 ' HD3' HG23 ' A' ' 62' ' ' THR . 0.0 OUTLIER -57.7 -21.53 41.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.335 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.464 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 14.4 t -49.99 -59.26 4.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 0.0 109.976 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.738 ' CE1' ' CG2' ' A' ' 36' ' ' THR . 19.8 p90 -117.76 83.62 2.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 111.011 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.872 HD11 ' H ' ' A' ' 82' ' ' ALA . 0.2 OUTLIER -165.41 172.89 11.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.872 ' H ' HD11 ' A' ' 81' ' ' LEU . . . -79.87 174.4 11.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.095 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.82 ' CE2' ' CD2' ' A' ' 17' ' ' PHE . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.491 0.186 . . . . 0.0 110.98 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.461 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -59.9 -29.34 68.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.401 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -54.3 -59.34 4.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.424 ' CG ' ' HD3' ' A' ' 43' ' ' ARG . 4.2 tptp -83.97 -32.84 24.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 1.202 ' O ' ' N ' ' A' ' 19' ' ' TYR . 9.9 m-85 -87.95 29.62 0.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.968 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -35.04 7.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.259 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 1.202 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -64.34 122.21 16.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 111.002 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -100.71 98.06 8.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.677 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.55 -169.55 15.51 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.507 1.129 . . . . 0.0 110.976 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -102.66 92.74 4.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 0.774 . . . . 0.0 110.264 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.842 HG12 HD12 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -65.61 107.93 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -155.11 116.59 4.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.336 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 1.12 HG23 ' CG ' ' A' ' 54' ' ' GLU . 6.4 p -65.82 99.59 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -90.95 -48.15 7.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 1.092 ' CE2' HG13 ' A' ' 55' ' ' VAL . 37.4 p90 -126.51 87.76 2.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.99 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.66 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 74.0 p -72.23 110.51 6.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.999 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.916 ' OG1' ' HB2' ' A' ' 82' ' ' ALA . 2.0 t -85.48 159.73 19.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 110.385 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.796 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 0.5 OUTLIER -102.26 135.6 43.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 109.329 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.686 ' CG1' HD11 ' A' ' 35' ' ' ILE . 1.8 t -75.73 123.04 30.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.778 HG22 ' H ' ' A' ' 34' ' ' SER . 13.6 t -76.68 178.34 6.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.396 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.405 ' HA ' ' HB2' ' A' ' 49' ' ' PRO . 3.8 t -80.94 -14.92 57.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.401 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.778 ' H ' HG22 ' A' ' 32' ' ' THR . 11.0 t -98.08 14.41 27.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.041 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.697 HG21 ' CA ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -69.66 171.96 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.891 HG22 ' CZ3' ' A' ' 40' ' ' TRP . 3.6 t -69.15 116.88 10.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.378 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.63 -27.53 5.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.951 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.44 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -103.4 -48.11 4.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.09 . . . . 0.0 109.326 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.569 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -67.78 124.22 22.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.891 ' CZ3' HG22 ' A' ' 36' ' ' THR . 7.0 m95 -143.75 129.38 19.19 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.418 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -118.58 159.31 14.42 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.546 1.154 . . . . 0.0 111.018 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.5 t -56.14 -35.63 67.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 0.743 . . . . 0.0 110.381 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.673 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 0.0 OUTLIER -96.2 6.76 48.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.418 ' CB ' ' H ' ' A' ' 41' ' ' GLY . 0.4 OUTLIER -104.43 163.13 12.66 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.487 1.117 . . . . 0.0 109.244 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.862 HD12 ' HA3' ' A' ' 74' ' ' GLY . 3.7 tp -98.52 153.82 18.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 0.0 109.342 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.585 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 6.9 tt0 -89.2 31.48 0.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.283 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.772 ' O ' ' CH2' ' A' ' 40' ' ' TRP . 30.3 m -64.5 161.44 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.28 157.51 43.63 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.697 ' CA ' HG21 ' A' ' 35' ' ' ILE . 18.2 Cg_endo -75.02 129.09 12.0 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.537 1.809 . . . . 0.0 110.987 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 32' ' ' THR . . . 100.85 10.94 41.78 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.52 1.138 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.565 ' O ' HG22 ' A' ' 31' ' ' VAL . 4.0 tt0 -105.9 171.31 7.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.431 0.724 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.5 p -126.07 130.07 50.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.032 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.78 HD22 ' CB ' ' A' ' 66' ' ' CYS . 58.4 tp -139.4 163.72 31.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 109.28 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 1.12 ' CG ' HG23 ' A' ' 25' ' ' VAL . 0.6 OUTLIER -78.3 134.08 37.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 110.286 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 1.092 HG13 ' CE2' ' A' ' 27' ' ' TYR . 2.2 t -103.94 130.46 54.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.957 HG21 ' H ' ' A' ' 57' ' ' GLN . 6.0 mt -91.64 -138.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.957 ' H ' HG21 ' A' ' 56' ' ' ILE . 27.7 mm100 -94.91 156.87 16.16 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.558 1.161 . . . . 0.0 110.269 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.624 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 4.4 p -67.7 123.33 20.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.367 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.486 ' OG1' ' CE1' ' A' ' 75' ' ' TYR . 1.3 m -55.11 -75.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.354 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.434 ' CG ' ' N ' ' A' ' 61' ' ' ASP . 5.9 t0 -104.78 -91.63 0.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.252 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.434 ' N ' ' CG ' ' A' ' 60' ' ' ASP . 0.2 OUTLIER -117.43 -57.08 2.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.47 HG21 ' CB ' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -117.47 68.74 0.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 110.406 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.624 ' O ' ' HA ' ' A' ' 58' ' ' THR . 2.5 tppt? -156.06 129.08 8.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.936 HG21 HD12 ' A' ' 81' ' ' LEU . 3.3 m -121.33 126.62 75.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.909 HD23 HD11 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -87.71 122.14 31.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.258 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.78 ' CB ' HD22 ' A' ' 53' ' ' LEU . 4.0 m -92.5 155.12 18.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 108.268 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.756 ' O ' HD13 ' A' ' 53' ' ' LEU . 0.8 OUTLIER -137.21 142.76 42.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.275 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.507 ' N ' ' OD1' ' A' ' 68' ' ' ASN . 0.4 OUTLIER -120.7 149.15 42.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.359 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.443 ' C ' ' H ' ' A' ' 71' ' ' GLY . 0.8 OUTLIER -54.51 -17.01 2.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 110.295 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -59.16 -9.3 1.98 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.443 ' H ' ' C ' ' A' ' 69' ' ' GLU . . . 79.07 20.01 71.13 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.5 1.125 . . . . 0.0 111.025 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.404 ' O ' ' OD1' ' A' ' 68' ' ' ASN . 0.1 OUTLIER -118.72 147.91 43.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 0.753 . . . . 0.0 109.299 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.751 ' HH ' HG23 ' A' ' 23' ' ' ILE . 15.7 m-85 -117.11 157.65 25.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.103 . . . . 0.0 110.997 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.862 ' HA3' HD12 ' A' ' 45' ' ' LEU . . . -157.85 159.8 30.21 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.924 ' CZ ' ' CE2' ' A' ' 17' ' ' PHE . 8.1 m-85 -103.33 153.75 20.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 0.76 . . . . 0.0 111.017 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.645 HG23 ' SG ' ' A' ' 66' ' ' CYS . 4.0 t -143.39 126.58 13.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.469 HD22 ' H ' ' A' ' 78' ' ' ARG . 0.1 OUTLIER -71.74 142.26 49.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.536 ' CZ ' ' O ' ' A' ' 78' ' ' ARG . 0.0 OUTLIER -58.78 -20.36 49.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 110.312 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.474 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 13.1 t -47.43 -57.82 4.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.966 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.736 ' CE1' ' CG2' ' A' ' 36' ' ' THR . 13.7 p90 -115.9 85.07 2.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.988 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.936 HD12 HG21 ' A' ' 64' ' ' VAL . 0.3 OUTLIER -162.68 178.29 8.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.916 ' HB2' ' OG1' ' A' ' 29' ' ' THR . . . -88.27 176.95 7.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 -179.954 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.984 ' CE1' ' CD2' ' A' ' 17' ' ' PHE . 26.2 t80 . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.55 0.214 . . . . 0.0 111.008 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.401 ' O ' ' N ' ' A' ' 18' ' ' LYS . 6.8 ptm180 -60.02 -30.49 69.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.272 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.502 ' CE ' ' HB2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -54.29 -58.1 8.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.502 ' HB2' ' CE ' ' A' ' 15' ' ' LYS . 0.2 OUTLIER -84.67 -34.92 22.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 1.196 ' O ' ' N ' ' A' ' 19' ' ' TYR . 6.3 m-85 -88.38 27.57 1.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.082 . . . . 0.0 110.972 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 14' ' ' ARG . 0.3 OUTLIER -35.59 7.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.318 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 1.196 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -64.05 122.46 16.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.959 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.85 98.31 9.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.733 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -149.44 -169.92 16.41 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -102.59 92.64 4.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 0.756 . . . . 0.0 110.328 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.777 HD12 ' CE2' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -65.63 108.6 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.16 . . . . 0.0 109.266 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.74 144.28 22.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 110.336 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 1.009 HG13 ' HG2' ' A' ' 54' ' ' GLU . 75.2 t -95.57 100.15 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -92.46 -47.43 7.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 1.108 ' CE2' HG13 ' A' ' 55' ' ' VAL . 29.6 p90 -125.88 89.93 3.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.113 . . . . 0.0 111.011 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.663 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 79.5 p -72.03 111.7 7.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.017 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.744 HG23 HD13 ' A' ' 81' ' ' LEU . 1.0 OUTLIER -93.14 160.27 14.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.359 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.847 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 0.6 OUTLIER -101.45 138.94 37.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.429 1.081 . . . . 0.0 109.291 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.642 HG11 ' CB ' ' A' ' 35' ' ' ILE . 1.8 t -70.4 121.12 19.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.821 HG21 ' H ' ' A' ' 34' ' ' SER . 1.3 m -75.65 134.41 40.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.093 . . . . 0.0 110.425 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.549 ' O ' ' HB2' ' A' ' 49' ' ' PRO . 11.1 t -44.8 -16.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 110.428 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.821 ' H ' HG21 ' A' ' 32' ' ' THR . 0.2 OUTLIER -93.56 13.66 21.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.008 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.706 HG21 ' CA ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -71.1 173.29 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.921 HG22 ' CZ3' ' A' ' 40' ' ' TRP . 2.4 t -70.52 121.31 17.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.389 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.41 ' HB2' ' CD ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -118.93 -27.52 5.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.988 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.43 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 0.2 OUTLIER -104.53 -47.37 4.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.29 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.612 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -67.2 123.93 21.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.921 ' CZ3' HG22 ' A' ' 36' ' ' THR . 5.8 m95 -144.06 128.14 17.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 107.97 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -118.62 159.52 14.34 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.7 t -56.7 -36.32 69.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 0.787 . . . . 0.0 110.38 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.661 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 2.1 mtm180 -96.45 7.14 47.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.273 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -104.9 163.12 12.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 1.059 HD22 ' CG1' ' A' ' 47' ' ' VAL . 8.6 tp -97.75 148.13 23.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.547 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 2.5 tt0 -87.48 31.1 0.76 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 1.059 ' CG1' HD22 ' A' ' 45' ' ' LEU . 23.3 m -64.18 161.6 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.33 154.24 43.76 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.137 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.706 ' CA ' HG21 ' A' ' 35' ' ' ILE . 18.2 Cg_endo -75.05 131.02 13.77 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.514 1.797 . . . . 0.0 110.966 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 98.66 9.02 53.79 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.515 1.135 . . . . 0.0 110.993 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.605 ' O ' HG22 ' A' ' 31' ' ' VAL . 0.9 OUTLIER -100.7 171.59 7.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 0.768 . . . . 0.0 110.267 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.0 t -125.91 128.04 46.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.0 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.798 HD13 ' O ' ' A' ' 67' ' ' ARG . 51.7 tp -140.18 164.96 28.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 1.009 ' HG2' HG13 ' A' ' 25' ' ' VAL . 3.4 mt-10 -77.93 136.07 37.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 0.0 110.339 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 1.108 HG13 ' CE2' ' A' ' 27' ' ' TYR . 2.1 t -103.81 130.26 54.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.953 HG21 ' H ' ' A' ' 57' ' ' GLN . 7.9 mt -92.45 -138.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.953 ' H ' HG21 ' A' ' 56' ' ' ILE . 0.4 OUTLIER -95.47 156.56 16.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 110.278 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.602 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 3.4 p -67.55 123.26 19.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.438 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.499 ' HB ' ' CG ' ' A' ' 63' ' ' LYS . 1.1 m -54.81 -75.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.423 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.454 ' N ' HG21 ' A' ' 59' ' ' THR . 4.6 t0 -105.24 -91.33 0.39 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.414 ' N ' ' CG ' ' A' ' 60' ' ' ASP . 49.1 m-20 -117.37 -57.19 2.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.49 HG21 ' CB ' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -117.67 69.16 0.77 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.406 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.602 ' O ' ' HA ' ' A' ' 58' ' ' THR . 2.8 tppt? -156.32 129.48 8.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.678 HG21 HD21 ' A' ' 81' ' ' LEU . 3.2 m -120.96 126.19 74.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.85 ' CD2' HD11 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -89.53 121.69 31.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.752 ' SG ' HG23 ' A' ' 76' ' ' VAL . 31.0 m -92.08 157.03 16.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 108.324 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.798 ' O ' HD13 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -135.79 142.24 44.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.105 . . . . 0.0 110.32 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.482 ' ND2' ' O ' ' A' ' 72' ' ' LYS . 0.3 OUTLIER -120.95 143.69 48.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.78 -14.28 1.35 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 110.32 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.408 ' H ' ' C ' ' A' ' 68' ' ' ASN . 3.2 tp10 -59.6 -11.51 4.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 85.37 17.75 61.83 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.451 1.095 . . . . 0.0 111.028 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.527 ' CD ' HD13 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -124.54 150.34 45.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 0.754 . . . . 0.0 109.311 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.777 ' CE2' HD12 ' A' ' 23' ' ' ILE . 5.4 m-85 -115.97 164.88 13.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.893 ' HA3' HD12 ' A' ' 45' ' ' LEU . . . -157.16 159.24 29.53 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.551 1.157 . . . . 0.0 111.017 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.879 ' CE2' ' CE2' ' A' ' 17' ' ' PHE . 5.3 m-85 -104.95 151.7 23.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 0.762 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.752 HG23 ' SG ' ' A' ' 66' ' ' CYS . 2.1 t -138.15 124.76 26.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.452 HD22 ' H ' ' A' ' 78' ' ' ARG . 0.1 OUTLIER -76.83 142.07 40.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.317 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.49 ' CB ' HG21 ' A' ' 62' ' ' THR . 0.0 OUTLIER -57.35 -22.86 45.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.338 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.433 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 9.3 t -50.63 -59.06 4.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.004 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.753 ' CE1' ' CG2' ' A' ' 36' ' ' THR . 19.5 p90 -117.42 84.33 2.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 111.002 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.884 HD11 ' H ' ' A' ' 82' ' ' ALA . 0.1 OUTLIER -165.7 174.0 10.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.884 ' H ' HD11 ' A' ' 81' ' ' LEU . . . -80.4 173.66 12.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 -179.975 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.844 ' CE2' ' CD2' ' A' ' 17' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.458 0.17 . . . . 0.0 110.986 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.559 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 24.5 ttt180 -59.84 -28.93 67.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.324 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.48 -59.18 5.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 109.331 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.16 -30.81 25.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 1.189 ' O ' ' N ' ' A' ' 19' ' ' TYR . 10.1 m-85 -87.28 29.79 0.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 111.022 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -35.2 7.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.346 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 1.189 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -64.34 121.96 15.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 111.012 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -100.42 98.18 8.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.688 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.8 -170.1 16.21 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.534 1.146 . . . . 0.0 111.045 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -102.72 92.25 4.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 0.758 . . . . 0.0 110.284 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.88 HD12 ' CE2' ' A' ' 73' ' ' TYR . 0.2 OUTLIER -67.52 109.22 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? -153.38 115.28 4.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.293 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.97 HG13 ' HG2' ' A' ' 54' ' ' GLU . 66.2 t -67.27 100.26 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -92.68 -47.33 7.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.355 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 1.081 ' CE2' HG13 ' A' ' 55' ' ' VAL . 36.9 p90 -125.89 89.56 3.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 111.011 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.656 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 15.4 p -72.93 110.27 7.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.014 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.991 HG23 HD23 ' A' ' 81' ' ' LEU . 1.5 t -87.74 158.46 18.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 110.403 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.839 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 0.1 OUTLIER -105.41 137.23 43.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.266 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.689 ' CG1' HD11 ' A' ' 35' ' ' ILE . 1.7 t -72.63 142.09 15.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.667 HG22 ' H ' ' A' ' 34' ' ' SER . 10.5 t -94.36 -179.7 5.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.397 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.418 ' HA ' ' HB2' ' A' ' 49' ' ' PRO . 14.0 t -80.82 -23.75 38.96 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 110.408 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.667 ' H ' HG22 ' A' ' 32' ' ' THR . 24.1 t -91.17 13.6 16.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.996 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.689 HD11 ' CG1' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -70.54 171.97 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.899 HG22 ' CZ3' ' A' ' 40' ' ' TRP . 5.8 t -69.25 116.87 10.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 110.408 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.463 ' HB3' ' HD3' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -118.11 -27.49 6.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.019 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.427 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 0.8 OUTLIER -103.21 -47.25 4.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.534 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -68.13 123.43 20.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.899 ' CZ3' HG22 ' A' ' 36' ' ' THR . 8.3 m95 -143.48 132.26 22.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 108.016 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -117.82 158.37 14.68 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.485 1.115 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.4 m -56.23 -37.18 69.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 0.744 . . . . 0.0 110.407 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.634 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 7.4 mtm180 -96.75 7.25 47.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.333 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -103.69 162.96 12.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.143 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.999 HD22 ' CG1' ' A' ' 47' ' ' VAL . 4.7 tp -96.96 149.03 22.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.495 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 0.2 OUTLIER -88.98 33.6 0.79 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.286 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.999 ' CG1' HD22 ' A' ' 45' ' ' LEU . 22.3 m -62.95 159.69 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.1 157.97 35.6 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.606 ' CA ' HG21 ' A' ' 35' ' ' ILE . 18.2 Cg_endo -74.96 125.91 9.65 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.487 1.782 . . . . 0.0 111.025 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 32' ' ' THR . . . 100.5 11.99 39.71 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.516 1.135 . . . . 0.0 110.972 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.528 ' O ' HG22 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -101.25 172.69 6.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 0.766 . . . . 0.0 110.243 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.38 129.94 43.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 110.019 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.818 HD13 ' O ' ' A' ' 67' ' ' ARG . 45.3 tp -139.94 165.49 27.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.251 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.97 ' HG2' HG13 ' A' ' 25' ' ' VAL . 3.9 mt-10 -78.2 134.32 37.63 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 1.081 HG13 ' CE2' ' A' ' 27' ' ' TYR . 2.2 t -103.82 131.1 53.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.147 . . . . 0.0 109.303 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.957 HG21 ' H ' ' A' ' 57' ' ' GLN . 4.1 mt -93.15 -137.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.957 ' H ' HG21 ' A' ' 56' ' ' ILE . 29.7 mm100 -94.78 156.91 16.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.362 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.624 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 5.8 p -67.61 123.23 19.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.378 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.483 ' HB ' ' HB3' ' A' ' 63' ' ' LYS . 1.2 m -55.34 -74.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 110.401 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.443 ' CG ' ' N ' ' A' ' 61' ' ' ASP . 4.1 t70 -104.71 -91.72 0.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.443 ' N ' ' CG ' ' A' ' 60' ' ' ASP . 1.8 m-20 -117.49 -57.36 2.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.443 ' O ' ' HB3' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -117.68 69.56 0.78 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.398 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.624 ' O ' ' HA ' ' A' ' 58' ' ' THR . 5.5 tttt -157.13 129.21 7.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.44 ' CG2' ' HG ' ' A' ' 81' ' ' LEU . 5.3 m -119.87 126.81 75.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.884 HD11 ' O ' ' A' ' 74' ' ' GLY . 0.2 OUTLIER -88.61 121.86 31.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.789 ' SG ' HG23 ' A' ' 76' ' ' VAL . 32.8 m -91.37 157.21 17.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 108.323 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.818 ' O ' HD13 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -134.52 142.94 47.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 110.289 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.464 ' ND2' ' O ' ' A' ' 72' ' ' LYS . 0.5 OUTLIER -120.47 139.83 52.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.304 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.409 ' C ' ' H ' ' A' ' 71' ' ' GLY . 0.0 OUTLIER -55.53 -13.55 1.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.402 ' H ' ' C ' ' A' ' 68' ' ' ASN . 6.7 tp10 -59.41 -10.24 3.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.303 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.409 ' H ' ' C ' ' A' ' 69' ' ' GLU . . . 87.36 15.67 61.8 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.541 1.151 . . . . 0.0 111.034 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.464 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 0.1 OUTLIER -124.74 155.53 39.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 0.758 . . . . 0.0 109.306 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.88 ' CE2' HD12 ' A' ' 23' ' ' ILE . 6.9 m-85 -118.75 167.21 11.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.975 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.884 ' O ' HD11 ' A' ' 65' ' ' LEU . . . -158.17 157.8 28.62 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.541 1.151 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.899 ' CZ ' ' CE2' ' A' ' 17' ' ' PHE . 2.4 m-85 -104.96 151.79 23.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 0.764 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.789 HG23 ' SG ' ' A' ' 66' ' ' CYS . 2.2 t -139.07 125.65 24.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.164 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.545 HD22 ' H ' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -76.29 144.33 40.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.341 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.545 ' H ' HD22 ' A' ' 77' ' ' LEU . 0.1 OUTLIER -56.15 -22.53 29.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 110.324 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.54 -59.09 4.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.983 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.758 ' CE1' HG23 ' A' ' 36' ' ' THR . 9.8 p90 -117.42 81.06 1.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 111.033 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 1.078 HD12 ' O ' ' A' ' 82' ' ' ALA . 0.7 OUTLIER -163.66 144.68 8.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 1.078 ' O ' HD12 ' A' ' 81' ' ' LEU . . . -54.58 174.23 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -180.0 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.848 ' CE2' ' CD2' ' A' ' 17' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.506 0.194 . . . . 0.0 110.996 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.533 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 0.9 OUTLIER -59.97 -29.89 68.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.489 ' CE ' ' HB2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -54.51 -58.01 9.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.489 ' HB2' ' CE ' ' A' ' 15' ' ' LYS . 5.3 tptt -84.42 -31.87 24.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 1.218 ' O ' ' N ' ' A' ' 19' ' ' TYR . 10.1 m-85 -87.42 30.1 0.82 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.972 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -34.54 6.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 1.218 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -65.21 122.29 16.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.994 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -100.9 97.97 8.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.253 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.675 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.62 -169.67 15.66 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.511 1.132 . . . . 0.0 111.026 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -102.88 92.57 4.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 0.743 . . . . 0.0 110.322 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.933 HG12 HD12 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -67.08 108.47 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -154.78 118.48 4.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.336 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 1.135 HG23 ' CG ' ' A' ' 54' ' ' GLU . 6.6 p -65.62 98.86 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.3 -47.65 7.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 1.022 ' CE2' HG13 ' A' ' 55' ' ' VAL . 39.2 p90 -126.26 88.97 2.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 111.029 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.611 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 54.6 p -73.52 110.35 7.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.026 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 1.103 HG23 HD23 ' A' ' 81' ' ' LEU . 1.6 t -89.35 158.64 17.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.382 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.739 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 1.0 OUTLIER -103.15 137.47 41.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.698 ' CG1' HD11 ' A' ' 35' ' ' ILE . 1.7 t -72.96 146.33 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.15 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 50' ' ' GLY . 9.7 t -95.22 179.22 5.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 110.427 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.2 t -80.67 -25.26 38.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 110.426 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.2 t -91.47 14.34 15.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.976 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.698 HD11 ' CG1' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -70.08 171.98 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.904 HG22 ' CZ3' ' A' ' 40' ' ' TRP . 5.2 t -69.27 117.52 11.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.435 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.02 -27.92 5.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.992 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.424 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 2.4 ptpp? -102.68 -47.56 4.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.58 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -67.79 123.29 20.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.904 ' CZ3' HG22 ' A' ' 36' ' ' THR . 6.9 m95 -143.53 129.71 19.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 107.99 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.4 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -118.86 159.29 14.49 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.518 1.136 . . . . 0.0 110.965 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.2 t -56.38 -36.2 68.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 0.783 . . . . 0.0 110.437 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.64 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 8.6 mtm105 -97.06 7.51 46.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 110.305 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.4 ' CB ' ' H ' ' A' ' 41' ' ' GLY . 0.4 OUTLIER -104.02 163.15 12.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.931 HD22 ' CG1' ' A' ' 47' ' ' VAL . 6.6 tp -97.12 148.71 22.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.567 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 4.7 tt0 -88.21 31.38 0.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.313 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.931 ' CG1' HD22 ' A' ' 45' ' ' LEU . 34.2 m -64.27 160.29 3.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -111.79 158.55 36.31 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.269 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.631 ' CA ' HG21 ' A' ' 35' ' ' ILE . 18.4 Cg_endo -74.95 123.94 8.28 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.545 1.813 . . . . 0.0 111.024 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 32' ' ' THR . . . 100.79 14.6 31.3 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.477 1.111 . . . . 0.0 111.006 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.61 ' O ' HG22 ' A' ' 31' ' ' VAL . 0.9 OUTLIER -105.64 171.14 7.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 0.753 . . . . 0.0 110.265 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.4 p -131.99 129.44 40.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.024 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 1.019 HD23 ' CB ' ' A' ' 66' ' ' CYS . 0.0 OUTLIER -140.99 170.05 16.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 1.135 ' CG ' HG23 ' A' ' 25' ' ' VAL . 0.7 OUTLIER -77.61 134.82 38.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.325 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 1.022 HG13 ' CE2' ' A' ' 27' ' ' TYR . 2.1 t -106.27 134.4 47.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.982 HG21 ' H ' ' A' ' 57' ' ' GLN . 6.9 mt -92.72 -140.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.982 ' H ' HG21 ' A' ' 56' ' ' ILE . 25.8 mm-40 -96.98 158.2 15.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.142 . . . . 0.0 110.286 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.58 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 7.9 p -67.91 128.85 38.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.408 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.498 ' HB ' ' CG ' ' A' ' 63' ' ' LYS . 1.2 m -61.21 -75.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.407 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.427 ' CG ' ' N ' ' A' ' 61' ' ' ASP . 4.7 t0 -105.42 -92.64 0.37 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.427 ' N ' ' CG ' ' A' ' 60' ' ' ASP . 0.9 OUTLIER -117.64 -56.58 2.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.844 HG21 ' CB ' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -115.38 67.76 0.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 110.436 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.58 ' O ' ' HA ' ' A' ' 58' ' ' THR . 0.0 OUTLIER -157.9 130.15 7.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.33 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.496 ' CG2' ' HG ' ' A' ' 81' ' ' LEU . 17.2 m -124.2 124.75 69.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.779 HD11 ' O ' ' A' ' 74' ' ' GLY . 0.1 OUTLIER -90.11 121.22 31.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.332 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 1.019 ' CB ' HD23 ' A' ' 53' ' ' LEU . 4.9 m -98.93 160.94 13.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 108.303 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.694 ' HG3' ' CD2' ' A' ' 73' ' ' TYR . 0.9 OUTLIER -134.62 144.44 47.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 72' ' ' LYS . 0.2 OUTLIER -119.44 143.46 47.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.33 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.15 -14.5 1.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 110.258 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.41 ' N ' ' C ' ' A' ' 68' ' ' ASN . 2.4 tp10 -59.47 -11.97 5.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.253 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.55 21.04 58.94 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.455 1.097 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.457 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 0.0 OUTLIER -124.59 148.9 47.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 0.736 . . . . 0.0 109.311 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.817 ' CE2' HD12 ' A' ' 23' ' ' ILE . 27.7 m-85 -115.32 156.87 24.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.981 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.779 ' O ' HD11 ' A' ' 65' ' ' LEU . . . -157.45 160.05 30.26 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.48 1.113 . . . . 0.0 111.019 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.902 ' CZ ' ' CE2' ' A' ' 17' ' ' PHE . 8.4 m-85 -102.95 153.13 20.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 0.771 . . . . 0.0 110.977 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.791 HG23 ' SG ' ' A' ' 66' ' ' CYS . 1.8 t -133.93 124.12 46.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.464 HD22 ' H ' ' A' ' 78' ' ' ARG . 0.1 OUTLIER -74.1 141.87 45.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.844 ' CB ' HG21 ' A' ' 62' ' ' THR . 0.0 OUTLIER -56.55 -22.05 30.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 0.0 110.28 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.6 t -49.91 -59.44 3.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 110.028 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.725 ' CE1' HG23 ' A' ' 36' ' ' THR . 9.0 p90 -117.38 80.58 1.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 110.982 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 1.103 HD23 HG23 ' A' ' 29' ' ' THR . 0.5 OUTLIER -164.52 141.77 6.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 1.098 ' N ' HD21 ' A' ' 81' ' ' LEU . . . -55.08 174.53 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.997 ' CE1' ' CD2' ' A' ' 17' ' ' PHE . 18.5 t80 . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.541 0.21 . . . . 0.0 111.042 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.429 ' HG2' ' N ' ' A' ' 15' ' ' LYS . 2.4 ptm180 -59.29 -30.82 68.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.347 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.477 ' HZ1' ' HB2' ' A' ' 16' ' ' LYS . 0.2 OUTLIER -54.11 -58.2 8.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.477 ' HB2' ' HZ1' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -84.47 -33.76 23.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 1.184 ' O ' ' N ' ' A' ' 19' ' ' TYR . 15.1 m-85 -87.85 27.37 1.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -35.52 7.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 1.184 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -64.24 121.22 13.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 111.014 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -100.31 97.89 8.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.681 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -147.92 -170.32 15.85 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.528 1.142 . . . . 0.0 111.03 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -99.79 92.41 5.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 0.758 . . . . 0.0 110.277 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.936 HD12 ' CE2' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -68.85 107.98 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.308 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.19 121.51 5.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.345 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 1.083 HG23 ' CG ' ' A' ' 54' ' ' GLU . 6.0 p -67.26 100.79 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.35 -49.95 6.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 1.084 ' CE2' HG13 ' A' ' 55' ' ' VAL . 34.6 p90 -127.44 88.31 2.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.648 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 59.4 p -73.7 110.92 8.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.987 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.753 ' OG1' ' HB2' ' A' ' 82' ' ' ALA . 1.8 t -88.15 161.49 17.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 110.427 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.544 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 0.5 OUTLIER -101.32 137.4 39.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.732 HG22 ' O ' ' A' ' 51' ' ' GLU . 1.9 t -73.12 134.04 30.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.815 HG21 ' H ' ' A' ' 34' ' ' SER . 1.3 m -84.53 135.24 34.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.108 . . . . 0.0 110.378 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.521 ' O ' ' HB2' ' A' ' 49' ' ' PRO . 12.8 t -47.39 -11.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.098 . . . . 0.0 110.364 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.815 ' H ' HG21 ' A' ' 32' ' ' THR . 1.1 p -103.51 15.77 28.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.972 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.774 HG21 ' CA ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -69.88 175.47 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.303 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.908 HG22 ' CZ3' ' A' ' 40' ' ' TRP . 4.2 t -69.28 118.99 12.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.368 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.412 ' HB3' ' CD ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -117.91 -26.57 6.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.02 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.438 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 2.0 ptmm? -103.91 -47.84 4.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.547 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -67.71 123.9 21.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.908 ' CZ3' HG22 ' A' ' 36' ' ' THR . 7.2 m95 -144.23 129.37 18.65 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.406 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -117.55 158.94 14.34 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.512 1.132 . . . . 0.0 110.983 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.2 m -56.07 -35.62 67.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 0.778 . . . . 0.0 110.388 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.707 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 29.0 mtm180 -95.68 5.36 51.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 110.273 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.406 ' CB ' ' H ' ' A' ' 41' ' ' GLY . 0.4 OUTLIER -103.58 161.83 13.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.867 HD22 ' CG1' ' A' ' 47' ' ' VAL . 7.3 tp -97.63 152.35 19.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.262 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.581 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 6.7 tt0 -87.6 31.53 0.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.308 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.867 ' CG1' HD22 ' A' ' 45' ' ' LEU . 35.0 m -63.91 159.8 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.02 155.41 41.74 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.774 ' CA ' HG21 ' A' ' 35' ' ' ILE . 18.2 Cg_endo -75.01 128.96 11.89 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.519 1.799 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 98.22 11.06 50.07 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.501 1.125 . . . . 0.0 110.978 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.732 ' O ' HG22 ' A' ' 31' ' ' VAL . 0.5 OUTLIER -103.58 172.48 6.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 0.763 . . . . 0.0 110.327 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.43 ' HB3' ' CG ' ' A' ' 30' ' ' LYS . 0.9 OUTLIER -124.88 129.59 50.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.983 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.802 HD13 ' O ' ' A' ' 67' ' ' ARG . 31.2 tp -139.36 164.51 29.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.082 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 1.083 ' CG ' HG23 ' A' ' 25' ' ' VAL . 0.7 OUTLIER -78.39 132.0 37.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.315 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 1.084 HG13 ' CE2' ' A' ' 27' ' ' TYR . 2.3 t -102.69 129.09 54.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.951 HG21 ' H ' ' A' ' 57' ' ' GLN . 4.3 mt -92.33 -138.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.951 ' H ' HG21 ' A' ' 56' ' ' ILE . 19.7 mm-40 -94.36 157.24 16.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.27 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.679 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 8.3 p -67.67 123.75 21.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 110.423 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.555 ' OG1' ' CE1' ' A' ' 75' ' ' TYR . 1.3 m -54.96 -74.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.375 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -104.58 -91.17 0.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -117.27 -57.57 2.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.56 HG23 ' CD ' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -117.53 69.13 0.76 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 110.359 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.679 ' O ' ' HA ' ' A' ' 58' ' ' THR . 0.1 OUTLIER -157.35 129.76 7.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.913 HG21 HD12 ' A' ' 81' ' ' LEU . 3.6 m -120.57 128.26 76.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.895 HD23 HD11 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -87.48 124.52 33.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.368 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.731 ' SG ' HG23 ' A' ' 76' ' ' VAL . 14.0 m -89.56 158.49 17.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 108.309 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.802 ' O ' HD13 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -134.43 146.94 50.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.267 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.628 ' OD1' HD23 ' A' ' 45' ' ' LEU . 6.4 m120 -113.17 139.89 48.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -53.93 -18.65 3.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 110.329 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -79.46 -4.54 51.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 88.51 17.78 56.31 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.549 1.156 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.458 ' HE3' HD13 ' A' ' 45' ' ' LEU . 14.7 ttpt -96.4 124.69 40.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.765 . . . . 0.0 109.272 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.936 ' CE2' HD12 ' A' ' 23' ' ' ILE . 12.4 m-85 -111.89 151.6 28.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 111.008 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.549 ' HA3' HD12 ' A' ' 45' ' ' LEU . . . -159.37 161.76 32.35 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.529 1.143 . . . . 0.0 110.973 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.921 ' CZ ' ' CE2' ' A' ' 17' ' ' PHE . 10.1 m-85 -101.26 154.19 18.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.76 . . . . 0.0 111.006 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.731 HG23 ' SG ' ' A' ' 66' ' ' CYS . 4.0 t -143.11 126.42 13.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.462 HD22 ' H ' ' A' ' 78' ' ' ARG . 0.1 OUTLIER -72.84 142.03 47.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.335 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.56 ' CD ' HG23 ' A' ' 62' ' ' THR . 0.0 OUTLIER -57.31 -19.42 22.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.331 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.43 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 21.8 t -47.03 -58.24 4.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.104 . . . . 0.0 110.031 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.664 ' CE1' HG23 ' A' ' 36' ' ' THR . 7.5 p90 -116.56 84.22 2.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 111.009 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.913 HD12 HG21 ' A' ' 64' ' ' VAL . 0.3 OUTLIER -162.98 176.58 9.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.803 ' H ' HD22 ' A' ' 81' ' ' LEU . . . -89.87 173.97 7.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.982 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.846 ' CE2' ' CD2' ' A' ' 17' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.516 0.198 . . . . 0.0 111.006 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.565 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 7.9 ttt180 -58.27 -36.99 74.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.315 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.412 ' HD3' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -51.78 -57.41 9.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.317 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.412 ' N ' ' HD3' ' A' ' 15' ' ' LYS . 1.2 tptp -82.37 -35.48 27.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 1.19 ' O ' ' N ' ' A' ' 19' ' ' TYR . 9.2 m-85 -87.41 30.59 0.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -35.57 8.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.256 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 1.19 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -63.26 122.01 15.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -100.31 98.16 8.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.258 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.689 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.31 -169.82 15.63 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.496 1.122 . . . . 0.0 110.976 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -102.26 92.26 4.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 0.781 . . . . 0.0 110.315 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.947 HD12 ' CE2' ' A' ' 73' ' ' TYR . 0.4 OUTLIER -69.98 109.14 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.352 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.14 131.67 12.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.314 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.484 ' O ' HG12 ' A' ' 25' ' ' VAL . 7.6 p -74.16 98.12 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.65 -49.2 6.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 1.123 ' CE2' HG13 ' A' ' 55' ' ' VAL . 27.7 p90 -130.64 87.96 2.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 0.0 111.054 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.526 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 38.6 p -71.2 110.99 6.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.97 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.744 HG21 ' CG2' ' A' ' 55' ' ' VAL . 1.2 t -92.13 161.18 14.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.394 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.807 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -101.1 138.74 37.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.165 . . . . 0.0 109.319 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.647 HG22 ' O ' ' A' ' 51' ' ' GLU . 2.1 t -70.52 120.3 18.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.767 HG21 ' H ' ' A' ' 34' ' ' SER . 1.2 m -75.53 133.34 41.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.43 1.081 . . . . 0.0 110.351 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.553 ' O ' ' HB2' ' A' ' 49' ' ' PRO . 14.2 t -43.07 -20.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 110.428 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.767 ' H ' HG21 ' A' ' 32' ' ' THR . 0.2 OUTLIER -89.69 13.77 13.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.984 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.682 ' N ' ' O ' ' A' ' 32' ' ' THR . 0.0 OUTLIER -71.32 173.55 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.102 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.909 HG22 ' CZ3' ' A' ' 40' ' ' TRP . 2.4 t -70.77 120.25 16.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.404 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.68 -27.62 5.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 110.021 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.434 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -104.42 -47.81 4.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.259 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.568 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -67.35 124.97 24.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.909 ' CZ3' HG22 ' A' ' 36' ' ' THR . 6.5 m95 -144.58 129.61 18.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 108.026 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -118.6 159.68 14.28 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.502 1.126 . . . . 0.0 110.991 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.4 t -56.81 -35.81 69.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 0.745 . . . . 0.0 110.349 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.656 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 9.2 mtm180 -96.49 6.83 47.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.81 162.74 12.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.34 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.89 HD12 ' HA3' ' A' ' 74' ' ' GLY . 6.1 tp -97.7 151.27 20.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.603 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 5.5 tt0 -88.07 31.24 0.8 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.764 ' O ' ' CH2' ' A' ' 40' ' ' TRP . 19.3 m -64.19 159.97 3.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -111.87 155.61 42.97 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 109.357 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.665 ' CA ' HG21 ' A' ' 35' ' ' ILE . 18.3 Cg_endo -75.0 130.19 13.04 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.463 1.77 . . . . 0.0 110.984 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.06 11.78 44.85 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.647 ' O ' HG22 ' A' ' 31' ' ' VAL . 1.2 mt-10 -105.06 172.15 6.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 0.751 . . . . 0.0 110.283 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.1 t -125.4 130.3 51.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 110.033 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.771 HD13 ' O ' ' A' ' 67' ' ' ARG . 28.9 tp -139.47 166.71 23.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.572 ' O ' ' HA ' ' A' ' 66' ' ' CYS . 0.9 OUTLIER -78.2 132.47 37.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.278 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 1.123 HG13 ' CE2' ' A' ' 27' ' ' TYR . 2.2 t -102.68 126.58 56.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.944 HG21 ' H ' ' A' ' 57' ' ' GLN . 4.6 mt -91.4 -138.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.944 ' H ' HG21 ' A' ' 56' ' ' ILE . 29.1 mm100 -94.87 156.85 16.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.291 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.651 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 6.5 p -67.82 122.8 18.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.385 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.468 ' HB ' ' HB3' ' A' ' 63' ' ' LYS . 1.1 m -54.53 -74.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.434 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.459 ' N ' HG21 ' A' ' 59' ' ' THR . 1.0 OUTLIER -104.76 -91.45 0.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.095 . . . . 0.0 109.29 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -118.09 -56.82 2.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.606 HG21 ' CB ' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -117.92 69.82 0.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.404 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.66 ' HZ1' ' N ' ' A' ' 77' ' ' LEU . 4.0 tttt -157.34 130.49 7.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.697 HG21 HD21 ' A' ' 81' ' ' LEU . 3.9 m -121.09 127.77 75.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.923 HD11 ' O ' ' A' ' 74' ' ' GLY . 0.7 OUTLIER -88.79 122.44 32.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.343 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.769 ' SG ' HG23 ' A' ' 76' ' ' VAL . 30.4 m -91.79 156.69 17.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 108.269 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.771 ' O ' HD13 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -134.98 142.44 46.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.292 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.476 ' ND2' ' O ' ' A' ' 72' ' ' LYS . 0.3 OUTLIER -120.7 141.72 50.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.339 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -56.43 -13.11 2.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.336 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.405 ' H ' ' C ' ' A' ' 68' ' ' ASN . 3.7 tt0 -60.57 -9.52 3.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.281 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.4 14.02 66.92 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.499 1.125 . . . . 0.0 111.028 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.476 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 2.1 ttpm? -122.46 156.62 33.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 0.778 . . . . 0.0 109.322 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.947 ' CE2' HD12 ' A' ' 23' ' ' ILE . 7.0 m-85 -119.82 167.64 11.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 110.99 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.923 ' O ' HD11 ' A' ' 65' ' ' LEU . . . -157.34 158.61 29.08 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.501 1.126 . . . . 0.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.887 ' CZ ' ' CE2' ' A' ' 17' ' ' PHE . 2.0 m-85 -105.44 153.78 21.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 0.776 . . . . 0.0 110.956 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.769 HG23 ' SG ' ' A' ' 66' ' ' CYS . 2.3 t -142.52 125.92 14.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.66 ' N ' ' HZ1' ' A' ' 63' ' ' LYS . 0.2 OUTLIER -79.55 144.16 34.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.293 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.606 ' CB ' HG21 ' A' ' 62' ' ' THR . 0.0 OUTLIER -57.51 -21.98 41.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 110.266 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.451 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 14.6 t -50.44 -59.29 4.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 110.011 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.749 ' CE1' ' CG2' ' A' ' 36' ' ' THR . 21.2 p90 -117.42 83.99 2.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.967 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.857 HD11 ' H ' ' A' ' 82' ' ' ALA . 0.1 OUTLIER -166.42 173.3 10.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.576 1.173 . . . . 0.0 109.285 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.857 ' H ' HD11 ' A' ' 81' ' ' LEU . . . -76.42 174.11 10.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.934 ' CE2' ' CD2' ' A' ' 17' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.491 0.186 . . . . 0.0 111.047 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.491 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 0.8 OUTLIER -59.27 -29.76 67.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.338 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.33 -60.23 3.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.464 ' HG2' ' CD ' ' A' ' 43' ' ' ARG . 19.9 tptt -82.73 -33.7 27.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.26 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 1.213 ' O ' ' N ' ' A' ' 19' ' ' TYR . 12.3 m-85 -88.98 27.98 1.26 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -34.96 6.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.348 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 1.213 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -64.75 122.76 17.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.975 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -101.64 97.97 8.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.147 . . . . 0.0 109.295 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.685 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.83 -170.02 16.15 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.43 1.081 . . . . 0.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -100.82 92.81 5.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 0.801 . . . . 0.0 110.335 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.836 HG12 HD12 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -65.72 107.32 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.418 ' O ' ' HG3' ' A' ' 24' ' ' ARG . 16.6 ptm180 -154.43 125.63 7.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.322 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 1.125 HG23 ' CG ' ' A' ' 54' ' ' GLU . 4.2 p -73.1 99.03 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.13 -47.89 7.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 1.099 ' CE2' HG13 ' A' ' 55' ' ' VAL . 33.2 p90 -126.79 87.52 2.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.629 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 86.0 p -71.91 111.26 7.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 110.032 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 1.029 HG23 HD23 ' A' ' 81' ' ' LEU . 1.8 t -89.47 158.39 17.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 110.359 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.879 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 0.4 OUTLIER -103.67 137.01 42.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.329 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.687 ' CG1' HD11 ' A' ' 35' ' ' ILE . 1.8 t -73.64 145.48 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.875 HG22 ' H ' ' A' ' 34' ' ' SER . 2.4 t -94.82 178.55 5.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 110.419 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.413 ' HA ' ' HB2' ' A' ' 49' ' ' PRO . 6.8 t -80.26 -24.55 40.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.386 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.875 ' H ' HG22 ' A' ' 32' ' ' THR . 20.6 t -91.75 14.48 15.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.046 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.687 HD11 ' CG1' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -70.23 172.21 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.905 HG22 ' CZ3' ' A' ' 40' ' ' TRP . 5.0 t -69.2 117.41 10.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.431 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.13 -28.33 5.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.977 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.424 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 13.6 pttp -103.53 -47.26 4.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.243 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.549 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -67.57 123.63 20.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.905 ' CZ3' HG22 ' A' ' 36' ' ' THR . 7.6 m95 -143.81 130.29 20.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 108.005 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.419 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -118.25 159.69 14.18 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.534 1.146 . . . . 0.0 110.987 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -56.51 -35.7 68.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 0.784 . . . . 0.0 110.385 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.633 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 6.0 mtm180 -96.79 7.23 47.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.419 ' CB ' ' H ' ' A' ' 41' ' ' GLY . 0.5 OUTLIER -104.43 162.06 13.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.863 HD22 ' CG1' ' A' ' 47' ' ' VAL . 4.2 tp -97.08 152.38 18.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.568 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 5.5 tt0 -88.74 31.59 0.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 110.352 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.863 ' CG1' HD22 ' A' ' 45' ' ' LEU . 27.1 m -64.0 161.3 2.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.69 158.26 39.35 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.645 ' CA ' HG21 ' A' ' 35' ' ' ILE . 18.3 Cg_endo -75.0 125.03 9.06 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.501 1.79 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 32' ' ' THR . . . 100.42 13.01 36.84 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.552 1.158 . . . . 0.0 110.997 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.602 ' O ' HG22 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -104.65 171.96 7.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 0.778 . . . . 0.0 110.339 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.22 129.74 43.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.013 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.787 HD13 ' O ' ' A' ' 67' ' ' ARG . 62.0 tp -139.97 166.07 25.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.352 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 1.125 ' CG ' HG23 ' A' ' 25' ' ' VAL . 0.8 OUTLIER -77.4 133.13 38.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 1.099 HG13 ' CE2' ' A' ' 27' ' ' TYR . 2.1 t -102.94 130.62 52.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.947 HG21 ' H ' ' A' ' 57' ' ' GLN . 5.3 mt -92.26 -137.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.947 ' H ' HG21 ' A' ' 56' ' ' ILE . 20.0 mm100 -94.61 157.01 16.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.362 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.615 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 3.1 p -67.41 122.92 19.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 110.432 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.642 ' OG1' ' CE1' ' A' ' 75' ' ' TYR . 1.4 m -54.78 -74.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.428 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.417 ' CG ' ' N ' ' A' ' 61' ' ' ASP . 5.8 t70 -104.9 -91.68 0.38 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.417 ' N ' ' CG ' ' A' ' 60' ' ' ASP . 42.2 m-20 -118.08 -56.77 2.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.665 HG21 ' CB ' ' A' ' 78' ' ' ARG . 0.6 OUTLIER -117.53 69.52 0.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.405 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.615 ' O ' ' HA ' ' A' ' 58' ' ' THR . 0.6 OUTLIER -158.23 129.78 6.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.269 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.521 HG21 ' HG ' ' A' ' 81' ' ' LEU . 3.8 m -120.82 126.84 75.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.86 HD23 HD11 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -88.72 121.72 31.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.873 ' SG ' HG23 ' A' ' 76' ' ' VAL . 35.6 m -93.71 155.39 17.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 108.263 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.787 ' O ' HD13 ' A' ' 53' ' ' LEU . 0.7 OUTLIER -136.27 143.25 44.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 110.334 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 72' ' ' LYS . 0.1 OUTLIER -120.22 145.95 46.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.94 -15.46 1.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 110.317 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.405 ' N ' ' C ' ' A' ' 68' ' ' ASN . 7.5 tp10 -59.48 -11.55 4.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 110.331 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 82.0 26.82 47.72 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.667 ' HZ2' ' HB3' ' A' ' 72' ' ' LYS . 2.1 ttpm? -124.08 146.47 48.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 0.753 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.73 ' HH ' HG23 ' A' ' 23' ' ' ILE . 35.8 m-85 -119.06 153.8 34.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.967 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.809 ' O ' HD11 ' A' ' 65' ' ' LEU . . . -158.2 161.6 31.72 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.889 ' CZ ' ' CE2' ' A' ' 17' ' ' PHE . 11.9 m-85 -102.96 153.64 20.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 0.752 . . . . 0.0 110.993 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.873 HG23 ' SG ' ' A' ' 66' ' ' CYS . 2.2 t -133.32 126.38 52.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.476 HD22 ' H ' ' A' ' 78' ' ' ARG . 0.1 OUTLIER -75.8 142.74 42.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.337 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.665 ' CB ' HG21 ' A' ' 62' ' ' THR . 0.0 OUTLIER -57.24 -22.89 44.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.27 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 17.6 t -48.94 -59.06 3.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.988 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.695 ' CE1' HG23 ' A' ' 36' ' ' THR . 6.4 p90 -117.9 80.3 1.49 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 111.013 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 1.069 HD12 ' O ' ' A' ' 82' ' ' ALA . 0.8 OUTLIER -163.23 143.74 9.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 109.344 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 1.069 ' O ' HD12 ' A' ' 81' ' ' LEU . . . -55.45 174.8 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.944 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.858 ' CE2' ' CD2' ' A' ' 17' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.481 0.182 . . . . 0.0 110.994 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.52 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 13.7 ttt180 -59.63 -28.47 67.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.426 ' CE ' ' HB2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -54.78 -59.07 5.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.265 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.426 ' HB2' ' CE ' ' A' ' 15' ' ' LYS . 1.3 tptt -84.61 -31.16 24.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 1.201 ' O ' ' N ' ' A' ' 19' ' ' TYR . 13.5 m-85 -86.93 29.56 0.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.981 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -34.87 7.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 1.201 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -65.3 121.87 15.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.972 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -100.12 98.09 8.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.689 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.68 -169.89 15.93 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.548 1.155 . . . . 0.0 111.021 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -103.19 92.37 4.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 0.788 . . . . 0.0 110.287 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.846 HG12 HD12 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -66.97 108.4 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.66 115.58 3.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.341 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.947 HG13 ' HG2' ' A' ' 54' ' ' GLU . 65.2 t -66.33 99.88 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.336 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.85 -47.31 7.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 1.067 ' CE2' HG13 ' A' ' 55' ' ' VAL . 38.4 p90 -125.84 89.79 3.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.987 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.64 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 14.4 t -74.38 110.52 8.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.011 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.899 HG23 HD23 ' A' ' 81' ' ' LEU . 1.4 t -90.49 159.95 16.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.398 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.779 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 4.3 mtmp? -103.15 137.76 40.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.667 ' CG1' HD11 ' A' ' 35' ' ' ILE . 1.8 t -71.09 144.32 13.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.617 HG22 ' H ' ' A' ' 34' ' ' SER . 8.0 t -94.14 179.33 5.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.449 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.8 t -80.53 -25.29 38.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 110.418 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.617 ' H ' HG22 ' A' ' 32' ' ' THR . 19.2 t -90.18 14.02 13.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.043 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.667 HD11 ' CG1' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -70.35 171.7 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.284 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.891 HG22 ' CZ3' ' A' ' 40' ' ' TRP . 4.3 t -69.12 117.59 10.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 110.429 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.85 -27.88 5.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 109.993 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.428 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 0.2 OUTLIER -103.39 -47.44 4.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.579 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -67.7 123.59 20.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.891 ' CZ3' HG22 ' A' ' 36' ' ' THR . 6.9 m95 -143.67 129.4 19.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 108.002 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.407 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -118.77 159.37 14.44 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.521 1.138 . . . . 0.0 110.95 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -56.41 -35.87 68.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 0.75 . . . . 0.0 110.402 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.655 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 10.0 mtm180 -96.78 7.08 47.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.443 1.089 . . . . 0.0 110.311 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.407 ' CB ' ' H ' ' A' ' 41' ' ' GLY . 0.4 OUTLIER -104.08 163.1 12.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 1.019 HD22 ' CG1' ' A' ' 47' ' ' VAL . 5.4 tp -97.34 150.49 20.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.6 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 5.4 tt0 -88.46 31.38 0.83 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 110.289 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 1.019 ' CG1' HD22 ' A' ' 45' ' ' LEU . 34.3 m -64.02 160.46 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.36 157.96 38.58 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.646 ' CA ' HG21 ' A' ' 35' ' ' ILE . 18.4 Cg_endo -75.02 124.77 8.86 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.486 1.782 . . . . 0.0 111.03 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 32' ' ' THR . . . 100.82 13.37 34.62 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.485 1.116 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.566 ' O ' HG22 ' A' ' 31' ' ' VAL . 0.5 OUTLIER -104.93 171.85 7.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 0.789 . . . . 0.0 110.286 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.21 130.07 48.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.989 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.763 HD13 ' O ' ' A' ' 67' ' ' ARG . 61.7 tp -140.25 165.8 26.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.947 ' HG2' HG13 ' A' ' 25' ' ' VAL . 3.5 mt-10 -77.73 134.37 38.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 1.067 HG13 ' CE2' ' A' ' 27' ' ' TYR . 2.2 t -104.16 130.16 55.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.942 HG21 ' H ' ' A' ' 57' ' ' GLN . 12.5 mt -91.92 -137.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.942 ' H ' HG21 ' A' ' 56' ' ' ILE . 11.6 tt0 -95.15 156.92 16.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.313 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.585 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 3.1 p -67.66 124.67 23.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 110.383 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.494 ' HB ' ' HB3' ' A' ' 63' ' ' LYS . 1.4 m -56.08 -74.88 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.538 1.148 . . . . 0.0 110.428 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -105.61 -91.52 0.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -117.98 -56.97 2.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.529 HG21 ' CB ' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -116.96 69.09 0.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.413 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.585 ' O ' ' HA ' ' A' ' 58' ' ' THR . 0.0 OUTLIER -158.13 129.69 6.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.277 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.515 HG21 ' HG ' ' A' ' 81' ' ' LEU . 3.8 m -121.59 126.21 74.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.358 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.875 HD11 ' O ' ' A' ' 74' ' ' GLY . 0.1 OUTLIER -89.49 121.25 31.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.791 ' SG ' HG23 ' A' ' 76' ' ' VAL . 34.6 m -90.14 158.6 17.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 108.299 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.763 ' O ' HD13 ' A' ' 53' ' ' LEU . 6.6 ttm180 -134.36 142.91 47.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.334 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.469 ' C ' ' H ' ' A' ' 70' ' ' GLU . 0.5 OUTLIER -121.03 142.51 49.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.347 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -57.3 -10.01 1.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 110.251 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.469 ' H ' ' C ' ' A' ' 68' ' ' ASN . 3.5 tp10 -61.06 -9.32 4.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 110.343 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 85.82 14.32 67.75 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.498 1.124 . . . . 0.0 111.032 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.94 156.95 37.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 0.789 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.829 ' CE2' HD12 ' A' ' 23' ' ' ILE . 4.5 m-85 -119.56 166.23 13.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 111.023 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.875 ' O ' HD11 ' A' ' 65' ' ' LEU . . . -157.75 158.7 29.29 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.525 1.141 . . . . 0.0 111.004 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.893 ' CZ ' ' CE2' ' A' ' 17' ' ' PHE . 4.5 m-85 -104.31 154.53 19.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 0.77 . . . . 0.0 110.985 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.791 HG23 ' SG ' ' A' ' 66' ' ' CYS . 2.2 t -140.16 125.52 20.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.498 HD22 ' H ' ' A' ' 78' ' ' ARG . 0.1 OUTLIER -77.02 143.85 39.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.529 ' CB ' HG21 ' A' ' 62' ' ' THR . 0.0 OUTLIER -56.99 -23.13 43.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.289 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.63 -59.68 3.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.987 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.737 ' CE1' HG23 ' A' ' 36' ' ' THR . 18.6 p90 -117.98 79.93 1.44 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 110.971 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 1.186 HD21 ' N ' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -165.25 140.46 5.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 1.186 ' N ' HD21 ' A' ' 81' ' ' LEU . . . -53.96 171.28 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.238 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.433 0 O-C-N 124.45 1.094 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.792 ' O ' ' HB2' ' A' ' 17' ' ' PHE . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.477 0.179 . . . . 0.0 111.001 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.437 ' N ' ' CD2' ' A' ' 13' ' ' PHE . 4.1 ttt-85 -60.24 -28.31 67.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.308 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.51 -59.45 4.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.512 ' CG ' ' HD3' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -84.16 -32.6 24.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 1.2 ' O ' ' N ' ' A' ' 19' ' ' TYR . 10.5 m-85 -87.67 29.04 0.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -34.95 6.95 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 1.2 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -64.6 121.41 14.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 179.944 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -99.51 97.82 8.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.692 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.61 -169.75 15.74 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.454 1.096 . . . . 0.0 111.002 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -102.92 92.67 4.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 0.761 . . . . 0.0 110.272 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.864 HD12 ' CE2' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -67.19 108.54 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.336 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.403 ' CD ' ' O ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -154.34 116.54 4.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.163 . . . . 0.0 110.276 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.862 HG23 ' CG ' ' A' ' 54' ' ' GLU . 7.5 p -65.1 99.01 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -90.9 -48.36 7.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 1.153 ' CE2' HG13 ' A' ' 55' ' ' VAL . 34.5 p90 -127.65 84.93 2.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 110.973 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.689 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 12.2 p -72.77 110.67 7.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.992 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.762 HG21 ' CG2' ' A' ' 55' ' ' VAL . 3.1 t -85.33 161.24 19.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.368 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.94 136.61 40.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.631 ' CG1' HG23 ' A' ' 35' ' ' ILE . 1.6 t -73.66 119.15 20.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.73 HG22 ' H ' ' A' ' 34' ' ' SER . 12.1 t -77.91 178.87 7.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.437 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.454 ' HA ' ' HB2' ' A' ' 49' ' ' PRO . 1.3 t -80.04 -11.37 59.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 110.399 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.73 ' H ' HG22 ' A' ' 32' ' ' THR . 1.2 t -99.48 13.25 33.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 109.998 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.683 HG21 ' CA ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -70.78 171.58 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.881 ' O ' ' CH2' ' A' ' 40' ' ' TRP . 1.7 t -69.88 117.38 11.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 110.382 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -119.24 -28.09 5.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.954 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.438 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -103.36 -48.58 3.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.551 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -68.19 124.24 22.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 109.337 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.881 ' CH2' ' O ' ' A' ' 36' ' ' THR . 7.3 m95 -143.87 132.23 22.07 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.015 -1.105 . . . . 0.0 108.015 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -119.45 158.63 15.0 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.502 1.126 . . . . 0.0 111.041 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.7 t -56.33 -35.7 67.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 0.784 . . . . 0.0 110.419 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.627 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 8.1 mtm180 -97.43 7.21 46.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.326 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -103.34 163.76 12.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.893 HD12 ' HA3' ' A' ' 74' ' ' GLY . 4.7 tp -97.45 151.87 19.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.608 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 5.1 tt0 -89.32 30.85 0.94 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.278 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.802 ' O ' ' CH2' ' A' ' 40' ' ' TRP . 16.1 m -63.87 160.16 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.316 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -114.26 156.18 44.65 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.683 ' CA ' HG21 ' A' ' 35' ' ' ILE . 18.2 Cg_endo -74.97 129.09 12.04 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.53 1.806 . . . . 0.0 111.038 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 32' ' ' THR . . . 100.61 12.28 38.49 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.501 1.126 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.628 ' O ' HG22 ' A' ' 31' ' ' VAL . 7.4 tp10 -109.13 171.95 7.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 0.787 . . . . 0.0 110.333 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.409 ' H ' ' CG ' ' A' ' 51' ' ' GLU . 29.6 t -110.99 131.15 55.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.992 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 1.052 HD22 ' O ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -140.02 154.48 47.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 109.312 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.862 ' CG ' HG23 ' A' ' 25' ' ' VAL . 0.4 OUTLIER -82.1 134.89 35.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.126 . . . . 0.0 110.29 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 1.153 HG13 ' CE2' ' A' ' 27' ' ' TYR . 2.4 t -104.62 128.43 58.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.581 1.176 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.975 HG21 ' H ' ' A' ' 57' ' ' GLN . 4.9 mt -92.98 -137.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.975 ' H ' HG21 ' A' ' 56' ' ' ILE . 12.1 tt0 -94.09 156.19 16.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 110.297 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.588 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 1.4 p -67.59 121.08 15.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.397 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.428 ' HB ' ' HG2' ' A' ' 63' ' ' LYS . 1.2 m -54.51 -74.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.365 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.407 ' CG ' ' N ' ' A' ' 61' ' ' ASP . 8.1 t0 -104.82 -91.91 0.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.407 ' N ' ' CG ' ' A' ' 60' ' ' ASP . 0.3 OUTLIER -117.88 -57.29 2.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.335 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.454 ' CG2' ' HG2' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -117.83 68.66 0.77 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 110.417 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.588 ' O ' ' HA ' ' A' ' 58' ' ' THR . 41.6 tttt -154.71 130.98 10.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.895 HG11 ' OH ' ' A' ' 27' ' ' TYR . 3.5 m -119.66 128.23 75.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.778 ' CD2' HD11 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -88.09 128.99 35.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.612 ' SG ' HD21 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -91.08 156.7 17.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 108.314 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.667 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -137.62 136.88 37.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 110.285 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.534 ' ND2' ' O ' ' A' ' 72' ' ' LYS . 0.8 OUTLIER -122.48 138.85 54.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.316 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.407 ' C ' ' H ' ' A' ' 71' ' ' GLY . 3.1 tm-20 -58.82 -8.89 1.5 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 110.281 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.458 ' H ' ' C ' ' A' ' 68' ' ' ASN . 2.7 tp10 -63.25 -7.16 5.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.276 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.407 ' H ' ' C ' ' A' ' 69' ' ' GLU . . . 86.66 11.22 71.54 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.514 1.134 . . . . 0.0 111.015 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.534 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 0.0 OUTLIER -124.33 156.66 36.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 0.762 . . . . 0.0 109.259 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.864 ' CE2' HD12 ' A' ' 23' ' ' ILE . 3.6 m-85 -121.25 168.31 11.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 111.004 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.893 ' HA3' HD12 ' A' ' 45' ' ' LEU . . . -156.95 157.66 28.19 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.443 1.089 . . . . 0.0 111.018 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.898 ' CZ ' ' CE2' ' A' ' 17' ' ' PHE . 3.4 m-85 -104.66 149.84 25.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 0.752 . . . . 0.0 111.033 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.744 ' CG1' HD11 ' A' ' 81' ' ' LEU . 2.1 t -143.22 125.9 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.165 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.65 138.01 41.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.454 ' HG2' ' CG2' ' A' ' 62' ' ' THR . 0.0 OUTLIER -55.93 -18.38 8.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.1 t -48.06 -57.76 5.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.028 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.77 ' CE1' ' CG2' ' A' ' 36' ' ' THR . 13.8 p90 -115.02 82.78 1.8 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 111.039 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.85 HD22 ' H ' ' A' ' 82' ' ' ALA . 0.3 OUTLIER -166.46 174.08 9.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.85 ' H ' HD22 ' A' ' 81' ' ' LEU . . . -98.68 165.76 11.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.52 ' O ' ' OG1' ' A' ' 29' ' ' THR . 1.1 m-20 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.88 ' CE1' ' CD2' ' A' ' 17' ' ' PHE . 1.1 t80 . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.478 0.18 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.41 ' N ' ' CD2' ' A' ' 13' ' ' PHE . 19.6 ttm180 -59.88 -28.66 67.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 110.289 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.426 ' CE ' ' HD2' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -54.59 -59.0 5.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.258 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.775 ' HZ1' ' HA ' ' A' ' 16' ' ' LYS . 0.2 OUTLIER -84.41 -31.65 24.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 1.194 ' O ' ' N ' ' A' ' 19' ' ' TYR . 15.3 m-85 -87.95 29.92 0.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -34.8 6.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 1.194 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -65.15 121.81 15.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 111.012 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -100.48 97.93 8.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.693 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.86 -169.67 15.81 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.468 1.105 . . . . 0.0 110.975 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -102.85 92.78 4.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 0.765 . . . . 0.0 110.298 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.742 HD13 ' CZ ' ' A' ' 13' ' ' PHE . 0.2 OUTLIER -69.02 107.51 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.23 116.82 3.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.09 . . . . 0.0 110.302 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 1.015 HG13 ' HG2' ' A' ' 54' ' ' GLU . 48.9 t -65.53 99.91 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.418 1.074 . . . . 0.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -90.25 -48.53 7.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 1.132 ' CE2' HG13 ' A' ' 55' ' ' VAL . 31.3 p90 -127.29 86.62 2.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.744 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 68.7 p -71.97 110.1 6.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.01 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.558 HG23 ' CD2' ' A' ' 81' ' ' LEU . 0.6 OUTLIER -88.9 160.88 16.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 110.395 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.435 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -99.84 137.3 38.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 0.0 109.275 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.658 ' CG1' HD11 ' A' ' 35' ' ' ILE . 1.7 t -72.56 122.16 24.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.832 HG22 ' H ' ' A' ' 34' ' ' SER . 10.6 t -76.36 178.57 6.43 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.472 1.107 . . . . 0.0 110.356 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.435 ' HA ' ' HB2' ' A' ' 49' ' ' PRO . 11.4 t -80.64 -16.18 54.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.422 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.832 ' H ' HG22 ' A' ' 32' ' ' THR . 3.3 t -95.26 13.44 25.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.138 . . . . 0.0 110.013 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.698 HG21 ' CA ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -70.6 171.73 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.868 HG22 ' CZ3' ' A' ' 40' ' ' TRP . 2.1 t -70.0 117.93 12.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.393 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.99 -27.74 5.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.008 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.438 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 6.2 ptpp? -104.1 -48.03 3.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.573 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -67.74 124.11 22.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.868 ' CZ3' HG22 ' A' ' 36' ' ' THR . 7.1 m95 -143.93 131.53 21.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 108.023 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.402 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -119.39 159.96 14.51 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.493 1.121 . . . . 0.0 110.932 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.6 p -56.69 -36.34 69.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.772 . . . . 0.0 110.398 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.661 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 4.1 mtm105 -96.5 7.48 46.41 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.125 . . . . 0.0 110.323 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.402 ' CB ' ' H ' ' A' ' 41' ' ' GLY . 0.4 OUTLIER -104.2 163.13 12.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.874 HD22 ' CG1' ' A' ' 47' ' ' VAL . 2.8 tp -98.21 153.78 18.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.601 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 5.3 tt0 -89.27 31.39 0.9 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 110.321 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.874 ' CG1' HD22 ' A' ' 45' ' ' LEU . 25.3 m -63.94 160.54 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.27 155.69 46.59 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.698 ' CA ' HG21 ' A' ' 35' ' ' ILE . 18.3 Cg_endo -74.98 126.01 9.71 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.472 1.775 . . . . 0.0 111.02 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 32' ' ' THR . . . 100.47 16.52 26.75 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.509 1.13 . . . . 0.0 110.964 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.611 ' O ' HG22 ' A' ' 31' ' ' VAL . 0.6 OUTLIER -112.56 172.11 7.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 0.758 . . . . 0.0 110.312 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.2 p -104.9 130.88 52.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.955 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.953 HD11 ' C ' ' A' ' 53' ' ' LEU . 0.1 OUTLIER -140.77 146.38 37.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.303 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 1.015 ' HG2' HG13 ' A' ' 25' ' ' VAL . 3.6 mt-10 -78.45 129.15 34.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 110.294 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 1.132 HG13 ' CE2' ' A' ' 27' ' ' TYR . 2.9 t -99.09 127.43 51.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.954 HG21 ' H ' ' A' ' 57' ' ' GLN . 2.1 mt -93.35 -138.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.954 ' H ' HG21 ' A' ' 56' ' ' ILE . 32.0 mm-40 -94.58 155.65 16.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.32 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.527 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 4.8 p -67.0 120.91 14.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.436 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.553 ' HB ' ' CG ' ' A' ' 63' ' ' LYS . 1.1 m -53.47 -75.38 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.142 . . . . 0.0 110.402 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.482 ' N ' HG21 ' A' ' 59' ' ' THR . 4.2 t0 -105.47 -91.07 0.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.351 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.422 ' N ' ' CG ' ' A' ' 60' ' ' ASP . 13.7 m-20 -117.16 -57.69 2.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.252 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.501 ' CG2' ' HG3' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -118.84 69.45 0.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.364 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.553 ' CG ' ' HB ' ' A' ' 59' ' ' THR . 9.8 tppt? -152.54 130.54 11.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.15 . . . . 0.0 109.351 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.865 HG22 HD12 ' A' ' 81' ' ' LEU . 0.1 OUTLIER -117.9 126.82 75.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 1.042 HD11 ' O ' ' A' ' 74' ' ' GLY . 1.5 tp -87.78 128.26 35.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.878 ' SG ' HD12 ' A' ' 53' ' ' LEU . 1.7 t -89.68 155.57 19.13 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.496 1.122 . . . . 0.0 108.307 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.67 ' HG3' ' CD2' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -137.27 136.54 38.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 72' ' ' LYS . 0.7 OUTLIER -121.73 137.55 54.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.163 . . . . 0.0 109.295 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.434 ' C ' ' H ' ' A' ' 71' ' ' GLY . 0.4 OUTLIER -58.29 -8.69 1.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.322 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.473 ' H ' ' C ' ' A' ' 68' ' ' ASN . 2.1 tp10 -63.19 -6.44 4.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 110.342 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.434 ' H ' ' C ' ' A' ' 69' ' ' GLU . . . 87.13 10.74 70.99 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.521 1.138 . . . . 0.0 111.024 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.496 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 15.9 tttt -124.23 156.69 36.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 0.772 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.71 ' HB2' ' CD1' ' A' ' 13' ' ' PHE . 4.3 m-85 -120.62 168.66 11.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 111.043 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 1.042 ' O ' HD11 ' A' ' 65' ' ' LEU . . . -157.77 159.43 29.89 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.509 1.131 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.891 ' CE2' ' CE2' ' A' ' 17' ' ' PHE . 9.2 m-85 -103.83 151.75 22.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 0.766 . . . . 0.0 111.044 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.715 ' CG1' HD11 ' A' ' 81' ' ' LEU . 1.5 t -143.04 126.59 14.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.58 HD21 ' CD ' ' A' ' 78' ' ' ARG . 0.0 OUTLIER -74.03 136.35 43.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.58 ' CD ' HD21 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -55.58 -19.34 9.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.289 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 30.5 t -47.79 -58.13 4.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.122 . . . . 0.0 110.006 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.746 ' CE1' ' CG2' ' A' ' 36' ' ' THR . 11.3 p90 -114.95 84.51 2.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 111.0 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.985 HD22 ' H ' ' A' ' 82' ' ' ALA . 0.4 OUTLIER -167.48 174.95 7.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 109.251 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.985 ' H ' HD22 ' A' ' 81' ' ' LEU . . . -79.42 172.27 14.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.247 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 109.345 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.971 ' CE1' ' CD2' ' A' ' 17' ' ' PHE . 33.5 t80 . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.541 0.21 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -59.95 -29.32 68.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.306 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.44 -59.35 4.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.449 ' HG2' ' CD ' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -84.6 -34.32 23.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 0.0 109.306 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 1.177 ' O ' ' N ' ' A' ' 19' ' ' TYR . 9.2 m-85 -87.95 27.46 1.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 111.031 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -36.31 8.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 1.177 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -63.23 122.13 15.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.994 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -101.13 97.87 8.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.686 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -147.97 -169.81 15.42 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.502 1.127 . . . . 0.0 111.052 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.53 91.7 4.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 0.753 . . . . 0.0 110.263 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.791 HD12 ' CE2' ' A' ' 73' ' ' TYR . 0.2 OUTLIER -66.92 109.27 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.155 . . . . 0.0 109.321 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.466 ' CA ' HH22 ' A' ' 67' ' ' ARG . 0.0 OUTLIER -152.4 116.24 4.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.143 . . . . 0.0 110.28 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.976 HG13 ' HG2' ' A' ' 54' ' ' GLU . 25.7 t -65.9 100.59 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.53 -48.67 6.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 1.172 ' CE2' HG13 ' A' ' 55' ' ' VAL . 29.7 p90 -128.7 88.41 2.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.978 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.7 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 4.0 p -72.25 111.21 7.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.003 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.929 HG23 HD13 ' A' ' 81' ' ' LEU . 1.3 t -88.64 160.76 17.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 110.411 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.823 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 11.1 tmtt? -100.03 138.73 36.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.714 HG22 ' O ' ' A' ' 51' ' ' GLU . 2.1 t -70.57 115.02 9.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.84 HG21 ' H ' ' A' ' 34' ' ' SER . 1.2 m -74.17 136.06 42.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.389 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.537 ' O ' ' HB2' ' A' ' 49' ' ' PRO . 14.6 t -44.53 -17.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.408 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.84 ' H ' HG21 ' A' ' 32' ' ' THR . 0.1 OUTLIER -91.26 13.39 17.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.988 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.683 HG21 ' CA ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -71.52 173.54 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.89 HG22 ' CZ3' ' A' ' 40' ' ' TRP . 1.6 t -71.48 119.66 15.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.436 1.085 . . . . 0.0 110.389 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.431 ' HB3' ' CD ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER -118.19 -27.88 5.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.959 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.444 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 5.0 ptpp? -104.68 -48.07 3.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.577 ' O ' ' OG1' ' A' ' 36' ' ' THR . 0.0 OUTLIER -67.58 124.68 23.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.229 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.89 ' CZ3' HG22 ' A' ' 36' ' ' THR . 6.8 m95 -144.34 128.83 18.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 108.006 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -118.13 159.77 14.12 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.528 1.142 . . . . 0.0 110.984 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 29.4 p -56.6 -36.0 68.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 0.786 . . . . 0.0 110.441 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.67 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 4.0 mtm180 -95.93 6.91 47.75 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.544 1.152 . . . . 0.0 110.305 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.37 162.43 13.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.138 . . . . 0.0 109.264 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 1.068 HD22 ' CG1' ' A' ' 47' ' ' VAL . 5.2 tp -97.98 152.72 18.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.143 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.608 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 5.2 tt0 -88.7 31.16 0.85 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.271 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 1.068 ' CG1' HD22 ' A' ' 45' ' ' LEU . 22.0 m -64.4 160.75 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.47 153.62 44.83 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.683 ' CA ' HG21 ' A' ' 35' ' ' ILE . 18.2 Cg_endo -75.04 127.94 11.06 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.529 1.805 . . . . 0.0 110.973 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.43 11.43 44.81 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.496 1.122 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.714 ' O ' HG22 ' A' ' 31' ' ' VAL . 7.0 tp10 -106.41 170.83 7.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.551 0.795 . . . . 0.0 110.321 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.403 ' H ' ' CG ' ' A' ' 51' ' ' GLU . 0.1 OUTLIER -103.22 131.06 50.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.976 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.936 HD11 ' C ' ' A' ' 53' ' ' LEU . 0.1 OUTLIER -140.51 145.93 37.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.976 ' HG2' HG13 ' A' ' 25' ' ' VAL . 4.3 mt-10 -78.85 131.64 36.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.27 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 1.172 HG13 ' CE2' ' A' ' 27' ' ' TYR . 2.5 t -100.29 126.26 53.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.429 1.08 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.968 HG21 ' H ' ' A' ' 57' ' ' GLN . 2.6 mt -92.93 -136.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.426 1.079 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.968 ' H ' HG21 ' A' ' 56' ' ' ILE . 33.4 mm-40 -93.33 153.65 18.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.287 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.549 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 1.9 p -66.55 120.64 13.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.394 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.702 HG23 ' HD3' ' A' ' 63' ' ' LYS . 1.2 m -54.1 -74.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.404 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.43 ' CG ' ' N ' ' A' ' 61' ' ' ASP . 3.8 t70 -105.16 -91.23 0.39 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.43 ' N ' ' CG ' ' A' ' 60' ' ' ASP . 85.2 m-20 -118.0 -57.66 2.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.14 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.34 68.76 0.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.408 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.702 ' HD3' HG23 ' A' ' 59' ' ' THR . 24.8 tttp -154.75 130.77 10.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.789 HG11 ' HH ' ' A' ' 27' ' ' TYR . 32.0 m -118.45 131.67 70.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.696 ' CD2' HD11 ' A' ' 56' ' ' ILE . 0.6 OUTLIER -86.31 126.91 34.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.807 ' SG ' HD12 ' A' ' 53' ' ' LEU . 1.6 t -88.77 155.84 19.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 108.288 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.698 ' NH2' HG22 ' A' ' 25' ' ' VAL . 4.2 ttm180 -137.65 146.38 43.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.282 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.677 ' OD1' HD23 ' A' ' 45' ' ' LEU . 5.9 m120 -117.15 134.78 54.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -54.88 -17.43 3.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.328 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -79.06 -4.18 48.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 88.84 23.54 35.38 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.547 1.154 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.53 123.28 49.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 0.778 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.791 ' CE2' HD12 ' A' ' 23' ' ' ILE . 24.0 m-85 -104.0 156.27 18.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 111.034 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.86 ' HA3' HD12 ' A' ' 45' ' ' LEU . . . -156.75 160.26 30.17 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.893 ' CZ ' ' CE2' ' A' ' 17' ' ' PHE . 2.7 m-85 -102.99 149.96 24.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 0.776 . . . . 0.0 110.983 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.2 t -139.95 125.14 20.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.504 ' CD2' ' HD3' ' A' ' 78' ' ' ARG . 0.1 OUTLIER -78.26 141.81 38.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.553 ' HA ' HD22 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -57.17 -20.0 23.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 110.251 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.0 t -50.58 -60.18 3.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 110.01 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.754 ' CE1' ' CG2' ' A' ' 36' ' ' THR . 17.6 p90 -116.54 84.12 2.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.976 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.929 HD13 HG23 ' A' ' 29' ' ' THR . 0.1 OUTLIER -166.6 174.79 8.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.893 ' H ' HD11 ' A' ' 81' ' ' LEU . . . -79.39 173.52 12.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.438 1.086 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.822 ' CE2' ' CD2' ' A' ' 17' ' ' PHE . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.455 0.169 . . . . 0.0 110.957 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.472 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 9.3 ttp180 -60.06 -28.62 67.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.148 . . . . 0.0 110.353 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.02 -59.15 5.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.418 ' HG2' ' CD ' ' A' ' 43' ' ' ARG . 11.3 tptp -84.63 -32.21 23.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 1.185 ' O ' ' N ' ' A' ' 19' ' ' TYR . 9.0 m-85 -87.33 29.7 0.84 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 111.002 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -35.49 7.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 1.185 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -63.88 121.59 14.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 111.008 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -99.97 98.08 8.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.692 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.67 -169.86 15.89 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.512 1.132 . . . . 0.0 110.975 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -103.22 92.22 4.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 0.754 . . . . 0.0 110.334 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.977 HD12 ' CE2' ' A' ' 73' ' ' TYR . 0.2 OUTLIER -67.7 109.3 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -153.02 116.06 4.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 110.272 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.976 HG13 ' HG2' ' A' ' 54' ' ' GLU . 63.4 t -66.39 99.81 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.64 -47.6 7.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 1.095 ' CE2' HG13 ' A' ' 55' ' ' VAL . 30.5 p90 -125.86 89.53 3.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.703 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 95.0 p -71.95 110.59 6.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.035 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.939 HG23 HD13 ' A' ' 81' ' ' LEU . 1.3 t -89.94 159.38 16.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.411 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.888 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -103.52 137.13 42.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.638 ' CG1' HG23 ' A' ' 35' ' ' ILE . 1.7 t -71.22 121.28 20.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.757 HG22 ' H ' ' A' ' 34' ' ' SER . 13.9 t -75.46 178.46 5.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.416 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.482 ' HA ' ' HB2' ' A' ' 49' ' ' PRO . 2.7 t -80.77 -15.81 55.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.44 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.757 ' H ' HG22 ' A' ' 32' ' ' THR . 8.1 t -96.07 13.67 26.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.011 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.679 HG21 ' CB ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -70.41 170.65 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.855 HG22 ' CZ3' ' A' ' 40' ' ' TRP . 1.7 t -70.33 117.85 12.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.433 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.84 -28.55 5.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.977 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.442 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 0.6 OUTLIER -104.28 -48.07 3.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.569 ' O ' ' OG1' ' A' ' 36' ' ' THR . 0.0 OUTLIER -67.91 125.15 25.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.274 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.855 ' CZ3' HG22 ' A' ' 36' ' ' THR . 7.4 m95 -144.17 131.05 20.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 107.972 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.404 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -118.06 159.87 14.06 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 34.0 p -56.53 -35.69 68.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 0.799 . . . . 0.0 110.399 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.671 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 5.9 mtm180 -95.97 6.62 48.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.331 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.404 ' CB ' ' H ' ' A' ' 41' ' ' GLY . 0.3 OUTLIER -104.41 162.22 13.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.889 HD12 ' HA3' ' A' ' 74' ' ' GLY . 4.3 tp -98.88 157.24 16.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.256 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.593 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 5.5 tt0 -89.35 31.5 0.9 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.789 ' O ' ' CH2' ' A' ' 40' ' ' TRP . 21.5 m -63.65 160.88 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.95 155.6 50.94 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.679 ' CB ' HG21 ' A' ' 35' ' ' ILE . 18.1 Cg_endo -75.04 130.99 13.73 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.531 1.806 . . . . 0.0 110.937 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.6 6.45 52.76 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.456 1.098 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.577 ' O ' HG22 ' A' ' 31' ' ' VAL . 5.6 tt0 -100.28 172.02 7.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 0.782 . . . . 0.0 110.29 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -122.61 128.96 51.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.984 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 1.097 HD21 ' H ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -141.92 154.97 45.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 109.264 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 1.097 ' H ' HD21 ' A' ' 53' ' ' LEU . 2.9 mt-10 -74.71 132.49 41.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 110.306 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 1.095 HG13 ' CE2' ' A' ' 27' ' ' TYR . 2.2 t -101.34 134.17 42.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.947 HG21 ' H ' ' A' ' 57' ' ' GLN . 3.1 mt -92.97 -137.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.947 ' H ' HG21 ' A' ' 56' ' ' ILE . 26.2 mm100 -95.27 157.24 15.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.597 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 2.8 p -66.98 119.42 11.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.386 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.543 HG21 ' N ' ' A' ' 60' ' ' ASP . 0.9 OUTLIER -53.92 -73.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 110.39 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.543 ' N ' HG21 ' A' ' 59' ' ' THR . 3.2 t70 -104.4 -91.29 0.38 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.44 ' N ' ' CG ' ' A' ' 60' ' ' ASP . 4.3 m-20 -117.4 -58.07 2.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.16 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.576 HG23 ' HD2' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -119.21 69.42 0.82 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 110.381 -179.928 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.597 ' O ' ' HA ' ' A' ' 58' ' ' THR . 5.8 ttpt -154.66 130.49 10.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.307 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.967 HG11 ' HH ' ' A' ' 27' ' ' TYR . 31.5 m -116.93 132.31 67.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.921 HD11 ' O ' ' A' ' 74' ' ' GLY . 13.5 tp -87.72 128.19 35.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.25 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.865 ' SG ' HD21 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -90.84 150.71 21.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 108.318 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.897 ' H ' HD23 ' A' ' 53' ' ' LEU . 1.2 ttt180 -139.31 132.24 29.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.265 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.527 ' ND2' ' O ' ' A' ' 72' ' ' LYS . 0.5 OUTLIER -121.4 138.42 54.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.439 ' C ' ' H ' ' A' ' 71' ' ' GLY . 2.5 tt0 -54.99 -11.57 0.67 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 110.342 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.458 ' H ' ' C ' ' A' ' 68' ' ' ASN . 1.2 tt0 -59.75 -9.04 2.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 110.296 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.439 ' H ' ' C ' ' A' ' 69' ' ' GLU . . . 87.07 10.87 70.89 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.738 ' HZ2' HD13 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -124.74 151.73 44.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 0.742 . . . . 0.0 109.32 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.977 ' CE2' HD12 ' A' ' 23' ' ' ILE . 7.4 m-85 -114.37 170.59 8.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.096 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.921 ' O ' HD11 ' A' ' 65' ' ' LEU . . . -157.35 158.03 28.6 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.499 1.125 . . . . 0.0 111.008 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.888 ' CD2' ' CZ ' ' A' ' 17' ' ' PHE . 1.6 m-85 -105.9 152.1 23.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.775 . . . . 0.0 110.988 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 t -142.19 125.71 15.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.457 HD22 ' H ' ' A' ' 78' ' ' ARG . 0.1 OUTLIER -80.46 142.29 34.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.576 ' HD2' HG23 ' A' ' 62' ' ' THR . 0.0 OUTLIER -58.21 -21.14 46.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.266 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.465 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 0.5 OUTLIER -50.06 -59.69 3.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.988 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.772 ' CE1' ' CG2' ' A' ' 36' ' ' THR . 15.6 p90 -117.57 83.26 1.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.939 HD13 HG23 ' A' ' 29' ' ' THR . 0.1 OUTLIER -166.14 174.56 9.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.913 ' H ' HD11 ' A' ' 81' ' ' LEU . . . -76.5 173.39 11.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.328 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.825 ' CE2' ' CD2' ' A' ' 17' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.487 0.184 . . . . 0.0 111.03 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.592 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 4.3 ttp-105 -58.86 -35.65 73.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 110.331 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.435 ' HG3' ' H ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -51.67 -57.6 8.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.486 ' CG ' ' HD3' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -83.05 -33.87 26.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.366 179.926 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 1.19 ' O ' ' N ' ' A' ' 19' ' ' TYR . 7.5 m-85 -87.48 29.81 0.85 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.963 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -35.2 7.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 1.19 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -64.3 121.84 15.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 110.979 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -99.55 97.9 8.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.115 . . . . 0.0 109.271 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.688 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.69 -169.72 15.76 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.551 1.157 . . . . 0.0 110.968 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -102.26 92.77 4.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 0.75 . . . . 0.0 110.283 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.843 HG12 HD12 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -68.18 108.53 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.08 116.08 4.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.292 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.944 HG13 ' CG ' ' A' ' 54' ' ' GLU . 60.8 t -66.0 100.19 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -90.62 -49.2 6.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.273 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 1.145 ' CE2' HG13 ' A' ' 55' ' ' VAL . 31.4 p90 -126.95 88.13 2.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.09 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.656 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 70.1 p -71.74 110.89 6.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.981 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.98 HG23 HD13 ' A' ' 81' ' ' LEU . 2.6 t -84.68 160.14 20.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 110.367 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.876 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 0.3 OUTLIER -101.72 135.08 43.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.649 ' CG1' HG23 ' A' ' 35' ' ' ILE . 1.7 t -72.45 120.89 21.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.254 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.874 HG22 ' H ' ' A' ' 34' ' ' SER . 8.2 t -75.91 178.88 5.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.384 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.435 ' HA ' ' HB2' ' A' ' 49' ' ' PRO . 5.3 t -80.8 -15.64 55.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.437 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.874 ' H ' HG22 ' A' ' 32' ' ' THR . 11.4 t -95.88 13.39 26.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.005 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.662 HG21 ' CA ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -70.47 171.32 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.875 ' O ' ' CH2' ' A' ' 40' ' ' TRP . 1.6 t -70.42 117.24 11.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 110.4 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.77 -27.52 5.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.012 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.453 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 1.1 ptpt -104.46 -48.82 3.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.57 ' O ' ' OG1' ' A' ' 36' ' ' THR . 0.0 OUTLIER -68.06 125.47 26.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.875 ' CH2' ' O ' ' A' ' 36' ' ' THR . 7.3 m95 -144.32 130.57 19.69 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.015 -1.105 . . . . 0.0 108.015 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.411 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -118.61 159.6 14.31 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.543 1.152 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 10.7 t -56.37 -35.69 67.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 0.76 . . . . 0.0 110.364 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.661 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 6.7 mtm105 -96.37 7.29 46.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.16 . . . . 0.0 110.278 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.411 ' CB ' ' H ' ' A' ' 41' ' ' GLY . 0.2 OUTLIER -104.86 162.31 13.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.943 HD12 ' HA3' ' A' ' 74' ' ' GLY . 5.0 tp -98.02 154.77 17.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.592 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 6.0 tt0 -89.11 30.54 0.95 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 110.323 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.787 ' O ' ' CH2' ' A' ' 40' ' ' TRP . 19.4 m -63.77 160.04 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.8 mptt -114.68 155.46 46.12 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.662 ' CA ' HG21 ' A' ' 35' ' ' ILE . 18.1 Cg_endo -74.98 126.94 10.31 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.496 1.788 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 32' ' ' THR . . . 101.04 11.45 39.66 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.484 1.115 . . . . 0.0 111.018 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.63 ' O ' HG22 ' A' ' 31' ' ' VAL . 2.8 mp0 -106.87 172.05 7.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 0.753 . . . . 0.0 110.29 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 p -113.17 131.36 55.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.035 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 1.024 HD22 ' O ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -140.47 157.21 45.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.944 ' CG ' HG13 ' A' ' 25' ' ' VAL . 0.9 OUTLIER -81.11 135.31 35.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.338 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 1.145 HG13 ' CE2' ' A' ' 27' ' ' TYR . 2.2 t -104.97 127.91 59.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.948 HG21 ' H ' ' A' ' 57' ' ' GLN . 5.1 mt -93.19 -137.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.252 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.948 ' H ' HG21 ' A' ' 56' ' ' ILE . 28.9 mm100 -93.71 155.2 17.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 110.279 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.591 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 3.0 p -67.3 121.42 15.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 110.415 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.479 ' HB ' ' CG ' ' A' ' 63' ' ' LYS . 1.2 m -54.51 -74.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.41 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.404 ' CG ' ' N ' ' A' ' 61' ' ' ASP . 5.2 t70 -105.47 -91.09 0.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.404 ' N ' ' CG ' ' A' ' 60' ' ' ASP . 4.0 m-20 -117.84 -57.27 2.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.48 HG23 ' HD2' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -118.11 68.83 0.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.427 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.591 ' O ' ' HA ' ' A' ' 58' ' ' THR . 0.0 OUTLIER -155.12 130.91 9.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.272 -179.93 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.663 HG21 HD21 ' A' ' 81' ' ' LEU . 35.1 m -120.04 129.49 75.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.775 ' CD2' HD11 ' A' ' 56' ' ' ILE . 0.2 OUTLIER -87.97 129.13 35.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.609 ' HB2' HD13 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -90.32 155.68 18.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 108.344 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.673 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 16.6 ttp85 -137.85 134.95 35.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.318 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.516 ' ND2' ' O ' ' A' ' 72' ' ' LYS . 0.5 OUTLIER -122.12 138.28 54.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -55.91 -10.79 0.84 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.286 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.464 ' H ' ' C ' ' A' ' 68' ' ' ASN . 2.9 tp10 -63.03 -7.96 6.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 110.287 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.23 10.46 74.45 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.482 1.114 . . . . 0.0 110.998 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.516 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 0.7 OUTLIER -120.1 156.79 30.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 0.756 . . . . 0.0 109.264 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.719 ' CE2' HD12 ' A' ' 23' ' ' ILE . 4.4 m-85 -123.49 167.65 13.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 111.008 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.943 ' HA3' HD12 ' A' ' 45' ' ' LEU . . . -157.21 158.02 28.55 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.564 1.165 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.9 ' CZ ' ' CE2' ' A' ' 17' ' ' PHE . 2.3 m-85 -104.57 153.61 20.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 0.737 . . . . 0.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.6 t -142.87 126.03 13.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.415 HD22 ' H ' ' A' ' 78' ' ' ARG . 0.1 OUTLIER -77.89 140.46 39.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.254 -179.934 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.611 ' HA ' HD22 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -57.4 -20.04 27.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 110.287 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.453 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 13.6 t -50.14 -59.38 3.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.971 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.77 ' CE1' ' CG2' ' A' ' 36' ' ' THR . 17.9 p90 -117.01 83.99 2.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.57 1.169 . . . . 0.0 110.985 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.98 HD13 HG23 ' A' ' 29' ' ' THR . 0.1 OUTLIER -167.07 175.31 7.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.933 ' H ' HD11 ' A' ' 81' ' ' LEU . . . -78.95 172.52 13.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.829 ' CE2' ' CD2' ' A' ' 17' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.517 0.199 . . . . 0.0 110.982 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.579 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 4.4 ttp180 -58.31 -36.63 73.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 110.358 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.431 ' HG3' ' H ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -51.81 -57.27 9.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.431 ' H ' ' HG3' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -82.51 -34.7 27.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 1.189 ' O ' ' N ' ' A' ' 19' ' ' TYR . 9.6 m-85 -87.3 29.86 0.83 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.965 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt -35.45 8.3 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 1.189 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -63.64 121.74 14.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 111.066 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -99.16 98.05 9.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.291 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.696 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.41 -169.73 15.6 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.524 1.14 . . . . 0.0 111.038 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -103.0 92.65 4.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 0.782 . . . . 0.0 110.29 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.695 HD12 ' CE2' ' A' ' 73' ' ' TYR . 0.2 OUTLIER -70.38 109.53 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.25 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.443 ' CA ' HH22 ' A' ' 67' ' ' ARG . 42.7 tpt85 -152.87 115.82 4.58 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 110.306 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.744 HG13 ' CG ' ' A' ' 54' ' ' GLU . 40.4 t -66.04 99.26 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.82 -48.46 6.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 1.161 ' CE2' HG13 ' A' ' 55' ' ' VAL . 28.5 p90 -128.19 87.73 2.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.653 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 77.5 p -72.28 109.27 5.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.576 1.172 . . . . 0.0 109.961 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.937 HG23 HD13 ' A' ' 81' ' ' LEU . 1.3 t -85.62 159.56 19.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 110.414 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.89 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 0.7 OUTLIER -101.82 136.86 40.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.654 ' CG1' HG23 ' A' ' 35' ' ' ILE . 1.7 t -70.72 121.72 21.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.763 HG22 ' H ' ' A' ' 34' ' ' SER . 11.1 t -76.06 178.84 6.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.425 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.438 ' HA ' ' HB2' ' A' ' 49' ' ' PRO . 12.1 t -80.31 -18.92 47.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.385 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.763 ' H ' HG22 ' A' ' 32' ' ' THR . 48.4 t -92.94 13.46 20.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.033 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.674 HG21 ' CA ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -70.79 171.58 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.861 HG22 ' CZ3' ' A' ' 40' ' ' TRP . 1.7 t -70.94 118.41 13.68 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.478 1.111 . . . . 0.0 110.385 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.93 -27.65 5.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.012 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.447 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 3.1 pttt -104.41 -48.33 3.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.561 ' O ' ' OG1' ' A' ' 36' ' ' THR . 0.0 OUTLIER -67.79 124.63 23.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.356 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.861 ' CZ3' HG22 ' A' ' 36' ' ' THR . 6.8 m95 -144.03 129.35 18.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 108.039 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.41 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -118.37 159.86 14.14 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.51 1.131 . . . . 0.0 110.979 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.7 t -56.61 -35.88 68.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 0.755 . . . . 0.0 110.423 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.668 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 11.1 mtm180 -96.31 7.12 47.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 110.313 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.41 ' CB ' ' H ' ' A' ' 41' ' ' GLY . 0.3 OUTLIER -104.19 163.23 12.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 1.043 HD22 ' CG1' ' A' ' 47' ' ' VAL . 7.4 tp -98.64 153.06 18.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.596 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 4.7 tt0 -88.45 30.76 0.86 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.557 1.161 . . . . 0.0 110.284 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 1.043 ' CG1' HD22 ' A' ' 45' ' ' LEU . 20.4 m -64.28 160.91 2.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.77 156.2 45.25 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.674 ' CA ' HG21 ' A' ' 35' ' ' ILE . 18.3 Cg_endo -75.02 124.88 8.94 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.517 1.798 . . . . 0.0 110.982 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 32' ' ' THR . . . 101.37 10.13 42.46 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.485 1.116 . . . . 0.0 110.969 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.602 ' O ' HG22 ' A' ' 31' ' ' VAL . 0.4 OUTLIER -104.26 171.94 7.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 0.777 . . . . 0.0 110.259 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.8 p -108.72 131.75 54.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 110.009 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 1.108 HD22 ' O ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -141.14 152.24 44.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.289 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.744 ' CG ' HG13 ' A' ' 25' ' ' VAL . 1.4 mp0 -79.73 135.12 36.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.339 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 1.161 HG13 ' CE2' ' A' ' 27' ' ' TYR . 2.4 t -105.07 125.59 60.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.948 HG21 ' H ' ' A' ' 57' ' ' GLN . 4.2 mt -91.82 -136.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.948 ' H ' HG21 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -93.98 154.21 17.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 0.0 110.28 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.552 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 2.3 p -67.33 121.21 15.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 110.382 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.513 ' HB ' ' CG ' ' A' ' 63' ' ' LYS . 1.3 m -54.3 -75.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.412 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.445 ' OD2' ' N ' ' A' ' 61' ' ' ASP . 4.2 t70 -105.77 -91.56 0.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.445 ' N ' ' OD2' ' A' ' 60' ' ' ASP . 10.2 m-20 -117.37 -57.37 2.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.469 HG23 ' HD2' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -117.91 68.74 0.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.417 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.732 ' HZ1' ' HB3' ' A' ' 75' ' ' TYR . 0.7 OUTLIER -155.17 130.12 9.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 109.281 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.74 HG11 ' HH ' ' A' ' 27' ' ' TYR . 34.8 m -119.47 129.59 75.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.667 ' CD2' HD11 ' A' ' 56' ' ' ILE . 0.4 OUTLIER -86.97 124.83 33.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.258 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.758 ' SG ' HD21 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -90.03 158.59 17.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 108.289 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.701 ' NH2' HG22 ' A' ' 25' ' ' VAL . 7.2 ttm180 -134.24 144.58 48.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.302 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 55.0 t30 -118.87 130.44 55.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.137 . . . . 0.0 109.281 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -54.14 -16.62 2.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.321 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -71.69 -5.52 34.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.296 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 87.77 15.34 61.61 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.526 1.141 . . . . 0.0 110.979 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 20.1 ttpt -117.27 123.61 47.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 0.751 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.695 ' CE2' HD12 ' A' ' 23' ' ' ILE . 5.1 m-85 -95.61 165.93 12.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 111.028 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.67 ' HA3' HD12 ' A' ' 45' ' ' LEU . . . -156.88 158.5 28.85 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.472 1.107 . . . . 0.0 110.963 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.853 ' CZ ' ' CE2' ' A' ' 17' ' ' PHE . 3.0 m-85 -104.6 152.3 22.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 0.744 . . . . 0.0 110.982 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.437 ' O ' ' CD ' ' A' ' 63' ' ' LYS . 2.4 t -142.66 125.79 14.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.453 HD22 ' H ' ' A' ' 78' ' ' ARG . 0.1 OUTLIER -78.4 141.93 37.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.591 ' HA ' HD22 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -57.33 -20.58 29.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.45 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -50.78 -60.11 3.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.961 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.756 ' CE1' ' CG2' ' A' ' 36' ' ' THR . 19.7 p90 -116.58 83.78 2.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 111.01 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.937 HD13 HG23 ' A' ' 29' ' ' THR . 0.1 OUTLIER -166.06 175.74 8.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.906 ' H ' HD11 ' A' ' 81' ' ' LEU . . . -78.76 173.12 12.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.328 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.934 ' CE1' ' CD2' ' A' ' 17' ' ' PHE . 23.7 t80 . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.47 0.176 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 -59.41 -29.72 67.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.304 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.85 -58.87 5.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.439 ' CG ' ' HD3' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -84.68 -33.66 23.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 1.196 ' O ' ' N ' ' A' ' 19' ' ' TYR . 23.1 m-85 -88.1 27.23 1.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -35.38 7.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 1.196 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -64.88 122.64 17.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 110.981 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -100.95 97.83 8.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.68 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.47 -169.85 15.75 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.535 1.147 . . . . 0.0 110.984 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 55.9 tt0 -102.23 92.74 4.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 0.764 . . . . 0.0 110.358 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.859 HG23 ' HH ' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -67.01 108.67 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -154.63 117.32 4.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.3 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.929 HG23 ' CG ' ' A' ' 54' ' ' GLU . 7.2 p -66.54 100.37 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -89.95 -49.4 6.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 1.158 ' CE2' HG13 ' A' ' 55' ' ' VAL . 30.2 p90 -126.94 86.63 2.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.965 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.638 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 56.0 p -72.02 109.96 6.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.009 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.886 HG23 HD13 ' A' ' 81' ' ' LEU . 2.1 t -86.71 161.35 18.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.413 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.871 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 4.0 tttm -98.86 136.75 38.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 109.347 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.693 HG22 ' O ' ' A' ' 51' ' ' GLU . 2.0 t -70.39 118.62 15.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.62 ' O ' ' N ' ' A' ' 35' ' ' ILE . 92.4 m -74.55 137.07 42.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.401 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.547 ' O ' ' HB2' ' A' ' 49' ' ' PRO . 8.9 t -46.85 -14.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.405 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.544 ' H ' ' C ' ' A' ' 32' ' ' THR . 1.6 t -95.77 13.84 25.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.955 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.714 HG21 ' CA ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -70.87 173.45 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.908 HG22 ' CZ3' ' A' ' 40' ' ' TRP . 2.1 t -70.38 120.72 16.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.413 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.54 -27.72 5.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 109.961 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.433 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 1.2 pttt -104.09 -47.55 4.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.26 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.598 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -67.48 124.14 22.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.908 ' CZ3' HG22 ' A' ' 36' ' ' THR . 5.8 m95 -143.98 129.57 19.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 108.008 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -118.15 159.88 14.07 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.547 1.154 . . . . 0.0 111.002 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.9 t -56.93 -36.87 70.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.779 . . . . 0.0 110.39 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.63 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 5.2 mtm180 -96.33 7.06 47.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 110.279 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.03 162.73 12.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.253 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 1.081 HD22 ' CG1' ' A' ' 47' ' ' VAL . 7.8 tp -97.81 149.97 21.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.531 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 1.0 OUTLIER -88.2 31.2 0.81 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 110.278 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 1.081 ' CG1' HD22 ' A' ' 45' ' ' LEU . 29.3 m -64.12 161.16 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.128 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.65 154.85 43.78 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.714 ' CA ' HG21 ' A' ' 35' ' ' ILE . 18.2 Cg_endo -75.02 128.49 11.52 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.483 1.78 . . . . 0.0 110.966 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.19 12.61 41.82 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.452 1.095 . . . . 0.0 111.0 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.693 ' O ' HG22 ' A' ' 31' ' ' VAL . 1.7 mp0 -107.38 172.67 6.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 0.772 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.7 p -111.16 131.04 55.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.031 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 1.037 HD22 ' O ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -139.3 156.69 46.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.929 ' CG ' HG23 ' A' ' 25' ' ' VAL . 0.5 OUTLIER -81.79 133.12 35.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 110.305 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 1.158 HG13 ' CE2' ' A' ' 27' ' ' TYR . 2.3 t -103.46 126.54 57.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.948 HG21 ' H ' ' A' ' 57' ' ' GLN . 4.8 mt -92.15 -137.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.948 ' H ' HG21 ' A' ' 56' ' ' ILE . 29.9 mm-40 -94.59 155.03 17.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.304 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.566 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 6.6 p -67.53 122.48 18.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 110.425 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.517 ' HB ' ' CG ' ' A' ' 63' ' ' LYS . 1.3 m -55.34 -75.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.367 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.407 ' CG ' ' N ' ' A' ' 61' ' ' ASP . 4.7 t70 -105.72 -91.18 0.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.407 ' N ' ' CG ' ' A' ' 60' ' ' ASP . 6.6 m-20 -117.82 -57.05 2.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.428 HG21 ' CB ' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -117.52 68.3 0.75 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 110.415 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.566 ' O ' ' HA ' ' A' ' 58' ' ' THR . 0.1 OUTLIER -155.54 131.6 10.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 -179.918 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.721 ' O ' HG11 ' A' ' 76' ' ' VAL . 22.6 m -121.57 130.61 74.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.24 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.769 ' CD2' HD11 ' A' ' 56' ' ' ILE . 0.5 OUTLIER -87.81 124.47 33.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.573 1.171 . . . . 0.0 109.325 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.766 ' SG ' HD21 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -89.68 157.42 18.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 108.265 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.679 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 0.4 OUTLIER -134.67 145.83 48.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.319 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -118.63 130.77 56.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -54.2 -18.52 3.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.464 1.103 . . . . 0.0 110.261 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -73.23 -4.77 35.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 110.288 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 88.21 17.49 57.37 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.538 1.149 . . . . 0.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.2 ttpt -113.6 124.17 51.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 0.779 . . . . 0.0 109.33 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.859 ' HH ' HG23 ' A' ' 23' ' ' ILE . 6.3 m-85 -101.72 161.0 13.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.995 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.568 ' HA3' HD12 ' A' ' 45' ' ' LEU . . . -156.6 159.55 29.59 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.539 1.149 . . . . 0.0 110.97 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.869 ' CZ ' ' CE2' ' A' ' 17' ' ' PHE . 2.4 m-85 -104.06 150.16 24.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.721 HG11 ' O ' ' A' ' 64' ' ' VAL . 1.3 p -138.66 125.21 25.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.46 HD22 ' H ' ' A' ' 78' ' ' ARG . 0.1 OUTLIER -77.65 141.89 39.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.595 ' HA ' HD22 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -56.96 -21.33 29.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.165 . . . . 0.0 110.3 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.437 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 27.7 t -50.31 -59.75 3.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 109.94 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.767 ' CE1' ' CG2' ' A' ' 36' ' ' THR . 20.6 p90 -116.46 84.2 2.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 111.042 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.955 HD11 ' H ' ' A' ' 82' ' ' ALA . 0.1 OUTLIER -166.05 174.48 9.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.955 ' H ' HD11 ' A' ' 81' ' ' LEU . . . -83.16 173.7 11.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.552 ' OD1' ' N ' ' A' ' 83' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.968 ' CE2' ' CD2' ' A' ' 17' ' ' PHE . 1.6 t80 . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.517 0.199 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.448 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 13.2 ptm180 -60.47 -29.21 68.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.306 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.49 -58.71 6.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.408 ' HG2' ' HD3' ' A' ' 43' ' ' ARG . 1.1 tttt -84.84 -30.67 24.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 1.219 ' O ' ' N ' ' A' ' 19' ' ' TYR . 6.5 m-85 -87.21 29.4 0.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 111.013 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -34.64 6.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 1.219 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -65.03 122.01 16.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.969 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -100.67 98.02 8.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.27 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.686 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.49 -169.89 15.81 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.526 1.141 . . . . 0.0 110.957 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -102.01 91.83 4.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 0.74 . . . . 0.0 110.337 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.821 HD12 ' CE2' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -66.31 108.66 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.421 ' H ' HG22 ' A' ' 56' ' ' ILE . 0.2 OUTLIER -154.41 146.37 23.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.335 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 1.007 HG13 ' CG ' ' A' ' 54' ' ' GLU . 32.7 t -95.5 99.48 9.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -90.79 -48.7 6.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 1.159 ' CE2' HG13 ' A' ' 55' ' ' VAL . 30.0 p90 -126.6 87.43 2.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.993 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.648 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 43.0 p -71.08 111.73 6.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.98 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.705 HG21 ' CG2' ' A' ' 55' ' ' VAL . 1.3 t -90.99 161.1 15.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 110.409 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.756 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 1.4 ttmm -99.86 138.17 37.31 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.711 HG22 ' O ' ' A' ' 51' ' ' GLU . 1.7 t -71.2 121.51 21.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.83 HG21 ' H ' ' A' ' 34' ' ' SER . 1.3 m -74.7 134.93 41.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.397 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.52 ' O ' ' HB2' ' A' ' 49' ' ' PRO . 8.8 t -46.13 -15.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.408 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.83 ' H ' HG21 ' A' ' 32' ' ' THR . 1.4 p -95.68 13.4 26.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.978 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.722 HG21 ' CA ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -71.08 172.92 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.949 HG22 ' CZ3' ' A' ' 40' ' ' TRP . 2.2 t -70.52 121.95 18.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.409 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.45 ' HB3' ' CD ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER -118.58 -27.76 5.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.948 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.431 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 5.3 ptpt -104.68 -47.5 4.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.35 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.589 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -67.7 125.08 25.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.949 ' CZ3' HG22 ' A' ' 36' ' ' THR . 5.7 m95 -144.05 134.37 24.49 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.433 ' H ' ' HB3' ' A' ' 44' ' ' ASP . . . -118.96 158.67 14.76 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.5 t -58.38 -36.55 73.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 110.46 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.618 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 1.1 mtm-85 -95.0 6.81 48.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.1 . . . . 0.0 110.316 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.452 ' OD1' ' O ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -105.79 163.36 12.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.897 HD12 ' HA3' ' A' ' 74' ' ' GLY . 4.0 tp -97.74 155.1 17.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.342 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.555 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 5.6 tt0 -88.26 33.09 0.74 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.557 1.161 . . . . 0.0 110.328 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.809 ' O ' ' CH2' ' A' ' 40' ' ' TRP . 27.6 m -62.92 161.5 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.443 ' HZ2' ' HG2' ' A' ' 46' ' ' GLN . 0.1 OUTLIER -115.87 152.96 48.07 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.316 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.722 ' CA ' HG21 ' A' ' 35' ' ' ILE . 18.3 Cg_endo -75.03 131.42 14.23 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.512 1.796 . . . . 0.0 110.98 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 95.29 9.81 57.66 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.446 1.091 . . . . 0.0 111.003 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.711 ' O ' HG22 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -104.52 172.29 6.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 0.791 . . . . 0.0 110.307 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -113.34 129.86 56.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.026 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 1.071 HD22 ' O ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -140.42 157.09 46.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 0.0 109.341 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 1.007 ' CG ' HG13 ' A' ' 25' ' ' VAL . 0.4 OUTLIER -79.46 134.68 36.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.119 . . . . 0.0 110.273 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 1.159 HG13 ' CE2' ' A' ' 27' ' ' TYR . 2.3 t -103.28 126.65 57.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.968 HG21 ' H ' ' A' ' 57' ' ' GLN . 7.7 mt -93.21 -137.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.968 ' H ' HG21 ' A' ' 56' ' ' ILE . 13.2 tt0 -94.77 154.05 17.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.282 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.557 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 3.3 p -66.66 121.38 15.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.398 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.517 ' OG1' ' CE1' ' A' ' 75' ' ' TYR . 1.3 m -54.42 -75.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.395 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.427 ' CG ' ' N ' ' A' ' 61' ' ' ASP . 3.7 t70 -105.59 -91.25 0.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.163 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.427 ' N ' ' CG ' ' A' ' 60' ' ' ASP . 61.9 m-20 -117.68 -57.43 2.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.634 HG21 ' CB ' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -117.37 69.07 0.76 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 110.373 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.557 ' O ' ' HA ' ' A' ' 58' ' ' THR . 1.9 tppt? -156.38 130.35 8.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 1.011 ' O ' HG11 ' A' ' 76' ' ' VAL . 31.9 m -118.91 132.05 69.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.992 HD11 ' O ' ' A' ' 74' ' ' GLY . 16.1 tp -88.11 127.31 35.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.584 ' HB2' HD13 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -91.16 155.82 18.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 108.309 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.657 ' HG3' ' CD2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -137.9 136.56 37.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.283 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.465 ' ND2' ' O ' ' A' ' 72' ' ' LYS . 0.3 OUTLIER -121.98 142.47 50.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 109.329 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.14 -13.57 0.87 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 110.256 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.443 ' H ' ' C ' ' A' ' 68' ' ' ASN . 2.0 tp10 -64.92 -7.24 10.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 85.0 -0.18 89.06 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.538 1.149 . . . . 0.0 110.988 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.481 ' HE3' HD13 ' A' ' 45' ' ' LEU . 3.4 ttpt -103.46 156.76 17.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 0.766 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.821 ' CE2' HD12 ' A' ' 23' ' ' ILE . 2.3 m-85 -124.99 165.74 17.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 110.968 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.992 ' O ' HD11 ' A' ' 65' ' ' LEU . . . -155.52 159.04 28.92 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.49 1.119 . . . . 0.0 110.979 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.855 ' CE2' ' CE2' ' A' ' 17' ' ' PHE . 3.5 m-85 -104.37 152.92 21.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 0.776 . . . . 0.0 111.03 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 1.011 HG11 ' O ' ' A' ' 64' ' ' VAL . 11.8 p -138.94 125.96 25.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.415 HD22 ' HA ' ' A' ' 77' ' ' LEU . 0.1 OUTLIER -76.34 140.32 41.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.634 ' CB ' HG21 ' A' ' 62' ' ' THR . 0.0 OUTLIER -57.8 -20.72 37.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 110.319 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.469 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 12.2 t -50.78 -59.69 3.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.0 110.0 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.729 ' CE1' ' CG2' ' A' ' 36' ' ' THR . 10.6 p90 -117.04 83.57 2.0 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 111.017 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.828 HD11 ' H ' ' A' ' 82' ' ' ALA . 0.1 OUTLIER -166.01 174.72 9.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.828 ' H ' HD11 ' A' ' 81' ' ' LEU . . . -77.52 173.29 12.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.887 ' CE2' ' CD2' ' A' ' 17' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.478 0.18 . . . . 0.0 111.022 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.576 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 1.8 ttm180 -58.48 -36.65 74.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 110.335 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.492 ' HG3' ' H ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -51.09 -56.87 10.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.492 ' H ' ' HG3' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -83.29 -33.88 25.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 109.303 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 1.191 ' O ' ' N ' ' A' ' 19' ' ' TYR . 11.2 m-85 -87.68 29.5 0.89 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.985 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -34.85 7.1 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 1.191 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -64.79 122.13 16.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 111.023 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -99.54 98.13 9.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.682 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.64 -170.05 16.05 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.565 1.166 . . . . 0.0 110.956 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -100.44 92.49 5.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 0.781 . . . . 0.0 110.285 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.942 HD12 ' CE2' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -69.3 108.18 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.265 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.417 ' NH1' ' HB2' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -154.4 117.61 4.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.995 HG13 ' OE2' ' A' ' 54' ' ' GLU . 7.5 p -65.91 100.4 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -89.87 -49.59 6.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 1.122 ' CE2' HG13 ' A' ' 55' ' ' VAL . 36.6 p90 -128.15 87.12 2.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 111.032 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.685 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 64.3 p -73.01 110.53 7.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 109.976 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 1.066 HG23 HD23 ' A' ' 81' ' ' LEU . 1.3 t -86.08 160.74 19.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.394 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.616 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 0.6 OUTLIER -100.79 136.85 39.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.664 ' CG1' HD11 ' A' ' 35' ' ' ILE . 1.6 t -72.8 129.54 35.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.52 ' O ' ' N ' ' A' ' 50' ' ' GLY . 3.3 t -81.23 178.68 8.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.374 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.433 ' N ' ' OG1' ' A' ' 32' ' ' THR . 4.2 t -81.26 -16.19 53.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 110.4 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.9 t -97.46 14.07 27.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 0.0 109.99 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.694 HG21 ' CA ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -70.22 171.72 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 109.315 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.897 HG22 ' CZ3' ' A' ' 40' ' ' TRP . 3.4 t -69.05 117.7 11.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 110.365 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.52 -27.99 5.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.974 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.43 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 5.4 ptpp? -103.4 -47.69 4.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.565 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -67.78 123.8 21.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.137 . . . . 0.0 109.295 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.897 ' CZ3' HG22 ' A' ' 36' ' ' THR . 7.1 m95 -143.74 129.65 19.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 108.022 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -118.63 158.96 14.57 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.567 1.167 . . . . 0.0 111.02 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.3 t -56.46 -34.47 66.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.544 0.79 . . . . 0.0 110.429 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.633 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 6.9 mtm180 -96.67 6.11 49.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.13 . . . . 0.0 110.298 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.65 162.68 13.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.87 HD22 ' CG1' ' A' ' 47' ' ' VAL . 6.2 tp -98.03 154.54 17.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.609 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 5.6 tt0 -88.98 31.64 0.85 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 110.344 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.87 ' CG1' HD22 ' A' ' 45' ' ' LEU . 21.5 m -64.3 160.97 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.133 . . . . 0.0 109.313 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.54 156.68 45.73 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.694 ' CA ' HG21 ' A' ' 35' ' ' ILE . 18.3 Cg_endo -74.98 125.48 9.36 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.528 1.804 . . . . 0.0 111.023 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 32' ' ' THR . . . 100.52 13.91 33.99 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.652 ' O ' HG22 ' A' ' 31' ' ' VAL . 3.3 tt0 -109.66 172.41 6.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 0.778 . . . . 0.0 110.279 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -109.95 131.67 54.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.976 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 1.074 HD22 ' O ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -139.83 152.94 46.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.268 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.995 ' OE2' HG13 ' A' ' 25' ' ' VAL . 3.8 mt-10 -79.22 132.88 36.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.115 . . . . 0.0 110.329 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 1.122 HG13 ' CE2' ' A' ' 27' ' ' TYR . 2.5 t -104.24 127.13 58.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.342 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.96 HG21 ' H ' ' A' ' 57' ' ' GLN . 5.2 mt -92.78 -137.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.96 ' H ' HG21 ' A' ' 56' ' ' ILE . 29.2 mm100 -94.27 154.97 17.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.282 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.561 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 4.5 p -67.27 121.26 15.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 110.374 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.502 ' HB ' ' CG ' ' A' ' 63' ' ' LYS . 1.2 m -54.01 -75.35 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.093 . . . . 0.0 110.42 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.417 ' CG ' ' N ' ' A' ' 61' ' ' ASP . 4.1 t0 -105.56 -91.61 0.39 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.417 ' N ' ' CG ' ' A' ' 60' ' ' ASP . 0.5 OUTLIER -117.35 -57.39 2.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.479 HG23 ' CD ' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -117.67 68.87 0.76 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 110.415 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.678 ' HZ2' ' HB3' ' A' ' 75' ' ' TYR . 2.5 tppp? -154.83 130.03 9.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.357 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.746 HG11 ' HH ' ' A' ' 27' ' ' TYR . 8.0 m -120.21 127.37 75.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.816 ' CD2' HD11 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -87.61 129.17 35.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.79 ' SG ' HD21 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -90.76 157.6 17.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 108.299 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.721 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -134.57 145.26 48.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 110.32 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -119.02 133.65 55.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 33.8 tp10 -54.37 -18.06 3.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.303 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -76.66 -4.34 42.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.312 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 88.61 11.61 65.8 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.511 1.132 . . . . 0.0 110.967 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.3 ttpt -102.25 123.45 46.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 0.757 . . . . 0.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.942 ' CE2' HD12 ' A' ' 23' ' ' ILE . 4.8 m-85 -105.86 160.07 15.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.468 ' HA3' HD12 ' A' ' 45' ' ' LEU . . . -157.0 159.33 29.55 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.889 ' CZ ' ' CE2' ' A' ' 17' ' ' PHE . 2.8 m-85 -102.53 153.19 20.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 0.743 . . . . 0.0 111.064 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.454 ' O ' ' CD ' ' A' ' 63' ' ' LYS . 2.2 t -142.42 124.97 13.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.505 HD22 ' H ' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -74.21 143.14 45.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 109.328 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.505 ' H ' HD22 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -56.58 -21.07 24.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.142 . . . . 0.0 110.316 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.405 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 11.6 t -49.7 -59.42 3.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.034 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.723 ' CE1' ' CG2' ' A' ' 36' ' ' THR . 18.8 p90 -116.31 80.36 1.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 111.013 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 1.158 HD21 ' N ' ' A' ' 82' ' ' ALA . 0.3 OUTLIER -166.68 142.37 4.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 109.296 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 1.158 ' N ' HD21 ' A' ' 81' ' ' LEU . . . -53.46 168.07 0.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.974 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.918 ' CE2' ' CD2' ' A' ' 17' ' ' PHE . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.498 0.189 . . . . 0.0 110.981 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.527 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 1.7 ttp-105 -59.62 -28.34 67.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.61 -59.16 5.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.473 ' CG ' ' HD3' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -85.05 -29.81 24.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 1.195 ' O ' ' N ' ' A' ' 19' ' ' TYR . 9.5 m-85 -88.02 29.54 0.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 111.033 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -34.96 6.91 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 1.195 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -65.36 122.73 17.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.971 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -101.58 98.02 8.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.675 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.47 -170.32 16.22 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -100.55 92.67 5.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 0.769 . . . . 0.0 110.255 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.865 HG12 HD12 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -70.74 108.54 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -154.56 121.24 5.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 110.325 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 1.107 HG23 ' CG ' ' A' ' 54' ' ' GLU . 3.6 p -66.61 99.55 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.29 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.08 -48.0 7.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 1.028 ' CE2' HG13 ' A' ' 55' ' ' VAL . 37.5 p90 -126.45 88.51 2.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.612 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 13.5 t -73.65 109.67 7.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 109.982 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.79 HG23 HD23 ' A' ' 81' ' ' LEU . 0.7 OUTLIER -93.68 161.37 14.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.405 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.8 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 0.1 OUTLIER -101.93 139.24 37.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.69 HG22 ' O ' ' A' ' 51' ' ' GLU . 1.5 t -71.91 139.51 19.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.82 HG21 ' H ' ' A' ' 34' ' ' SER . 1.2 m -84.43 133.1 34.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.391 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.526 ' O ' ' HB2' ' A' ' 49' ' ' PRO . 5.9 t -47.53 -11.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.373 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.82 ' H ' HG21 ' A' ' 32' ' ' THR . 0.1 OUTLIER -104.15 15.5 28.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 110.043 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.75 HG21 ' CA ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -70.02 173.88 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.91 HG22 ' CZ3' ' A' ' 40' ' ' TRP . 5.4 t -68.61 119.63 13.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.401 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.445 ' OG ' ' HG3' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -116.31 -26.89 7.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.013 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.451 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -103.26 -49.07 3.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.326 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.478 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -66.69 124.89 24.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.91 ' CZ3' HG22 ' A' ' 36' ' ' THR . 8.1 m95 -144.25 140.03 29.0 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.402 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -119.65 160.81 14.37 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.477 1.111 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.3 m -58.17 -37.11 74.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 0.762 . . . . 0.0 110.382 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.621 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 1.2 mtm180 -98.12 9.72 42.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.245 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.402 ' CB ' ' H ' ' A' ' 41' ' ' GLY . 0.4 OUTLIER -101.97 162.62 12.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 109.332 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.893 HD22 ' CG1' ' A' ' 47' ' ' VAL . 6.7 tp -98.13 154.7 17.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.57 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 5.6 tt0 -88.92 32.74 0.8 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.281 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.893 ' CG1' HD22 ' A' ' 45' ' ' LEU . 22.1 m -64.04 153.06 7.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.54 156.43 35.9 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.276 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.75 ' CA ' HG21 ' A' ' 35' ' ' ILE . 18.2 Cg_endo -74.97 127.89 11.07 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.489 1.784 . . . . 0.0 110.972 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 97.55 12.19 48.63 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.69 ' O ' HG22 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -99.66 171.74 7.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 0.757 . . . . 0.0 110.285 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.3 p -131.73 126.32 34.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 110.031 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.945 HD23 ' HB3' ' A' ' 66' ' ' CYS . 0.0 OUTLIER -140.95 170.12 16.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 1.107 ' CG ' HG23 ' A' ' 25' ' ' VAL . 0.4 OUTLIER -77.01 132.2 38.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 110.285 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 1.028 HG13 ' CE2' ' A' ' 27' ' ' TYR . 2.1 t -103.53 132.76 49.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.97 HG21 ' H ' ' A' ' 57' ' ' GLN . 5.0 mt -91.62 -140.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.97 ' H ' HG21 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -96.77 157.57 15.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.276 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.603 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 8.1 p -67.91 127.98 34.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.087 . . . . 0.0 110.401 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.704 HG23 ' HD3' ' A' ' 63' ' ' LYS . 2.4 m -58.55 -75.63 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.388 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.407 ' CG ' ' N ' ' A' ' 61' ' ' ASP . 5.5 t0 -105.65 -92.15 0.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.407 ' N ' ' CG ' ' A' ' 60' ' ' ASP . 45.8 m-20 -117.91 -56.56 2.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.807 HG21 ' CB ' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -115.02 67.09 0.69 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.421 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.704 ' HD3' HG23 ' A' ' 59' ' ' THR . 18.4 tttp -158.69 131.15 6.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.424 1.077 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 1.042 ' O ' HG11 ' A' ' 76' ' ' VAL . 6.0 m -123.21 130.65 74.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.828 HD11 ' O ' ' A' ' 74' ' ' GLY . 12.3 tp -88.13 119.25 28.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.945 ' HB3' HD23 ' A' ' 53' ' ' LEU . 63.0 m -97.26 157.99 15.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.421 1.076 . . . . 0.0 108.272 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.649 ' HG3' ' CD2' ' A' ' 73' ' ' TYR . 3.5 ttp180 -134.4 144.86 48.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.262 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.632 ' OD1' HD23 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -119.08 140.56 49.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.438 ' C ' ' H ' ' A' ' 71' ' ' GLY . 1.4 tm-20 -54.92 -14.4 1.45 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.439 1.087 . . . . 0.0 110.274 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -59.12 -9.65 2.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.543 1.152 . . . . 0.0 110.303 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.438 ' H ' ' C ' ' A' ' 69' ' ' GLU . . . 86.13 15.02 65.57 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.494 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 5.0 tttt -122.86 156.03 35.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 0.79 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.813 ' CE2' HD12 ' A' ' 23' ' ' ILE . 26.6 m-85 -114.88 160.57 19.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 110.98 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.828 ' O ' HD11 ' A' ' 65' ' ' LEU . . . -156.26 158.86 28.98 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.509 1.131 . . . . 0.0 111.023 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.887 ' CD2' ' CZ ' ' A' ' 17' ' ' PHE . 2.4 m-85 -104.96 151.81 23.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 0.76 . . . . 0.0 110.983 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 1.042 HG11 ' O ' ' A' ' 64' ' ' VAL . 10.6 p -134.9 125.38 45.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 109.269 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.503 HD22 ' H ' ' A' ' 78' ' ' ARG . 0.1 OUTLIER -74.69 143.55 44.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.267 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.807 ' CB ' HG21 ' A' ' 62' ' ' THR . 0.0 OUTLIER -56.98 -23.48 46.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.277 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.6 t -50.04 -59.13 4.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.979 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.799 ' CE1' HG23 ' A' ' 36' ' ' THR . 8.5 p90 -117.37 80.29 1.47 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 1.175 HD21 ' N ' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -164.34 140.78 6.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.322 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 1.175 ' N ' HD21 ' A' ' 81' ' ' LEU . . . -55.08 171.77 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 0.0 109.328 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.419 ' CG ' ' H ' ' A' ' 8' ' ' LYS . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.419 ' H ' ' CG ' ' A' ' 7' ' ' GLU . 0.3 OUTLIER -63.18 -18.33 63.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.319 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -68.83 -27.77 66.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.309 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -62.49 -33.67 75.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.346 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.5 mptt -69.65 -31.59 69.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -68.92 -45.25 71.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.336 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.882 ' CE2' ' CD2' ' A' ' 17' ' ' PHE . 0.8 OUTLIER -69.04 -52.62 26.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.471 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 18.9 ttm180 -59.99 -28.16 67.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.288 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.48 ' CE ' ' HB2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -54.58 -59.49 4.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.48 ' HB2' ' CE ' ' A' ' 15' ' ' LYS . 29.8 tptt -85.13 -31.16 23.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 1.197 ' O ' ' N ' ' A' ' 19' ' ' TYR . 7.8 m-85 -87.58 29.69 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 110.979 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -35.53 7.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 1.197 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -64.07 122.43 16.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.979 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -101.51 98.11 8.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.68 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.43 -169.83 15.71 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -102.2 91.83 4.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 0.727 . . . . 0.0 110.291 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.893 HD12 ' CE2' ' A' ' 73' ' ' TYR . 0.3 OUTLIER -68.46 108.75 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.262 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -154.19 116.02 4.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.304 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 1.125 HG23 ' CG ' ' A' ' 54' ' ' GLU . 3.7 p -66.31 99.46 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.41 -47.52 7.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 1.107 ' CE2' HG13 ' A' ' 55' ' ' VAL . 31.9 p90 -125.81 88.59 2.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.983 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.62 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 96.8 p -71.83 111.2 6.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.983 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.858 HG23 HD13 ' A' ' 81' ' ' LEU . 1.6 t -90.36 161.14 15.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.381 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.848 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 6.6 mtpt -100.27 138.12 37.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.641 HG22 ' O ' ' A' ' 51' ' ' GLU . 2.1 t -71.26 118.01 15.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.808 HG21 ' H ' ' A' ' 34' ' ' SER . 1.3 m -74.68 134.35 41.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 110.352 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.524 ' O ' ' HB2' ' A' ' 49' ' ' PRO . 8.8 t -43.51 -19.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.414 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.808 ' H ' HG21 ' A' ' 32' ' ' THR . 1.5 p -89.93 14.01 13.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.022 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.676 HG21 ' CA ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -71.24 173.37 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.884 HG22 ' CZ3' ' A' ' 40' ' ' TRP . 1.9 t -70.74 119.8 15.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 110.385 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.75 -27.48 5.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 109.993 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.434 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 4.7 ptpp? -104.37 -47.67 4.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.598 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -67.41 124.54 23.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.884 ' CZ3' HG22 ' A' ' 36' ' ' THR . 6.1 m95 -144.4 128.24 17.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 107.999 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.401 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -118.17 159.75 14.13 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.538 1.149 . . . . 0.0 110.954 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.8 t -56.79 -36.03 69.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 0.768 . . . . 0.0 110.408 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.686 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 5.6 mtm105 -96.66 7.2 47.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 110.293 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.401 ' CB ' ' H ' ' A' ' 41' ' ' GLY . 0.3 OUTLIER -103.97 163.05 12.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 0.0 109.247 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 1.044 HD22 ' CG1' ' A' ' 47' ' ' VAL . 7.7 tp -97.53 149.7 21.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.593 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 5.2 tt0 -88.07 31.28 0.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.278 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 1.044 ' CG1' HD22 ' A' ' 45' ' ' LEU . 16.4 m -64.62 161.07 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.112 . . . . 0.0 109.278 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.46 156.22 42.57 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.676 ' CA ' HG21 ' A' ' 35' ' ' ILE . 18.3 Cg_endo -75.04 130.34 13.14 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.535 1.808 . . . . 0.0 110.998 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.54 10.54 47.14 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.459 1.1 . . . . 0.0 111.026 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.641 ' O ' HG22 ' A' ' 31' ' ' VAL . 0.7 OUTLIER -102.8 171.79 7.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 0.753 . . . . 0.0 110.296 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 26.9 t -126.76 129.93 49.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.995 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.779 HD13 ' O ' ' A' ' 67' ' ' ARG . 32.9 tp -140.26 165.25 27.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 1.125 ' CG ' HG23 ' A' ' 25' ' ' VAL . 0.6 OUTLIER -78.13 133.69 37.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.326 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 1.107 HG13 ' CE2' ' A' ' 27' ' ' TYR . 2.1 t -102.65 128.21 55.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.951 HG21 ' H ' ' A' ' 57' ' ' GLN . 3.5 mt -91.46 -138.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.951 ' H ' HG21 ' A' ' 56' ' ' ILE . 27.0 mm100 -94.49 156.56 16.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.326 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.638 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 7.1 p -67.36 122.44 17.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 110.433 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.474 ' HB ' ' HB3' ' A' ' 63' ' ' LYS . 1.1 m -54.24 -74.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.416 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.421 ' N ' HG21 ' A' ' 59' ' ' THR . 1.6 m-20 -104.64 -91.58 0.38 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -117.59 -57.35 2.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.319 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.471 ' O ' ' HB3' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -117.84 69.98 0.79 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.413 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.638 ' O ' ' HA ' ' A' ' 58' ' ' THR . 4.9 tttt -156.94 130.77 8.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.698 HG21 HD21 ' A' ' 81' ' ' LEU . 4.1 m -120.8 127.37 75.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.933 HD11 ' O ' ' A' ' 74' ' ' GLY . 0.7 OUTLIER -89.0 121.81 31.73 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.447 1.092 . . . . 0.0 109.318 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.769 ' HB3' HD22 ' A' ' 53' ' ' LEU . 21.8 m -91.43 155.47 18.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 108.356 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.779 ' O ' HD13 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -135.25 140.18 45.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 110.276 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.479 ' ND2' ' O ' ' A' ' 72' ' ' LYS . 0.4 OUTLIER -120.74 140.99 50.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.24 -12.35 0.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.276 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.438 ' H ' ' C ' ' A' ' 68' ' ' ASN . 2.0 tp10 -59.29 -11.31 3.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.42 13.92 67.06 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.547 1.154 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.479 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 0.0 OUTLIER -124.77 147.76 48.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 0.761 . . . . 0.0 109.282 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.893 ' CE2' HD12 ' A' ' 23' ' ' ILE . 10.0 m-85 -111.08 167.15 10.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.568 1.168 . . . . 0.0 110.995 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.933 ' O ' HD11 ' A' ' 65' ' ' LEU . . . -157.72 158.41 29.03 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.516 1.135 . . . . 0.0 110.972 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.893 ' CZ ' ' CE2' ' A' ' 17' ' ' PHE . 1.9 m-85 -105.42 153.93 21.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 0.778 . . . . 0.0 110.978 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.756 HG23 ' SG ' ' A' ' 66' ' ' CYS . 2.4 t -142.65 126.31 14.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.543 HD21 ' CD ' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -80.48 143.81 33.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.543 ' CD ' HD21 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -57.6 -22.14 43.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.56 -58.75 4.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.021 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.753 ' CE1' ' CG2' ' A' ' 36' ' ' THR . 20.1 p90 -117.88 83.79 2.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 0.0 111.003 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.865 HD11 ' H ' ' A' ' 82' ' ' ALA . 0.1 OUTLIER -165.91 173.6 10.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.865 ' H ' HD11 ' A' ' 81' ' ' LEU . . . -80.46 174.62 11.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.7 tmtm? -63.84 -13.75 47.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.446 ' HG2' ' CG ' ' A' ' 72' ' ' LYS . 0.1 OUTLIER -66.24 -32.35 73.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.289 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -61.99 -39.3 91.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.306 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.77 -31.17 67.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.422 ' O ' ' HB3' ' A' ' 15' ' ' LYS . 0.1 OUTLIER -73.2 -32.6 64.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.262 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.986 ' CE1' ' CD2' ' A' ' 17' ' ' PHE . 13.9 t80 -64.36 -51.71 61.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.987 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.9 ptt85 -59.82 -30.31 68.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 110.323 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.422 ' HB3' ' O ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -54.53 -58.6 6.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.254 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.494 ' CG ' ' HD3' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -84.25 -34.12 23.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 1.177 ' O ' ' N ' ' A' ' 19' ' ' TYR . 10.7 m-85 -87.96 27.63 1.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -36.01 8.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.346 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 1.177 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -63.75 122.12 15.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.115 . . . . 0.0 111.003 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -100.74 98.33 8.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.683 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.15 -169.68 15.4 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -100.87 91.95 4.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 0.745 . . . . 0.0 110.311 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.943 HD12 ' CE2' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -68.58 108.43 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -154.85 119.3 4.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.28 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 1.078 HG23 ' CG ' ' A' ' 54' ' ' GLU . 7.4 p -66.81 100.33 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -90.41 -49.19 6.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.234 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 1.103 ' CE2' HG13 ' A' ' 55' ' ' VAL . 30.6 p90 -126.67 88.28 2.8 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.513 1.133 . . . . 0.0 111.048 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.635 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 78.8 p -72.09 111.4 7.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.991 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.824 HG23 HD13 ' A' ' 81' ' ' LEU . 1.7 t -91.59 161.31 14.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.412 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.847 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -100.06 138.66 36.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.677 HG22 ' O ' ' A' ' 51' ' ' GLU . 2.0 t -71.51 123.88 26.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.812 HG21 ' H ' ' A' ' 34' ' ' SER . 1.3 m -78.19 134.46 37.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.358 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.538 ' O ' ' HB2' ' A' ' 49' ' ' PRO . 14.5 t -44.57 -17.85 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 110.427 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.812 ' H ' HG21 ' A' ' 32' ' ' THR . 0.1 OUTLIER -93.4 14.0 19.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.999 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.69 HG21 ' CA ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -70.66 173.57 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.877 HG22 ' CZ3' ' A' ' 40' ' ' TRP . 2.0 t -70.16 119.14 13.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 110.394 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.435 ' HB3' ' CD ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -118.29 -26.93 6.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.999 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.43 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 4.5 ptpt -104.6 -47.45 4.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.607 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -67.62 124.54 23.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.335 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.877 ' CZ3' HG22 ' A' ' 36' ' ' THR . 5.8 m95 -144.6 125.23 14.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 108.02 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.42 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -116.16 160.1 13.54 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.501 1.126 . . . . 0.0 111.046 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.7 t -56.5 -36.25 68.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 0.743 . . . . 0.0 110.406 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.667 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 5.1 mtm180 -95.72 6.9 47.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.341 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.489 ' OD1' ' O ' ' A' ' 75' ' ' TYR . 0.4 OUTLIER -104.58 161.8 13.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 1.024 HD22 ' CG1' ' A' ' 47' ' ' VAL . 7.1 tp -97.24 151.43 19.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.575 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 5.5 tt0 -88.05 30.78 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.323 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 1.024 ' CG1' HD22 ' A' ' 45' ' ' LEU . 17.9 m -64.57 160.35 3.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.427 1.079 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.63 154.97 44.55 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.69 ' CA ' HG21 ' A' ' 35' ' ' ILE . 18.4 Cg_endo -75.0 130.49 13.32 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.523 1.801 . . . . 0.0 111.01 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.22 10.48 48.33 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.469 1.106 . . . . 0.0 110.998 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.677 ' O ' HG22 ' A' ' 31' ' ' VAL . 0.4 OUTLIER -104.33 172.27 6.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.571 0.806 . . . . 0.0 110.334 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.05 129.41 50.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.984 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.802 HD13 ' O ' ' A' ' 67' ' ' ARG . 29.1 tp -139.73 164.13 30.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 1.078 ' CG ' HG23 ' A' ' 25' ' ' VAL . 0.6 OUTLIER -77.72 132.75 38.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.303 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 1.103 HG13 ' CE2' ' A' ' 27' ' ' TYR . 2.1 t -102.23 129.54 53.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.94 HG21 ' H ' ' A' ' 57' ' ' GLN . 3.6 mt -91.97 -137.91 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.94 ' H ' HG21 ' A' ' 56' ' ' ILE . 13.2 tt0 -95.02 156.69 16.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 110.276 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.651 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 7.6 p -67.55 122.8 18.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.39 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.487 ' OG1' ' CE1' ' A' ' 75' ' ' TYR . 1.1 m -54.67 -74.1 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.12 . . . . 0.0 110.388 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.451 ' N ' HG21 ' A' ' 59' ' ' THR . 6.7 t0 -104.58 -92.01 0.37 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.426 ' N ' ' CG ' ' A' ' 60' ' ' ASP . 33.5 m-20 -117.97 -56.68 2.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.539 HG23 ' HD3' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -117.56 69.44 0.77 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.409 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.832 ' HZ1' ' N ' ' A' ' 77' ' ' LEU . 4.1 tttt -157.29 131.12 8.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.681 HG21 HD21 ' A' ' 81' ' ' LEU . 2.9 m -122.15 127.39 75.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 109.349 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.832 HD23 HD11 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -89.19 123.58 33.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.775 ' SG ' HG23 ' A' ' 76' ' ' VAL . 35.0 m -89.34 158.27 17.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 108.321 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.802 ' O ' HD13 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -133.66 145.47 49.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.508 ' OD1' HD23 ' A' ' 45' ' ' LEU . 4.9 m120 -111.34 136.37 50.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.81 -18.74 5.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 110.292 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -77.16 -4.25 43.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 87.98 21.44 46.2 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.49 1.119 . . . . 0.0 110.982 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.446 ' CG ' ' HG2' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -106.28 123.87 48.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 0.732 . . . . 0.0 109.312 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.943 ' CE2' HD12 ' A' ' 23' ' ' ILE . 15.4 m-85 -106.64 154.63 20.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 111.006 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.839 ' HA3' HD12 ' A' ' 45' ' ' LEU . . . -157.1 160.5 30.48 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.511 1.132 . . . . 0.0 111.028 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.889 ' CZ ' ' CE2' ' A' ' 17' ' ' PHE . 3.1 m-85 -102.75 154.37 19.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 0.76 . . . . 0.0 111.006 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.775 HG23 ' SG ' ' A' ' 66' ' ' CYS . 2.6 t -142.74 125.54 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.832 ' N ' ' HZ1' ' A' ' 63' ' ' LYS . 0.2 OUTLIER -78.33 143.31 37.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.539 ' HD3' HG23 ' A' ' 62' ' ' THR . 0.0 OUTLIER -57.7 -21.53 41.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.335 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.464 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 14.4 t -49.99 -59.26 4.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 0.0 109.976 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.738 ' CE1' ' CG2' ' A' ' 36' ' ' THR . 19.8 p90 -117.76 83.62 2.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 111.011 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.872 HD11 ' H ' ' A' ' 82' ' ' ALA . 0.2 OUTLIER -165.41 172.89 11.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.872 ' H ' HD11 ' A' ' 81' ' ' LEU . . . -79.87 174.4 11.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.095 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.96 -12.76 57.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.332 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.421 ' OE1' ' O ' ' A' ' 70' ' ' GLU . 16.6 pt-20 -61.87 -42.99 99.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.556 1.16 . . . . 0.0 110.297 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -70.88 -37.55 73.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 110.289 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.8 mmtp -70.66 -36.86 73.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.253 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -60.34 -44.3 95.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.82 ' CE2' ' CD2' ' A' ' 17' ' ' PHE . 0.4 OUTLIER -68.47 -50.95 48.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.98 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.461 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -59.9 -29.34 68.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.401 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -54.3 -59.34 4.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.424 ' CG ' ' HD3' ' A' ' 43' ' ' ARG . 4.2 tptp -83.97 -32.84 24.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 1.202 ' O ' ' N ' ' A' ' 19' ' ' TYR . 9.9 m-85 -87.95 29.62 0.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.968 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -35.04 7.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.259 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 1.202 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -64.34 122.21 16.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 111.002 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -100.71 98.06 8.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.677 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.55 -169.55 15.51 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.507 1.129 . . . . 0.0 110.976 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -102.66 92.74 4.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 0.774 . . . . 0.0 110.264 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.842 HG12 HD12 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -65.61 107.93 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -155.11 116.59 4.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.336 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 1.12 HG23 ' CG ' ' A' ' 54' ' ' GLU . 6.4 p -65.82 99.59 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -90.95 -48.15 7.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 1.092 ' CE2' HG13 ' A' ' 55' ' ' VAL . 37.4 p90 -126.51 87.76 2.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.99 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.66 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 74.0 p -72.23 110.51 6.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.999 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.916 ' OG1' ' HB2' ' A' ' 82' ' ' ALA . 2.0 t -85.48 159.73 19.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 110.385 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.796 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 0.5 OUTLIER -102.26 135.6 43.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 109.329 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.686 ' CG1' HD11 ' A' ' 35' ' ' ILE . 1.8 t -75.73 123.04 30.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.778 HG22 ' H ' ' A' ' 34' ' ' SER . 13.6 t -76.68 178.34 6.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.396 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.405 ' HA ' ' HB2' ' A' ' 49' ' ' PRO . 3.8 t -80.94 -14.92 57.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.401 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.778 ' H ' HG22 ' A' ' 32' ' ' THR . 11.0 t -98.08 14.41 27.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.041 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.697 HG21 ' CA ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -69.66 171.96 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.891 HG22 ' CZ3' ' A' ' 40' ' ' TRP . 3.6 t -69.15 116.88 10.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.378 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.63 -27.53 5.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.951 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.44 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -103.4 -48.11 4.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.09 . . . . 0.0 109.326 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.569 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -67.78 124.22 22.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.891 ' CZ3' HG22 ' A' ' 36' ' ' THR . 7.0 m95 -143.75 129.38 19.19 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.418 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -118.58 159.31 14.42 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.546 1.154 . . . . 0.0 111.018 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.5 t -56.14 -35.63 67.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 0.743 . . . . 0.0 110.381 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.673 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 0.0 OUTLIER -96.2 6.76 48.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.418 ' CB ' ' H ' ' A' ' 41' ' ' GLY . 0.4 OUTLIER -104.43 163.13 12.66 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.487 1.117 . . . . 0.0 109.244 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.862 HD12 ' HA3' ' A' ' 74' ' ' GLY . 3.7 tp -98.52 153.82 18.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 0.0 109.342 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.585 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 6.9 tt0 -89.2 31.48 0.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.283 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.772 ' O ' ' CH2' ' A' ' 40' ' ' TRP . 30.3 m -64.5 161.44 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.28 157.51 43.63 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.697 ' CA ' HG21 ' A' ' 35' ' ' ILE . 18.2 Cg_endo -75.02 129.09 12.0 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.537 1.809 . . . . 0.0 110.987 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 32' ' ' THR . . . 100.85 10.94 41.78 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.52 1.138 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.565 ' O ' HG22 ' A' ' 31' ' ' VAL . 4.0 tt0 -105.9 171.31 7.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.431 0.724 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.5 p -126.07 130.07 50.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.032 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.78 HD22 ' CB ' ' A' ' 66' ' ' CYS . 58.4 tp -139.4 163.72 31.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 109.28 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 1.12 ' CG ' HG23 ' A' ' 25' ' ' VAL . 0.6 OUTLIER -78.3 134.08 37.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 110.286 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 1.092 HG13 ' CE2' ' A' ' 27' ' ' TYR . 2.2 t -103.94 130.46 54.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.957 HG21 ' H ' ' A' ' 57' ' ' GLN . 6.0 mt -91.64 -138.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.957 ' H ' HG21 ' A' ' 56' ' ' ILE . 27.7 mm100 -94.91 156.87 16.16 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.558 1.161 . . . . 0.0 110.269 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.624 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 4.4 p -67.7 123.33 20.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.367 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.486 ' OG1' ' CE1' ' A' ' 75' ' ' TYR . 1.3 m -55.11 -75.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.354 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.434 ' CG ' ' N ' ' A' ' 61' ' ' ASP . 5.9 t0 -104.78 -91.63 0.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.252 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.434 ' N ' ' CG ' ' A' ' 60' ' ' ASP . 0.2 OUTLIER -117.43 -57.08 2.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.47 HG21 ' CB ' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -117.47 68.74 0.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 110.406 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.624 ' O ' ' HA ' ' A' ' 58' ' ' THR . 2.5 tppt? -156.06 129.08 8.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.936 HG21 HD12 ' A' ' 81' ' ' LEU . 3.3 m -121.33 126.62 75.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.909 HD23 HD11 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -87.71 122.14 31.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.258 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.78 ' CB ' HD22 ' A' ' 53' ' ' LEU . 4.0 m -92.5 155.12 18.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 108.268 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.756 ' O ' HD13 ' A' ' 53' ' ' LEU . 0.8 OUTLIER -137.21 142.76 42.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.275 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.507 ' N ' ' OD1' ' A' ' 68' ' ' ASN . 0.4 OUTLIER -120.7 149.15 42.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.359 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.443 ' C ' ' H ' ' A' ' 71' ' ' GLY . 0.8 OUTLIER -54.51 -17.01 2.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 110.295 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.421 ' O ' ' OE1' ' A' ' 9' ' ' GLU . 8.1 tp10 -59.16 -9.3 1.98 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.443 ' H ' ' C ' ' A' ' 69' ' ' GLU . . . 79.07 20.01 71.13 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.5 1.125 . . . . 0.0 111.025 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.404 ' O ' ' OD1' ' A' ' 68' ' ' ASN . 0.1 OUTLIER -118.72 147.91 43.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 0.753 . . . . 0.0 109.299 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.751 ' HH ' HG23 ' A' ' 23' ' ' ILE . 15.7 m-85 -117.11 157.65 25.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.103 . . . . 0.0 110.997 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.862 ' HA3' HD12 ' A' ' 45' ' ' LEU . . . -157.85 159.8 30.21 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.924 ' CZ ' ' CE2' ' A' ' 17' ' ' PHE . 8.1 m-85 -103.33 153.75 20.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 0.76 . . . . 0.0 111.017 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.645 HG23 ' SG ' ' A' ' 66' ' ' CYS . 4.0 t -143.39 126.58 13.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.469 HD22 ' H ' ' A' ' 78' ' ' ARG . 0.1 OUTLIER -71.74 142.26 49.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.536 ' CZ ' ' O ' ' A' ' 78' ' ' ARG . 0.0 OUTLIER -58.78 -20.36 49.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 110.312 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.474 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 13.1 t -47.43 -57.82 4.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.966 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.736 ' CE1' ' CG2' ' A' ' 36' ' ' THR . 13.7 p90 -115.9 85.07 2.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.988 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.936 HD12 HG21 ' A' ' 64' ' ' VAL . 0.3 OUTLIER -162.68 178.29 8.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.916 ' HB2' ' OG1' ' A' ' 29' ' ' THR . . . -88.27 176.95 7.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 -179.954 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.326 -0.25 . . . . 0.0 110.326 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.469 ' HZ2' ' HA ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -83.63 -12.27 56.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.339 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.469 ' HA ' ' HZ2' ' A' ' 8' ' ' LYS . 8.8 tp10 -61.13 -24.81 66.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.28 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -60.36 -41.61 94.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.419 ' O ' ' HG2' ' A' ' 14' ' ' ARG . 17.3 mmtt -71.15 -32.57 69.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.478 ' O ' ' HB3' ' A' ' 15' ' ' LYS . 38.8 t70 -77.06 -31.0 55.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.984 ' CE1' ' CD2' ' A' ' 17' ' ' PHE . 26.2 t80 -60.72 -53.0 62.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 111.008 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.419 ' HG2' ' O ' ' A' ' 11' ' ' LYS . 6.8 ptm180 -60.02 -30.49 69.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.272 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.502 ' CE ' ' HB2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -54.29 -58.1 8.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.502 ' HB2' ' CE ' ' A' ' 15' ' ' LYS . 0.2 OUTLIER -84.67 -34.92 22.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 1.196 ' O ' ' N ' ' A' ' 19' ' ' TYR . 6.3 m-85 -88.38 27.57 1.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.082 . . . . 0.0 110.972 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 14' ' ' ARG . 0.3 OUTLIER -35.59 7.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.318 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 1.196 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -64.05 122.46 16.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.959 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.85 98.31 9.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.733 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -149.44 -169.92 16.41 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -102.59 92.64 4.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 0.756 . . . . 0.0 110.328 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.777 HD12 ' CE2' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -65.63 108.6 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.16 . . . . 0.0 109.266 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.74 144.28 22.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 110.336 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 1.009 HG13 ' HG2' ' A' ' 54' ' ' GLU . 75.2 t -95.57 100.15 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -92.46 -47.43 7.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 1.108 ' CE2' HG13 ' A' ' 55' ' ' VAL . 29.6 p90 -125.88 89.93 3.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.113 . . . . 0.0 111.011 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.663 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 79.5 p -72.03 111.7 7.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.017 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.744 HG23 HD13 ' A' ' 81' ' ' LEU . 1.0 OUTLIER -93.14 160.27 14.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.359 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.847 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 0.6 OUTLIER -101.45 138.94 37.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.429 1.081 . . . . 0.0 109.291 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.642 HG11 ' CB ' ' A' ' 35' ' ' ILE . 1.8 t -70.4 121.12 19.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.821 HG21 ' H ' ' A' ' 34' ' ' SER . 1.3 m -75.65 134.41 40.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.093 . . . . 0.0 110.425 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.549 ' O ' ' HB2' ' A' ' 49' ' ' PRO . 11.1 t -44.8 -16.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 110.428 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.821 ' H ' HG21 ' A' ' 32' ' ' THR . 0.2 OUTLIER -93.56 13.66 21.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.008 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.706 HG21 ' CA ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -71.1 173.29 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.921 HG22 ' CZ3' ' A' ' 40' ' ' TRP . 2.4 t -70.52 121.31 17.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.389 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.41 ' HB2' ' CD ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -118.93 -27.52 5.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.988 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.43 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 0.2 OUTLIER -104.53 -47.37 4.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.29 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.612 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -67.2 123.93 21.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.921 ' CZ3' HG22 ' A' ' 36' ' ' THR . 5.8 m95 -144.06 128.14 17.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 107.97 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -118.62 159.52 14.34 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.7 t -56.7 -36.32 69.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 0.787 . . . . 0.0 110.38 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.661 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 2.1 mtm180 -96.45 7.14 47.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.273 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -104.9 163.12 12.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 1.059 HD22 ' CG1' ' A' ' 47' ' ' VAL . 8.6 tp -97.75 148.13 23.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.547 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 2.5 tt0 -87.48 31.1 0.76 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 1.059 ' CG1' HD22 ' A' ' 45' ' ' LEU . 23.3 m -64.18 161.6 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.33 154.24 43.76 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.137 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.706 ' CA ' HG21 ' A' ' 35' ' ' ILE . 18.2 Cg_endo -75.05 131.02 13.77 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.514 1.797 . . . . 0.0 110.966 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 98.66 9.02 53.79 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.515 1.135 . . . . 0.0 110.993 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.605 ' O ' HG22 ' A' ' 31' ' ' VAL . 0.9 OUTLIER -100.7 171.59 7.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 0.768 . . . . 0.0 110.267 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.0 t -125.91 128.04 46.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.0 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.798 HD13 ' O ' ' A' ' 67' ' ' ARG . 51.7 tp -140.18 164.96 28.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 1.009 ' HG2' HG13 ' A' ' 25' ' ' VAL . 3.4 mt-10 -77.93 136.07 37.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 0.0 110.339 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 1.108 HG13 ' CE2' ' A' ' 27' ' ' TYR . 2.1 t -103.81 130.26 54.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.953 HG21 ' H ' ' A' ' 57' ' ' GLN . 7.9 mt -92.45 -138.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.953 ' H ' HG21 ' A' ' 56' ' ' ILE . 0.4 OUTLIER -95.47 156.56 16.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 110.278 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.602 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 3.4 p -67.55 123.26 19.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.438 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.499 ' HB ' ' CG ' ' A' ' 63' ' ' LYS . 1.1 m -54.81 -75.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.423 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.454 ' N ' HG21 ' A' ' 59' ' ' THR . 4.6 t0 -105.24 -91.33 0.39 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.414 ' N ' ' CG ' ' A' ' 60' ' ' ASP . 49.1 m-20 -117.37 -57.19 2.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.49 HG21 ' CB ' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -117.67 69.16 0.77 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.406 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.602 ' O ' ' HA ' ' A' ' 58' ' ' THR . 2.8 tppt? -156.32 129.48 8.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.678 HG21 HD21 ' A' ' 81' ' ' LEU . 3.2 m -120.96 126.19 74.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.85 ' CD2' HD11 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -89.53 121.69 31.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.752 ' SG ' HG23 ' A' ' 76' ' ' VAL . 31.0 m -92.08 157.03 16.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 108.324 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.798 ' O ' HD13 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -135.79 142.24 44.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.105 . . . . 0.0 110.32 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.482 ' ND2' ' O ' ' A' ' 72' ' ' LYS . 0.3 OUTLIER -120.95 143.69 48.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.78 -14.28 1.35 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 110.32 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.408 ' H ' ' C ' ' A' ' 68' ' ' ASN . 3.2 tp10 -59.6 -11.51 4.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 85.37 17.75 61.83 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.451 1.095 . . . . 0.0 111.028 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.527 ' CD ' HD13 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -124.54 150.34 45.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 0.754 . . . . 0.0 109.311 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.777 ' CE2' HD12 ' A' ' 23' ' ' ILE . 5.4 m-85 -115.97 164.88 13.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.893 ' HA3' HD12 ' A' ' 45' ' ' LEU . . . -157.16 159.24 29.53 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.551 1.157 . . . . 0.0 111.017 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.879 ' CE2' ' CE2' ' A' ' 17' ' ' PHE . 5.3 m-85 -104.95 151.7 23.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 0.762 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.752 HG23 ' SG ' ' A' ' 66' ' ' CYS . 2.1 t -138.15 124.76 26.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.452 HD22 ' H ' ' A' ' 78' ' ' ARG . 0.1 OUTLIER -76.83 142.07 40.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.317 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.49 ' CB ' HG21 ' A' ' 62' ' ' THR . 0.0 OUTLIER -57.35 -22.86 45.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.338 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.433 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 9.3 t -50.63 -59.06 4.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.004 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.753 ' CE1' ' CG2' ' A' ' 36' ' ' THR . 19.5 p90 -117.42 84.33 2.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 111.002 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.884 HD11 ' H ' ' A' ' 82' ' ' ALA . 0.1 OUTLIER -165.7 174.0 10.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.884 ' H ' HD11 ' A' ' 81' ' ' LEU . . . -80.4 173.66 12.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 -179.975 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.418 ' H ' ' HG2' ' A' ' 9' ' ' GLU . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.3 mttm -63.56 -12.37 32.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.418 ' HG2' ' H ' ' A' ' 7' ' ' GLU . 1.8 pt-20 -61.54 -39.21 90.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.247 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -68.69 -30.58 69.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 110.28 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.2 mmtt -66.78 -32.17 73.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -60.81 -43.18 98.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.844 ' CE2' ' CD2' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -67.71 -51.18 52.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.986 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.559 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 24.5 ttt180 -59.84 -28.93 67.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.324 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.48 -59.18 5.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 109.331 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.16 -30.81 25.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 1.189 ' O ' ' N ' ' A' ' 19' ' ' TYR . 10.1 m-85 -87.28 29.79 0.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 111.022 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -35.2 7.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.346 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 1.189 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -64.34 121.96 15.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 111.012 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -100.42 98.18 8.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.688 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.8 -170.1 16.21 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.534 1.146 . . . . 0.0 111.045 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -102.72 92.25 4.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 0.758 . . . . 0.0 110.284 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.88 HD12 ' CE2' ' A' ' 73' ' ' TYR . 0.2 OUTLIER -67.52 109.22 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? -153.38 115.28 4.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.293 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.97 HG13 ' HG2' ' A' ' 54' ' ' GLU . 66.2 t -67.27 100.26 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -92.68 -47.33 7.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.355 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 1.081 ' CE2' HG13 ' A' ' 55' ' ' VAL . 36.9 p90 -125.89 89.56 3.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 111.011 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.656 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 15.4 p -72.93 110.27 7.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.014 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.991 HG23 HD23 ' A' ' 81' ' ' LEU . 1.5 t -87.74 158.46 18.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 110.403 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.839 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 0.1 OUTLIER -105.41 137.23 43.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.266 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.689 ' CG1' HD11 ' A' ' 35' ' ' ILE . 1.7 t -72.63 142.09 15.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.667 HG22 ' H ' ' A' ' 34' ' ' SER . 10.5 t -94.36 -179.7 5.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.397 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.418 ' HA ' ' HB2' ' A' ' 49' ' ' PRO . 14.0 t -80.82 -23.75 38.96 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 110.408 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.667 ' H ' HG22 ' A' ' 32' ' ' THR . 24.1 t -91.17 13.6 16.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.996 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.689 HD11 ' CG1' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -70.54 171.97 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.899 HG22 ' CZ3' ' A' ' 40' ' ' TRP . 5.8 t -69.25 116.87 10.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 110.408 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.463 ' HB3' ' HD3' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -118.11 -27.49 6.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.019 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.427 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 0.8 OUTLIER -103.21 -47.25 4.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.534 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -68.13 123.43 20.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.899 ' CZ3' HG22 ' A' ' 36' ' ' THR . 8.3 m95 -143.48 132.26 22.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 108.016 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -117.82 158.37 14.68 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.485 1.115 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.4 m -56.23 -37.18 69.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 0.744 . . . . 0.0 110.407 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.634 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 7.4 mtm180 -96.75 7.25 47.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.333 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -103.69 162.96 12.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.143 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.999 HD22 ' CG1' ' A' ' 47' ' ' VAL . 4.7 tp -96.96 149.03 22.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.495 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 0.2 OUTLIER -88.98 33.6 0.79 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.286 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.999 ' CG1' HD22 ' A' ' 45' ' ' LEU . 22.3 m -62.95 159.69 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.1 157.97 35.6 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.606 ' CA ' HG21 ' A' ' 35' ' ' ILE . 18.2 Cg_endo -74.96 125.91 9.65 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.487 1.782 . . . . 0.0 111.025 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 32' ' ' THR . . . 100.5 11.99 39.71 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.516 1.135 . . . . 0.0 110.972 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.528 ' O ' HG22 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -101.25 172.69 6.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 0.766 . . . . 0.0 110.243 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.38 129.94 43.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 110.019 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.818 HD13 ' O ' ' A' ' 67' ' ' ARG . 45.3 tp -139.94 165.49 27.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.251 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.97 ' HG2' HG13 ' A' ' 25' ' ' VAL . 3.9 mt-10 -78.2 134.32 37.63 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 1.081 HG13 ' CE2' ' A' ' 27' ' ' TYR . 2.2 t -103.82 131.1 53.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.147 . . . . 0.0 109.303 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.957 HG21 ' H ' ' A' ' 57' ' ' GLN . 4.1 mt -93.15 -137.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.957 ' H ' HG21 ' A' ' 56' ' ' ILE . 29.7 mm100 -94.78 156.91 16.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.362 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.624 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 5.8 p -67.61 123.23 19.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.378 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.483 ' HB ' ' HB3' ' A' ' 63' ' ' LYS . 1.2 m -55.34 -74.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 110.401 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.443 ' CG ' ' N ' ' A' ' 61' ' ' ASP . 4.1 t70 -104.71 -91.72 0.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.443 ' N ' ' CG ' ' A' ' 60' ' ' ASP . 1.8 m-20 -117.49 -57.36 2.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.443 ' O ' ' HB3' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -117.68 69.56 0.78 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.398 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.624 ' O ' ' HA ' ' A' ' 58' ' ' THR . 5.5 tttt -157.13 129.21 7.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.44 ' CG2' ' HG ' ' A' ' 81' ' ' LEU . 5.3 m -119.87 126.81 75.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.884 HD11 ' O ' ' A' ' 74' ' ' GLY . 0.2 OUTLIER -88.61 121.86 31.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.789 ' SG ' HG23 ' A' ' 76' ' ' VAL . 32.8 m -91.37 157.21 17.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 108.323 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.818 ' O ' HD13 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -134.52 142.94 47.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 110.289 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.464 ' ND2' ' O ' ' A' ' 72' ' ' LYS . 0.5 OUTLIER -120.47 139.83 52.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.304 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.409 ' C ' ' H ' ' A' ' 71' ' ' GLY . 0.0 OUTLIER -55.53 -13.55 1.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.402 ' H ' ' C ' ' A' ' 68' ' ' ASN . 6.7 tp10 -59.41 -10.24 3.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.303 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.409 ' H ' ' C ' ' A' ' 69' ' ' GLU . . . 87.36 15.67 61.8 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.541 1.151 . . . . 0.0 111.034 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.464 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 0.1 OUTLIER -124.74 155.53 39.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 0.758 . . . . 0.0 109.306 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.88 ' CE2' HD12 ' A' ' 23' ' ' ILE . 6.9 m-85 -118.75 167.21 11.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.975 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.884 ' O ' HD11 ' A' ' 65' ' ' LEU . . . -158.17 157.8 28.62 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.541 1.151 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.899 ' CZ ' ' CE2' ' A' ' 17' ' ' PHE . 2.4 m-85 -104.96 151.79 23.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 0.764 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.789 HG23 ' SG ' ' A' ' 66' ' ' CYS . 2.2 t -139.07 125.65 24.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.164 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.545 HD22 ' H ' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -76.29 144.33 40.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.341 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.545 ' H ' HD22 ' A' ' 77' ' ' LEU . 0.1 OUTLIER -56.15 -22.53 29.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 110.324 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.54 -59.09 4.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.983 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.758 ' CE1' HG23 ' A' ' 36' ' ' THR . 9.8 p90 -117.42 81.06 1.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 111.033 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 1.078 HD12 ' O ' ' A' ' 82' ' ' ALA . 0.7 OUTLIER -163.66 144.68 8.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 1.078 ' O ' HD12 ' A' ' 81' ' ' LEU . . . -54.58 174.23 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -180.0 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.4 mmtt -83.59 -15.13 50.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.345 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.406 ' CB ' ' HB2' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -64.53 -25.48 68.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -60.84 -41.34 95.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.301 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -70.32 -29.45 66.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.439 ' O ' ' HB3' ' A' ' 15' ' ' LYS . 12.9 t70 -74.67 -31.86 62.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.848 ' CE2' ' CD2' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -64.46 -51.49 62.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 0.0 110.996 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.533 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 0.9 OUTLIER -59.97 -29.89 68.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.489 ' CE ' ' HB2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -54.51 -58.01 9.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.489 ' HB2' ' CE ' ' A' ' 15' ' ' LYS . 5.3 tptt -84.42 -31.87 24.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 1.218 ' O ' ' N ' ' A' ' 19' ' ' TYR . 10.1 m-85 -87.42 30.1 0.82 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.972 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -34.54 6.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 1.218 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -65.21 122.29 16.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.994 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -100.9 97.97 8.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.253 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.675 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.62 -169.67 15.66 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.511 1.132 . . . . 0.0 111.026 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -102.88 92.57 4.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 0.743 . . . . 0.0 110.322 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.933 HG12 HD12 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -67.08 108.47 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -154.78 118.48 4.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.336 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 1.135 HG23 ' CG ' ' A' ' 54' ' ' GLU . 6.6 p -65.62 98.86 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.3 -47.65 7.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 1.022 ' CE2' HG13 ' A' ' 55' ' ' VAL . 39.2 p90 -126.26 88.97 2.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 111.029 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.611 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 54.6 p -73.52 110.35 7.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.026 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 1.103 HG23 HD23 ' A' ' 81' ' ' LEU . 1.6 t -89.35 158.64 17.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.382 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.739 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 1.0 OUTLIER -103.15 137.47 41.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.698 ' CG1' HD11 ' A' ' 35' ' ' ILE . 1.7 t -72.96 146.33 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.15 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 50' ' ' GLY . 9.7 t -95.22 179.22 5.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 110.427 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.2 t -80.67 -25.26 38.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 110.426 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.2 t -91.47 14.34 15.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.976 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.698 HD11 ' CG1' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -70.08 171.98 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.904 HG22 ' CZ3' ' A' ' 40' ' ' TRP . 5.2 t -69.27 117.52 11.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.435 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.02 -27.92 5.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.992 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.424 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 2.4 ptpp? -102.68 -47.56 4.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.58 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -67.79 123.29 20.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.904 ' CZ3' HG22 ' A' ' 36' ' ' THR . 6.9 m95 -143.53 129.71 19.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 107.99 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.4 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -118.86 159.29 14.49 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.518 1.136 . . . . 0.0 110.965 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.2 t -56.38 -36.2 68.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 0.783 . . . . 0.0 110.437 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.64 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 8.6 mtm105 -97.06 7.51 46.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 110.305 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.4 ' CB ' ' H ' ' A' ' 41' ' ' GLY . 0.4 OUTLIER -104.02 163.15 12.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.931 HD22 ' CG1' ' A' ' 47' ' ' VAL . 6.6 tp -97.12 148.71 22.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.567 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 4.7 tt0 -88.21 31.38 0.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.313 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.931 ' CG1' HD22 ' A' ' 45' ' ' LEU . 34.2 m -64.27 160.29 3.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -111.79 158.55 36.31 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.269 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.631 ' CA ' HG21 ' A' ' 35' ' ' ILE . 18.4 Cg_endo -74.95 123.94 8.28 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.545 1.813 . . . . 0.0 111.024 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 32' ' ' THR . . . 100.79 14.6 31.3 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.477 1.111 . . . . 0.0 111.006 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.61 ' O ' HG22 ' A' ' 31' ' ' VAL . 0.9 OUTLIER -105.64 171.14 7.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 0.753 . . . . 0.0 110.265 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.4 p -131.99 129.44 40.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.024 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 1.019 HD23 ' CB ' ' A' ' 66' ' ' CYS . 0.0 OUTLIER -140.99 170.05 16.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 1.135 ' CG ' HG23 ' A' ' 25' ' ' VAL . 0.7 OUTLIER -77.61 134.82 38.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.325 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 1.022 HG13 ' CE2' ' A' ' 27' ' ' TYR . 2.1 t -106.27 134.4 47.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.982 HG21 ' H ' ' A' ' 57' ' ' GLN . 6.9 mt -92.72 -140.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.982 ' H ' HG21 ' A' ' 56' ' ' ILE . 25.8 mm-40 -96.98 158.2 15.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.142 . . . . 0.0 110.286 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.58 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 7.9 p -67.91 128.85 38.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.408 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.498 ' HB ' ' CG ' ' A' ' 63' ' ' LYS . 1.2 m -61.21 -75.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.407 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.427 ' CG ' ' N ' ' A' ' 61' ' ' ASP . 4.7 t0 -105.42 -92.64 0.37 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.427 ' N ' ' CG ' ' A' ' 60' ' ' ASP . 0.9 OUTLIER -117.64 -56.58 2.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.844 HG21 ' CB ' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -115.38 67.76 0.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 110.436 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.58 ' O ' ' HA ' ' A' ' 58' ' ' THR . 0.0 OUTLIER -157.9 130.15 7.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.33 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.496 ' CG2' ' HG ' ' A' ' 81' ' ' LEU . 17.2 m -124.2 124.75 69.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.779 HD11 ' O ' ' A' ' 74' ' ' GLY . 0.1 OUTLIER -90.11 121.22 31.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.332 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 1.019 ' CB ' HD23 ' A' ' 53' ' ' LEU . 4.9 m -98.93 160.94 13.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 108.303 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.694 ' HG3' ' CD2' ' A' ' 73' ' ' TYR . 0.9 OUTLIER -134.62 144.44 47.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 72' ' ' LYS . 0.2 OUTLIER -119.44 143.46 47.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.33 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.15 -14.5 1.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 110.258 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.41 ' N ' ' C ' ' A' ' 68' ' ' ASN . 2.4 tp10 -59.47 -11.97 5.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.253 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.55 21.04 58.94 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.455 1.097 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.457 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 0.0 OUTLIER -124.59 148.9 47.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 0.736 . . . . 0.0 109.311 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.817 ' CE2' HD12 ' A' ' 23' ' ' ILE . 27.7 m-85 -115.32 156.87 24.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.981 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.779 ' O ' HD11 ' A' ' 65' ' ' LEU . . . -157.45 160.05 30.26 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.48 1.113 . . . . 0.0 111.019 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.902 ' CZ ' ' CE2' ' A' ' 17' ' ' PHE . 8.4 m-85 -102.95 153.13 20.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 0.771 . . . . 0.0 110.977 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.791 HG23 ' SG ' ' A' ' 66' ' ' CYS . 1.8 t -133.93 124.12 46.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.464 HD22 ' H ' ' A' ' 78' ' ' ARG . 0.1 OUTLIER -74.1 141.87 45.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.844 ' CB ' HG21 ' A' ' 62' ' ' THR . 0.0 OUTLIER -56.55 -22.05 30.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 0.0 110.28 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.6 t -49.91 -59.44 3.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 110.028 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.725 ' CE1' HG23 ' A' ' 36' ' ' THR . 9.0 p90 -117.38 80.58 1.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 110.982 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 1.103 HD23 HG23 ' A' ' 29' ' ' THR . 0.5 OUTLIER -164.52 141.77 6.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 1.098 ' N ' HD21 ' A' ' 81' ' ' LEU . . . -55.08 174.53 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -62.98 -12.33 24.95 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.25 -26.43 67.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.308 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.92 -41.32 97.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.69 -32.83 70.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.436 ' O ' ' HB3' ' A' ' 15' ' ' LYS . 32.6 t70 -76.68 -31.7 57.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.997 ' CE1' ' CD2' ' A' ' 17' ' ' PHE . 18.5 t80 -61.88 -52.68 63.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 111.042 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.429 ' HG2' ' N ' ' A' ' 15' ' ' LYS . 2.4 ptm180 -59.29 -30.82 68.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.347 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.477 ' HZ1' ' HB2' ' A' ' 16' ' ' LYS . 0.2 OUTLIER -54.11 -58.2 8.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.477 ' HB2' ' HZ1' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -84.47 -33.76 23.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 1.184 ' O ' ' N ' ' A' ' 19' ' ' TYR . 15.1 m-85 -87.85 27.37 1.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -35.52 7.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 1.184 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -64.24 121.22 13.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 111.014 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -100.31 97.89 8.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.681 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -147.92 -170.32 15.85 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.528 1.142 . . . . 0.0 111.03 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -99.79 92.41 5.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 0.758 . . . . 0.0 110.277 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.936 HD12 ' CE2' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -68.85 107.98 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.308 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.19 121.51 5.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.345 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 1.083 HG23 ' CG ' ' A' ' 54' ' ' GLU . 6.0 p -67.26 100.79 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.35 -49.95 6.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 1.084 ' CE2' HG13 ' A' ' 55' ' ' VAL . 34.6 p90 -127.44 88.31 2.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.648 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 59.4 p -73.7 110.92 8.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.987 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.753 ' OG1' ' HB2' ' A' ' 82' ' ' ALA . 1.8 t -88.15 161.49 17.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 110.427 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.544 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 0.5 OUTLIER -101.32 137.4 39.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.732 HG22 ' O ' ' A' ' 51' ' ' GLU . 1.9 t -73.12 134.04 30.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.815 HG21 ' H ' ' A' ' 34' ' ' SER . 1.3 m -84.53 135.24 34.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.108 . . . . 0.0 110.378 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.521 ' O ' ' HB2' ' A' ' 49' ' ' PRO . 12.8 t -47.39 -11.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.098 . . . . 0.0 110.364 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.815 ' H ' HG21 ' A' ' 32' ' ' THR . 1.1 p -103.51 15.77 28.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.972 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.774 HG21 ' CA ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -69.88 175.47 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.303 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.908 HG22 ' CZ3' ' A' ' 40' ' ' TRP . 4.2 t -69.28 118.99 12.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.368 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.412 ' HB3' ' CD ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -117.91 -26.57 6.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.02 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.438 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 2.0 ptmm? -103.91 -47.84 4.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.547 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -67.71 123.9 21.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.908 ' CZ3' HG22 ' A' ' 36' ' ' THR . 7.2 m95 -144.23 129.37 18.65 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.406 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -117.55 158.94 14.34 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.512 1.132 . . . . 0.0 110.983 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.2 m -56.07 -35.62 67.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 0.778 . . . . 0.0 110.388 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.707 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 29.0 mtm180 -95.68 5.36 51.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 110.273 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.406 ' CB ' ' H ' ' A' ' 41' ' ' GLY . 0.4 OUTLIER -103.58 161.83 13.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.867 HD22 ' CG1' ' A' ' 47' ' ' VAL . 7.3 tp -97.63 152.35 19.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.262 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.581 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 6.7 tt0 -87.6 31.53 0.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.308 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.867 ' CG1' HD22 ' A' ' 45' ' ' LEU . 35.0 m -63.91 159.8 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.02 155.41 41.74 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.774 ' CA ' HG21 ' A' ' 35' ' ' ILE . 18.2 Cg_endo -75.01 128.96 11.89 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.519 1.799 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 98.22 11.06 50.07 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.501 1.125 . . . . 0.0 110.978 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.732 ' O ' HG22 ' A' ' 31' ' ' VAL . 0.5 OUTLIER -103.58 172.48 6.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 0.763 . . . . 0.0 110.327 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.43 ' HB3' ' CG ' ' A' ' 30' ' ' LYS . 0.9 OUTLIER -124.88 129.59 50.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.983 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.802 HD13 ' O ' ' A' ' 67' ' ' ARG . 31.2 tp -139.36 164.51 29.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.082 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 1.083 ' CG ' HG23 ' A' ' 25' ' ' VAL . 0.7 OUTLIER -78.39 132.0 37.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.315 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 1.084 HG13 ' CE2' ' A' ' 27' ' ' TYR . 2.3 t -102.69 129.09 54.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.951 HG21 ' H ' ' A' ' 57' ' ' GLN . 4.3 mt -92.33 -138.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.951 ' H ' HG21 ' A' ' 56' ' ' ILE . 19.7 mm-40 -94.36 157.24 16.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.27 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.679 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 8.3 p -67.67 123.75 21.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 110.423 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.555 ' OG1' ' CE1' ' A' ' 75' ' ' TYR . 1.3 m -54.96 -74.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.375 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -104.58 -91.17 0.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -117.27 -57.57 2.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.56 HG23 ' CD ' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -117.53 69.13 0.76 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 110.359 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.679 ' O ' ' HA ' ' A' ' 58' ' ' THR . 0.1 OUTLIER -157.35 129.76 7.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.913 HG21 HD12 ' A' ' 81' ' ' LEU . 3.6 m -120.57 128.26 76.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.895 HD23 HD11 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -87.48 124.52 33.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.368 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.731 ' SG ' HG23 ' A' ' 76' ' ' VAL . 14.0 m -89.56 158.49 17.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 108.309 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.802 ' O ' HD13 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -134.43 146.94 50.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.267 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.628 ' OD1' HD23 ' A' ' 45' ' ' LEU . 6.4 m120 -113.17 139.89 48.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -53.93 -18.65 3.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 110.329 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -79.46 -4.54 51.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 88.51 17.78 56.31 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.549 1.156 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.458 ' HE3' HD13 ' A' ' 45' ' ' LEU . 14.7 ttpt -96.4 124.69 40.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.765 . . . . 0.0 109.272 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.936 ' CE2' HD12 ' A' ' 23' ' ' ILE . 12.4 m-85 -111.89 151.6 28.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 111.008 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.549 ' HA3' HD12 ' A' ' 45' ' ' LEU . . . -159.37 161.76 32.35 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.529 1.143 . . . . 0.0 110.973 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.921 ' CZ ' ' CE2' ' A' ' 17' ' ' PHE . 10.1 m-85 -101.26 154.19 18.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.76 . . . . 0.0 111.006 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.731 HG23 ' SG ' ' A' ' 66' ' ' CYS . 4.0 t -143.11 126.42 13.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.462 HD22 ' H ' ' A' ' 78' ' ' ARG . 0.1 OUTLIER -72.84 142.03 47.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.335 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.56 ' CD ' HG23 ' A' ' 62' ' ' THR . 0.0 OUTLIER -57.31 -19.42 22.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.331 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.43 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 21.8 t -47.03 -58.24 4.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.104 . . . . 0.0 110.031 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.664 ' CE1' HG23 ' A' ' 36' ' ' THR . 7.5 p90 -116.56 84.22 2.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 111.009 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.913 HD12 HG21 ' A' ' 64' ' ' VAL . 0.3 OUTLIER -162.98 176.58 9.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.803 ' H ' HD22 ' A' ' 81' ' ' LEU . . . -89.87 173.97 7.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.982 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.9 mtmm -83.04 -12.82 56.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -61.92 -25.9 67.86 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 110.311 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -67.27 -31.86 72.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.271 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.528 ' O ' ' CG ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -67.1 -31.4 71.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.712 ' O ' ' HG3' ' A' ' 15' ' ' LYS . 64.7 t0 -60.01 -39.93 87.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.846 ' CE2' ' CD2' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -82.38 -49.99 9.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.565 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 7.9 ttt180 -58.27 -36.99 74.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.315 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.712 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -51.78 -57.41 9.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.317 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.412 ' N ' ' HD3' ' A' ' 15' ' ' LYS . 1.2 tptp -82.37 -35.48 27.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 1.19 ' O ' ' N ' ' A' ' 19' ' ' TYR . 9.2 m-85 -87.41 30.59 0.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -35.57 8.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.256 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 1.19 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -63.26 122.01 15.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -100.31 98.16 8.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.258 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.689 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.31 -169.82 15.63 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.496 1.122 . . . . 0.0 110.976 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -102.26 92.26 4.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 0.781 . . . . 0.0 110.315 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.947 HD12 ' CE2' ' A' ' 73' ' ' TYR . 0.4 OUTLIER -69.98 109.14 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.352 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.14 131.67 12.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.314 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.484 ' O ' HG12 ' A' ' 25' ' ' VAL . 7.6 p -74.16 98.12 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.65 -49.2 6.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 1.123 ' CE2' HG13 ' A' ' 55' ' ' VAL . 27.7 p90 -130.64 87.96 2.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 0.0 111.054 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.526 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 38.6 p -71.2 110.99 6.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.97 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.744 HG21 ' CG2' ' A' ' 55' ' ' VAL . 1.2 t -92.13 161.18 14.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.394 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.807 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -101.1 138.74 37.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.165 . . . . 0.0 109.319 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.647 HG22 ' O ' ' A' ' 51' ' ' GLU . 2.1 t -70.52 120.3 18.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.767 HG21 ' H ' ' A' ' 34' ' ' SER . 1.2 m -75.53 133.34 41.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.43 1.081 . . . . 0.0 110.351 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.553 ' O ' ' HB2' ' A' ' 49' ' ' PRO . 14.2 t -43.07 -20.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 110.428 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.767 ' H ' HG21 ' A' ' 32' ' ' THR . 0.2 OUTLIER -89.69 13.77 13.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.984 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.682 ' N ' ' O ' ' A' ' 32' ' ' THR . 0.0 OUTLIER -71.32 173.55 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.102 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.909 HG22 ' CZ3' ' A' ' 40' ' ' TRP . 2.4 t -70.77 120.25 16.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.404 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.68 -27.62 5.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 110.021 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.434 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -104.42 -47.81 4.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.259 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.568 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -67.35 124.97 24.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.909 ' CZ3' HG22 ' A' ' 36' ' ' THR . 6.5 m95 -144.58 129.61 18.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 108.026 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -118.6 159.68 14.28 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.502 1.126 . . . . 0.0 110.991 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.4 t -56.81 -35.81 69.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 0.745 . . . . 0.0 110.349 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.656 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 9.2 mtm180 -96.49 6.83 47.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.81 162.74 12.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.34 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.89 HD12 ' HA3' ' A' ' 74' ' ' GLY . 6.1 tp -97.7 151.27 20.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.603 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 5.5 tt0 -88.07 31.24 0.8 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.764 ' O ' ' CH2' ' A' ' 40' ' ' TRP . 19.3 m -64.19 159.97 3.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -111.87 155.61 42.97 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 109.357 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.665 ' CA ' HG21 ' A' ' 35' ' ' ILE . 18.3 Cg_endo -75.0 130.19 13.04 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.463 1.77 . . . . 0.0 110.984 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.06 11.78 44.85 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.647 ' O ' HG22 ' A' ' 31' ' ' VAL . 1.2 mt-10 -105.06 172.15 6.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 0.751 . . . . 0.0 110.283 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.1 t -125.4 130.3 51.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 110.033 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.771 HD13 ' O ' ' A' ' 67' ' ' ARG . 28.9 tp -139.47 166.71 23.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.572 ' O ' ' HA ' ' A' ' 66' ' ' CYS . 0.9 OUTLIER -78.2 132.47 37.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.278 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 1.123 HG13 ' CE2' ' A' ' 27' ' ' TYR . 2.2 t -102.68 126.58 56.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.944 HG21 ' H ' ' A' ' 57' ' ' GLN . 4.6 mt -91.4 -138.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.944 ' H ' HG21 ' A' ' 56' ' ' ILE . 29.1 mm100 -94.87 156.85 16.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.291 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.651 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 6.5 p -67.82 122.8 18.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.385 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.468 ' HB ' ' HB3' ' A' ' 63' ' ' LYS . 1.1 m -54.53 -74.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.434 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.459 ' N ' HG21 ' A' ' 59' ' ' THR . 1.0 OUTLIER -104.76 -91.45 0.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.095 . . . . 0.0 109.29 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -118.09 -56.82 2.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.606 HG21 ' CB ' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -117.92 69.82 0.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.404 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.66 ' HZ1' ' N ' ' A' ' 77' ' ' LEU . 4.0 tttt -157.34 130.49 7.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.697 HG21 HD21 ' A' ' 81' ' ' LEU . 3.9 m -121.09 127.77 75.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.923 HD11 ' O ' ' A' ' 74' ' ' GLY . 0.7 OUTLIER -88.79 122.44 32.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.343 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.769 ' SG ' HG23 ' A' ' 76' ' ' VAL . 30.4 m -91.79 156.69 17.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 108.269 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.771 ' O ' HD13 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -134.98 142.44 46.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.292 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.476 ' ND2' ' O ' ' A' ' 72' ' ' LYS . 0.3 OUTLIER -120.7 141.72 50.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.339 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -56.43 -13.11 2.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.336 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.405 ' H ' ' C ' ' A' ' 68' ' ' ASN . 3.7 tt0 -60.57 -9.52 3.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.281 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.4 14.02 66.92 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.499 1.125 . . . . 0.0 111.028 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.476 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 2.1 ttpm? -122.46 156.62 33.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 0.778 . . . . 0.0 109.322 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.947 ' CE2' HD12 ' A' ' 23' ' ' ILE . 7.0 m-85 -119.82 167.64 11.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 110.99 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.923 ' O ' HD11 ' A' ' 65' ' ' LEU . . . -157.34 158.61 29.08 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.501 1.126 . . . . 0.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.887 ' CZ ' ' CE2' ' A' ' 17' ' ' PHE . 2.0 m-85 -105.44 153.78 21.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 0.776 . . . . 0.0 110.956 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.769 HG23 ' SG ' ' A' ' 66' ' ' CYS . 2.3 t -142.52 125.92 14.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.66 ' N ' ' HZ1' ' A' ' 63' ' ' LYS . 0.2 OUTLIER -79.55 144.16 34.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.293 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.606 ' CB ' HG21 ' A' ' 62' ' ' THR . 0.0 OUTLIER -57.51 -21.98 41.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 110.266 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.451 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 14.6 t -50.44 -59.29 4.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 110.011 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.749 ' CE1' ' CG2' ' A' ' 36' ' ' THR . 21.2 p90 -117.42 83.99 2.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.967 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.857 HD11 ' H ' ' A' ' 82' ' ' ALA . 0.1 OUTLIER -166.42 173.3 10.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.576 1.173 . . . . 0.0 109.285 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.857 ' H ' HD11 ' A' ' 81' ' ' LEU . . . -76.42 174.11 10.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -73.94 -10.96 60.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -60.48 -24.58 65.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.286 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.449 ' O ' ' HB3' ' A' ' 13' ' ' PHE . 1.5 tm-20 -60.63 -41.83 95.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.592 ' O ' ' HD2' ' A' ' 15' ' ' LYS . 3.6 mmtp -73.06 -48.73 33.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.605 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 10.7 t70 -58.17 -29.3 65.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.934 ' CE2' ' CD2' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -62.5 -46.08 90.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 111.047 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.491 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 0.8 OUTLIER -59.27 -29.76 67.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.338 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.605 ' HB2' ' O ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -54.33 -60.23 3.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 109.299 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.464 ' HG2' ' CD ' ' A' ' 43' ' ' ARG . 19.9 tptt -82.73 -33.7 27.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.26 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 1.213 ' O ' ' N ' ' A' ' 19' ' ' TYR . 12.3 m-85 -88.98 27.98 1.26 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -34.96 6.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.348 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 1.213 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -64.75 122.76 17.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.975 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -101.64 97.97 8.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.147 . . . . 0.0 109.295 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.685 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.83 -170.02 16.15 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.43 1.081 . . . . 0.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -100.82 92.81 5.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 0.801 . . . . 0.0 110.335 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.836 HG12 HD12 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -65.72 107.32 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.418 ' O ' ' HG3' ' A' ' 24' ' ' ARG . 16.6 ptm180 -154.43 125.63 7.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.322 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 1.125 HG23 ' CG ' ' A' ' 54' ' ' GLU . 4.2 p -73.1 99.03 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.13 -47.89 7.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 1.099 ' CE2' HG13 ' A' ' 55' ' ' VAL . 33.2 p90 -126.79 87.52 2.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.629 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 86.0 p -71.91 111.26 7.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 110.032 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 1.029 HG23 HD23 ' A' ' 81' ' ' LEU . 1.8 t -89.47 158.39 17.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 110.359 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.879 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 0.4 OUTLIER -103.67 137.01 42.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.329 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.687 ' CG1' HD11 ' A' ' 35' ' ' ILE . 1.8 t -73.64 145.48 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.875 HG22 ' H ' ' A' ' 34' ' ' SER . 2.4 t -94.82 178.55 5.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 110.419 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.413 ' HA ' ' HB2' ' A' ' 49' ' ' PRO . 6.8 t -80.26 -24.55 40.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.386 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.875 ' H ' HG22 ' A' ' 32' ' ' THR . 20.6 t -91.75 14.48 15.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.046 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.687 HD11 ' CG1' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -70.23 172.21 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.905 HG22 ' CZ3' ' A' ' 40' ' ' TRP . 5.0 t -69.2 117.41 10.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.431 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.13 -28.33 5.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.977 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.424 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 13.6 pttp -103.53 -47.26 4.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.243 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.549 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -67.57 123.63 20.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.905 ' CZ3' HG22 ' A' ' 36' ' ' THR . 7.6 m95 -143.81 130.29 20.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 108.005 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.419 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -118.25 159.69 14.18 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.534 1.146 . . . . 0.0 110.987 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -56.51 -35.7 68.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 0.784 . . . . 0.0 110.385 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.633 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 6.0 mtm180 -96.79 7.23 47.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.419 ' CB ' ' H ' ' A' ' 41' ' ' GLY . 0.5 OUTLIER -104.43 162.06 13.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.863 HD22 ' CG1' ' A' ' 47' ' ' VAL . 4.2 tp -97.08 152.38 18.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.568 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 5.5 tt0 -88.74 31.59 0.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 110.352 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.863 ' CG1' HD22 ' A' ' 45' ' ' LEU . 27.1 m -64.0 161.3 2.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.69 158.26 39.35 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.645 ' CA ' HG21 ' A' ' 35' ' ' ILE . 18.3 Cg_endo -75.0 125.03 9.06 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.501 1.79 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 32' ' ' THR . . . 100.42 13.01 36.84 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.552 1.158 . . . . 0.0 110.997 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.602 ' O ' HG22 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -104.65 171.96 7.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 0.778 . . . . 0.0 110.339 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.22 129.74 43.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.013 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.787 HD13 ' O ' ' A' ' 67' ' ' ARG . 62.0 tp -139.97 166.07 25.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.352 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 1.125 ' CG ' HG23 ' A' ' 25' ' ' VAL . 0.8 OUTLIER -77.4 133.13 38.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 1.099 HG13 ' CE2' ' A' ' 27' ' ' TYR . 2.1 t -102.94 130.62 52.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.947 HG21 ' H ' ' A' ' 57' ' ' GLN . 5.3 mt -92.26 -137.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.947 ' H ' HG21 ' A' ' 56' ' ' ILE . 20.0 mm100 -94.61 157.01 16.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.362 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.615 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 3.1 p -67.41 122.92 19.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 110.432 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.642 ' OG1' ' CE1' ' A' ' 75' ' ' TYR . 1.4 m -54.78 -74.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.428 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.417 ' CG ' ' N ' ' A' ' 61' ' ' ASP . 5.8 t70 -104.9 -91.68 0.38 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.417 ' N ' ' CG ' ' A' ' 60' ' ' ASP . 42.2 m-20 -118.08 -56.77 2.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.665 HG21 ' CB ' ' A' ' 78' ' ' ARG . 0.6 OUTLIER -117.53 69.52 0.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.405 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.615 ' O ' ' HA ' ' A' ' 58' ' ' THR . 0.6 OUTLIER -158.23 129.78 6.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.269 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.521 HG21 ' HG ' ' A' ' 81' ' ' LEU . 3.8 m -120.82 126.84 75.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.86 HD23 HD11 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -88.72 121.72 31.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.873 ' SG ' HG23 ' A' ' 76' ' ' VAL . 35.6 m -93.71 155.39 17.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 108.263 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.787 ' O ' HD13 ' A' ' 53' ' ' LEU . 0.7 OUTLIER -136.27 143.25 44.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 110.334 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 72' ' ' LYS . 0.1 OUTLIER -120.22 145.95 46.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.94 -15.46 1.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 110.317 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.405 ' N ' ' C ' ' A' ' 68' ' ' ASN . 7.5 tp10 -59.48 -11.55 4.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 110.331 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 82.0 26.82 47.72 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.667 ' HZ2' ' HB3' ' A' ' 72' ' ' LYS . 2.1 ttpm? -124.08 146.47 48.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 0.753 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.73 ' HH ' HG23 ' A' ' 23' ' ' ILE . 35.8 m-85 -119.06 153.8 34.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.967 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.809 ' O ' HD11 ' A' ' 65' ' ' LEU . . . -158.2 161.6 31.72 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.889 ' CZ ' ' CE2' ' A' ' 17' ' ' PHE . 11.9 m-85 -102.96 153.64 20.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 0.752 . . . . 0.0 110.993 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.873 HG23 ' SG ' ' A' ' 66' ' ' CYS . 2.2 t -133.32 126.38 52.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.476 HD22 ' H ' ' A' ' 78' ' ' ARG . 0.1 OUTLIER -75.8 142.74 42.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.337 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.665 ' CB ' HG21 ' A' ' 62' ' ' THR . 0.0 OUTLIER -57.24 -22.89 44.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.27 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 17.6 t -48.94 -59.06 3.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.988 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.695 ' CE1' HG23 ' A' ' 36' ' ' THR . 6.4 p90 -117.9 80.3 1.49 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 111.013 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 1.069 HD12 ' O ' ' A' ' 82' ' ' ALA . 0.8 OUTLIER -163.23 143.74 9.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 109.344 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 1.069 ' O ' HD12 ' A' ' 81' ' ' LEU . . . -55.45 174.8 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.944 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.7 mtmm -63.09 -16.2 59.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.43 -42.12 45.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.262 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -70.01 -38.75 76.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 110.363 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.05 -37.66 85.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -62.63 -42.83 99.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.858 ' CE2' ' CD2' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -67.76 -52.06 41.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.128 . . . . 0.0 110.994 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.52 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 13.7 ttt180 -59.63 -28.47 67.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.426 ' CE ' ' HB2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -54.78 -59.07 5.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.265 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.426 ' HB2' ' CE ' ' A' ' 15' ' ' LYS . 1.3 tptt -84.61 -31.16 24.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 1.201 ' O ' ' N ' ' A' ' 19' ' ' TYR . 13.5 m-85 -86.93 29.56 0.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.981 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -34.87 7.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 1.201 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -65.3 121.87 15.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.972 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -100.12 98.09 8.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.689 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.68 -169.89 15.93 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.548 1.155 . . . . 0.0 111.021 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -103.19 92.37 4.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 0.788 . . . . 0.0 110.287 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.846 HG12 HD12 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -66.97 108.4 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.66 115.58 3.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.341 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.947 HG13 ' HG2' ' A' ' 54' ' ' GLU . 65.2 t -66.33 99.88 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.336 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.85 -47.31 7.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 1.067 ' CE2' HG13 ' A' ' 55' ' ' VAL . 38.4 p90 -125.84 89.79 3.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.987 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.64 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 14.4 t -74.38 110.52 8.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.011 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.899 HG23 HD23 ' A' ' 81' ' ' LEU . 1.4 t -90.49 159.95 16.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.398 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.779 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 4.3 mtmp? -103.15 137.76 40.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.667 ' CG1' HD11 ' A' ' 35' ' ' ILE . 1.8 t -71.09 144.32 13.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.617 HG22 ' H ' ' A' ' 34' ' ' SER . 8.0 t -94.14 179.33 5.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.449 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.8 t -80.53 -25.29 38.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 110.418 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.617 ' H ' HG22 ' A' ' 32' ' ' THR . 19.2 t -90.18 14.02 13.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.043 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.667 HD11 ' CG1' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -70.35 171.7 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.284 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.891 HG22 ' CZ3' ' A' ' 40' ' ' TRP . 4.3 t -69.12 117.59 10.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 110.429 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.85 -27.88 5.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 109.993 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.428 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 0.2 OUTLIER -103.39 -47.44 4.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.579 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -67.7 123.59 20.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.891 ' CZ3' HG22 ' A' ' 36' ' ' THR . 6.9 m95 -143.67 129.4 19.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 108.002 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.407 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -118.77 159.37 14.44 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.521 1.138 . . . . 0.0 110.95 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -56.41 -35.87 68.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 0.75 . . . . 0.0 110.402 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.655 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 10.0 mtm180 -96.78 7.08 47.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.443 1.089 . . . . 0.0 110.311 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.407 ' CB ' ' H ' ' A' ' 41' ' ' GLY . 0.4 OUTLIER -104.08 163.1 12.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 1.019 HD22 ' CG1' ' A' ' 47' ' ' VAL . 5.4 tp -97.34 150.49 20.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.6 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 5.4 tt0 -88.46 31.38 0.83 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 110.289 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 1.019 ' CG1' HD22 ' A' ' 45' ' ' LEU . 34.3 m -64.02 160.46 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.36 157.96 38.58 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.646 ' CA ' HG21 ' A' ' 35' ' ' ILE . 18.4 Cg_endo -75.02 124.77 8.86 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.486 1.782 . . . . 0.0 111.03 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 32' ' ' THR . . . 100.82 13.37 34.62 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.485 1.116 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.566 ' O ' HG22 ' A' ' 31' ' ' VAL . 0.5 OUTLIER -104.93 171.85 7.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 0.789 . . . . 0.0 110.286 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.21 130.07 48.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.989 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.763 HD13 ' O ' ' A' ' 67' ' ' ARG . 61.7 tp -140.25 165.8 26.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.947 ' HG2' HG13 ' A' ' 25' ' ' VAL . 3.5 mt-10 -77.73 134.37 38.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 1.067 HG13 ' CE2' ' A' ' 27' ' ' TYR . 2.2 t -104.16 130.16 55.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.942 HG21 ' H ' ' A' ' 57' ' ' GLN . 12.5 mt -91.92 -137.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.942 ' H ' HG21 ' A' ' 56' ' ' ILE . 11.6 tt0 -95.15 156.92 16.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.313 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.585 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 3.1 p -67.66 124.67 23.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 110.383 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.494 ' HB ' ' HB3' ' A' ' 63' ' ' LYS . 1.4 m -56.08 -74.88 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.538 1.148 . . . . 0.0 110.428 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -105.61 -91.52 0.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -117.98 -56.97 2.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.529 HG21 ' CB ' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -116.96 69.09 0.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.413 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.585 ' O ' ' HA ' ' A' ' 58' ' ' THR . 0.0 OUTLIER -158.13 129.69 6.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.277 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.515 HG21 ' HG ' ' A' ' 81' ' ' LEU . 3.8 m -121.59 126.21 74.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.358 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.875 HD11 ' O ' ' A' ' 74' ' ' GLY . 0.1 OUTLIER -89.49 121.25 31.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.791 ' SG ' HG23 ' A' ' 76' ' ' VAL . 34.6 m -90.14 158.6 17.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 108.299 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.763 ' O ' HD13 ' A' ' 53' ' ' LEU . 6.6 ttm180 -134.36 142.91 47.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.334 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.469 ' C ' ' H ' ' A' ' 70' ' ' GLU . 0.5 OUTLIER -121.03 142.51 49.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.347 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -57.3 -10.01 1.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 110.251 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.469 ' H ' ' C ' ' A' ' 68' ' ' ASN . 3.5 tp10 -61.06 -9.32 4.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 110.343 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 85.82 14.32 67.75 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.498 1.124 . . . . 0.0 111.032 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.94 156.95 37.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 0.789 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.829 ' CE2' HD12 ' A' ' 23' ' ' ILE . 4.5 m-85 -119.56 166.23 13.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 111.023 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.875 ' O ' HD11 ' A' ' 65' ' ' LEU . . . -157.75 158.7 29.29 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.525 1.141 . . . . 0.0 111.004 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.893 ' CZ ' ' CE2' ' A' ' 17' ' ' PHE . 4.5 m-85 -104.31 154.53 19.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 0.77 . . . . 0.0 110.985 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.791 HG23 ' SG ' ' A' ' 66' ' ' CYS . 2.2 t -140.16 125.52 20.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.498 HD22 ' H ' ' A' ' 78' ' ' ARG . 0.1 OUTLIER -77.02 143.85 39.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.529 ' CB ' HG21 ' A' ' 62' ' ' THR . 0.0 OUTLIER -56.99 -23.13 43.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.289 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.63 -59.68 3.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.987 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.737 ' CE1' HG23 ' A' ' 36' ' ' THR . 18.6 p90 -117.98 79.93 1.44 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 110.971 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 1.186 HD21 ' N ' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -165.25 140.46 5.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 1.186 ' N ' HD21 ' A' ' 81' ' ' LEU . . . -53.96 171.28 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.238 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.433 0 O-C-N 124.45 1.094 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.9 mttp -66.61 -24.13 66.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -62.37 -27.55 69.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.41 -31.45 72.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.273 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.2 mtmt -61.22 -30.83 70.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -74.6 -43.84 53.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.792 ' O ' ' HB2' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -68.08 -51.88 41.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 111.001 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.437 ' N ' ' CD2' ' A' ' 13' ' ' PHE . 4.1 ttt-85 -60.24 -28.31 67.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.308 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.51 -59.45 4.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.512 ' CG ' ' HD3' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -84.16 -32.6 24.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 1.2 ' O ' ' N ' ' A' ' 19' ' ' TYR . 10.5 m-85 -87.67 29.04 0.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -34.95 6.95 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 1.2 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -64.6 121.41 14.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 179.944 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -99.51 97.82 8.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.692 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.61 -169.75 15.74 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.454 1.096 . . . . 0.0 111.002 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -102.92 92.67 4.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 0.761 . . . . 0.0 110.272 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.864 HD12 ' CE2' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -67.19 108.54 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.336 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.403 ' CD ' ' O ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -154.34 116.54 4.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.163 . . . . 0.0 110.276 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.862 HG23 ' CG ' ' A' ' 54' ' ' GLU . 7.5 p -65.1 99.01 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -90.9 -48.36 7.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 1.153 ' CE2' HG13 ' A' ' 55' ' ' VAL . 34.5 p90 -127.65 84.93 2.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 110.973 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.689 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 12.2 p -72.77 110.67 7.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.992 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.762 HG21 ' CG2' ' A' ' 55' ' ' VAL . 3.1 t -85.33 161.24 19.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.368 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.94 136.61 40.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.631 ' CG1' HG23 ' A' ' 35' ' ' ILE . 1.6 t -73.66 119.15 20.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.73 HG22 ' H ' ' A' ' 34' ' ' SER . 12.1 t -77.91 178.87 7.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.437 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.454 ' HA ' ' HB2' ' A' ' 49' ' ' PRO . 1.3 t -80.04 -11.37 59.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 110.399 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.73 ' H ' HG22 ' A' ' 32' ' ' THR . 1.2 t -99.48 13.25 33.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 109.998 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.683 HG21 ' CA ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -70.78 171.58 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.881 ' O ' ' CH2' ' A' ' 40' ' ' TRP . 1.7 t -69.88 117.38 11.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 110.382 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -119.24 -28.09 5.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.954 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.438 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -103.36 -48.58 3.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.551 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -68.19 124.24 22.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 109.337 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.881 ' CH2' ' O ' ' A' ' 36' ' ' THR . 7.3 m95 -143.87 132.23 22.07 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.015 -1.105 . . . . 0.0 108.015 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -119.45 158.63 15.0 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.502 1.126 . . . . 0.0 111.041 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.7 t -56.33 -35.7 67.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 0.784 . . . . 0.0 110.419 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.627 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 8.1 mtm180 -97.43 7.21 46.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.326 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -103.34 163.76 12.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.893 HD12 ' HA3' ' A' ' 74' ' ' GLY . 4.7 tp -97.45 151.87 19.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.608 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 5.1 tt0 -89.32 30.85 0.94 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.278 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.802 ' O ' ' CH2' ' A' ' 40' ' ' TRP . 16.1 m -63.87 160.16 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.316 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -114.26 156.18 44.65 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.683 ' CA ' HG21 ' A' ' 35' ' ' ILE . 18.2 Cg_endo -74.97 129.09 12.04 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.53 1.806 . . . . 0.0 111.038 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 32' ' ' THR . . . 100.61 12.28 38.49 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.501 1.126 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.628 ' O ' HG22 ' A' ' 31' ' ' VAL . 7.4 tp10 -109.13 171.95 7.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 0.787 . . . . 0.0 110.333 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.409 ' H ' ' CG ' ' A' ' 51' ' ' GLU . 29.6 t -110.99 131.15 55.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.992 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 1.052 HD22 ' O ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -140.02 154.48 47.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 109.312 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.862 ' CG ' HG23 ' A' ' 25' ' ' VAL . 0.4 OUTLIER -82.1 134.89 35.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.126 . . . . 0.0 110.29 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 1.153 HG13 ' CE2' ' A' ' 27' ' ' TYR . 2.4 t -104.62 128.43 58.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.581 1.176 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.975 HG21 ' H ' ' A' ' 57' ' ' GLN . 4.9 mt -92.98 -137.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.975 ' H ' HG21 ' A' ' 56' ' ' ILE . 12.1 tt0 -94.09 156.19 16.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 110.297 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.588 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 1.4 p -67.59 121.08 15.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.397 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.428 ' HB ' ' HG2' ' A' ' 63' ' ' LYS . 1.2 m -54.51 -74.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.365 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.407 ' CG ' ' N ' ' A' ' 61' ' ' ASP . 8.1 t0 -104.82 -91.91 0.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.407 ' N ' ' CG ' ' A' ' 60' ' ' ASP . 0.3 OUTLIER -117.88 -57.29 2.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.335 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.454 ' CG2' ' HG2' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -117.83 68.66 0.77 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 110.417 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.588 ' O ' ' HA ' ' A' ' 58' ' ' THR . 41.6 tttt -154.71 130.98 10.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.895 HG11 ' OH ' ' A' ' 27' ' ' TYR . 3.5 m -119.66 128.23 75.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.778 ' CD2' HD11 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -88.09 128.99 35.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.612 ' SG ' HD21 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -91.08 156.7 17.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 108.314 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.667 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -137.62 136.88 37.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 110.285 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.534 ' ND2' ' O ' ' A' ' 72' ' ' LYS . 0.8 OUTLIER -122.48 138.85 54.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.316 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.407 ' C ' ' H ' ' A' ' 71' ' ' GLY . 3.1 tm-20 -58.82 -8.89 1.5 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 110.281 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.458 ' H ' ' C ' ' A' ' 68' ' ' ASN . 2.7 tp10 -63.25 -7.16 5.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.276 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.407 ' H ' ' C ' ' A' ' 69' ' ' GLU . . . 86.66 11.22 71.54 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.514 1.134 . . . . 0.0 111.015 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.534 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 0.0 OUTLIER -124.33 156.66 36.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 0.762 . . . . 0.0 109.259 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.864 ' CE2' HD12 ' A' ' 23' ' ' ILE . 3.6 m-85 -121.25 168.31 11.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 111.004 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.893 ' HA3' HD12 ' A' ' 45' ' ' LEU . . . -156.95 157.66 28.19 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.443 1.089 . . . . 0.0 111.018 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.898 ' CZ ' ' CE2' ' A' ' 17' ' ' PHE . 3.4 m-85 -104.66 149.84 25.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 0.752 . . . . 0.0 111.033 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.744 ' CG1' HD11 ' A' ' 81' ' ' LEU . 2.1 t -143.22 125.9 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.165 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.65 138.01 41.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.454 ' HG2' ' CG2' ' A' ' 62' ' ' THR . 0.0 OUTLIER -55.93 -18.38 8.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.1 t -48.06 -57.76 5.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.028 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.77 ' CE1' ' CG2' ' A' ' 36' ' ' THR . 13.8 p90 -115.02 82.78 1.8 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 111.039 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.85 HD22 ' H ' ' A' ' 82' ' ' ALA . 0.3 OUTLIER -166.46 174.08 9.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.85 ' H ' HD22 ' A' ' 81' ' ' LEU . . . -98.68 165.76 11.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.52 ' O ' ' OG1' ' A' ' 29' ' ' THR . 1.1 m-20 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.17 -13.02 56.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.35 -38.2 88.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -62.04 -36.69 82.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.296 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -33.23 75.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.31 -40.76 77.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.88 ' CE1' ' CD2' ' A' ' 17' ' ' PHE . 1.1 t80 -67.17 -52.31 42.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.158 . . . . 0.0 110.995 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.41 ' N ' ' CD2' ' A' ' 13' ' ' PHE . 19.6 ttm180 -59.88 -28.66 67.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 110.289 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.426 ' CE ' ' HD2' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -54.59 -59.0 5.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.258 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.775 ' HZ1' ' HA ' ' A' ' 16' ' ' LYS . 0.2 OUTLIER -84.41 -31.65 24.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 1.194 ' O ' ' N ' ' A' ' 19' ' ' TYR . 15.3 m-85 -87.95 29.92 0.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -34.8 6.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 1.194 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -65.15 121.81 15.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 111.012 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -100.48 97.93 8.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.693 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.86 -169.67 15.81 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.468 1.105 . . . . 0.0 110.975 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -102.85 92.78 4.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 0.765 . . . . 0.0 110.298 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.742 HD13 ' CZ ' ' A' ' 13' ' ' PHE . 0.2 OUTLIER -69.02 107.51 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.23 116.82 3.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.09 . . . . 0.0 110.302 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 1.015 HG13 ' HG2' ' A' ' 54' ' ' GLU . 48.9 t -65.53 99.91 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.418 1.074 . . . . 0.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -90.25 -48.53 7.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 1.132 ' CE2' HG13 ' A' ' 55' ' ' VAL . 31.3 p90 -127.29 86.62 2.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.744 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 68.7 p -71.97 110.1 6.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.01 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.558 HG23 ' CD2' ' A' ' 81' ' ' LEU . 0.6 OUTLIER -88.9 160.88 16.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 110.395 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.435 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -99.84 137.3 38.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 0.0 109.275 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.658 ' CG1' HD11 ' A' ' 35' ' ' ILE . 1.7 t -72.56 122.16 24.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.832 HG22 ' H ' ' A' ' 34' ' ' SER . 10.6 t -76.36 178.57 6.43 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.472 1.107 . . . . 0.0 110.356 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.435 ' HA ' ' HB2' ' A' ' 49' ' ' PRO . 11.4 t -80.64 -16.18 54.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.422 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.832 ' H ' HG22 ' A' ' 32' ' ' THR . 3.3 t -95.26 13.44 25.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.138 . . . . 0.0 110.013 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.698 HG21 ' CA ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -70.6 171.73 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.868 HG22 ' CZ3' ' A' ' 40' ' ' TRP . 2.1 t -70.0 117.93 12.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.393 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.99 -27.74 5.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.008 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.438 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 6.2 ptpp? -104.1 -48.03 3.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.573 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -67.74 124.11 22.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.868 ' CZ3' HG22 ' A' ' 36' ' ' THR . 7.1 m95 -143.93 131.53 21.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 108.023 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.402 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -119.39 159.96 14.51 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.493 1.121 . . . . 0.0 110.932 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.6 p -56.69 -36.34 69.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.772 . . . . 0.0 110.398 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.661 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 4.1 mtm105 -96.5 7.48 46.41 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.125 . . . . 0.0 110.323 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.402 ' CB ' ' H ' ' A' ' 41' ' ' GLY . 0.4 OUTLIER -104.2 163.13 12.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.874 HD22 ' CG1' ' A' ' 47' ' ' VAL . 2.8 tp -98.21 153.78 18.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.601 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 5.3 tt0 -89.27 31.39 0.9 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 110.321 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.874 ' CG1' HD22 ' A' ' 45' ' ' LEU . 25.3 m -63.94 160.54 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.27 155.69 46.59 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.698 ' CA ' HG21 ' A' ' 35' ' ' ILE . 18.3 Cg_endo -74.98 126.01 9.71 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.472 1.775 . . . . 0.0 111.02 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 32' ' ' THR . . . 100.47 16.52 26.75 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.509 1.13 . . . . 0.0 110.964 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.611 ' O ' HG22 ' A' ' 31' ' ' VAL . 0.6 OUTLIER -112.56 172.11 7.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 0.758 . . . . 0.0 110.312 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.2 p -104.9 130.88 52.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.955 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.953 HD11 ' C ' ' A' ' 53' ' ' LEU . 0.1 OUTLIER -140.77 146.38 37.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.303 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 1.015 ' HG2' HG13 ' A' ' 25' ' ' VAL . 3.6 mt-10 -78.45 129.15 34.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 110.294 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 1.132 HG13 ' CE2' ' A' ' 27' ' ' TYR . 2.9 t -99.09 127.43 51.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.954 HG21 ' H ' ' A' ' 57' ' ' GLN . 2.1 mt -93.35 -138.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.954 ' H ' HG21 ' A' ' 56' ' ' ILE . 32.0 mm-40 -94.58 155.65 16.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.32 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.527 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 4.8 p -67.0 120.91 14.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.436 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.553 ' HB ' ' CG ' ' A' ' 63' ' ' LYS . 1.1 m -53.47 -75.38 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.142 . . . . 0.0 110.402 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.482 ' N ' HG21 ' A' ' 59' ' ' THR . 4.2 t0 -105.47 -91.07 0.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.351 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.422 ' N ' ' CG ' ' A' ' 60' ' ' ASP . 13.7 m-20 -117.16 -57.69 2.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.252 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.501 ' CG2' ' HG3' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -118.84 69.45 0.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.364 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.553 ' CG ' ' HB ' ' A' ' 59' ' ' THR . 9.8 tppt? -152.54 130.54 11.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.15 . . . . 0.0 109.351 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.865 HG22 HD12 ' A' ' 81' ' ' LEU . 0.1 OUTLIER -117.9 126.82 75.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 1.042 HD11 ' O ' ' A' ' 74' ' ' GLY . 1.5 tp -87.78 128.26 35.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.878 ' SG ' HD12 ' A' ' 53' ' ' LEU . 1.7 t -89.68 155.57 19.13 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.496 1.122 . . . . 0.0 108.307 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.67 ' HG3' ' CD2' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -137.27 136.54 38.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 72' ' ' LYS . 0.7 OUTLIER -121.73 137.55 54.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.163 . . . . 0.0 109.295 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.434 ' C ' ' H ' ' A' ' 71' ' ' GLY . 0.4 OUTLIER -58.29 -8.69 1.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.322 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.473 ' H ' ' C ' ' A' ' 68' ' ' ASN . 2.1 tp10 -63.19 -6.44 4.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 110.342 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.434 ' H ' ' C ' ' A' ' 69' ' ' GLU . . . 87.13 10.74 70.99 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.521 1.138 . . . . 0.0 111.024 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.496 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 15.9 tttt -124.23 156.69 36.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 0.772 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.71 ' HB2' ' CD1' ' A' ' 13' ' ' PHE . 4.3 m-85 -120.62 168.66 11.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 111.043 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 1.042 ' O ' HD11 ' A' ' 65' ' ' LEU . . . -157.77 159.43 29.89 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.509 1.131 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.891 ' CE2' ' CE2' ' A' ' 17' ' ' PHE . 9.2 m-85 -103.83 151.75 22.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 0.766 . . . . 0.0 111.044 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.715 ' CG1' HD11 ' A' ' 81' ' ' LEU . 1.5 t -143.04 126.59 14.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.58 HD21 ' CD ' ' A' ' 78' ' ' ARG . 0.0 OUTLIER -74.03 136.35 43.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.58 ' CD ' HD21 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -55.58 -19.34 9.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.289 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 30.5 t -47.79 -58.13 4.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.122 . . . . 0.0 110.006 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.746 ' CE1' ' CG2' ' A' ' 36' ' ' THR . 11.3 p90 -114.95 84.51 2.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 111.0 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.985 HD22 ' H ' ' A' ' 82' ' ' ALA . 0.4 OUTLIER -167.48 174.95 7.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 109.251 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.985 ' H ' HD22 ' A' ' 81' ' ' LEU . . . -79.42 172.27 14.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.247 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 109.345 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -82.24 -15.2 53.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -63.73 -25.18 68.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.329 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -61.04 -39.9 91.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.095 . . . . 0.0 110.275 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.0 mttm -65.72 -30.81 71.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.402 ' O ' ' HB3' ' A' ' 15' ' ' LYS . 3.8 t70 -76.36 -32.4 58.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.971 ' CE1' ' CD2' ' A' ' 17' ' ' PHE . 33.5 t80 -65.58 -52.83 49.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 111.017 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -59.95 -29.32 68.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.306 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.402 ' HB3' ' O ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -54.44 -59.35 4.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.449 ' HG2' ' CD ' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -84.6 -34.32 23.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 0.0 109.306 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 1.177 ' O ' ' N ' ' A' ' 19' ' ' TYR . 9.2 m-85 -87.95 27.46 1.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 111.031 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -36.31 8.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 1.177 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -63.23 122.13 15.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.994 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -101.13 97.87 8.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.686 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -147.97 -169.81 15.42 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.502 1.127 . . . . 0.0 111.052 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.53 91.7 4.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 0.753 . . . . 0.0 110.263 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.791 HD12 ' CE2' ' A' ' 73' ' ' TYR . 0.2 OUTLIER -66.92 109.27 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.155 . . . . 0.0 109.321 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.466 ' CA ' HH22 ' A' ' 67' ' ' ARG . 0.0 OUTLIER -152.4 116.24 4.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.143 . . . . 0.0 110.28 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.976 HG13 ' HG2' ' A' ' 54' ' ' GLU . 25.7 t -65.9 100.59 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.53 -48.67 6.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 1.172 ' CE2' HG13 ' A' ' 55' ' ' VAL . 29.7 p90 -128.7 88.41 2.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.978 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.7 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 4.0 p -72.25 111.21 7.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.003 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.929 HG23 HD13 ' A' ' 81' ' ' LEU . 1.3 t -88.64 160.76 17.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 110.411 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.823 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 11.1 tmtt? -100.03 138.73 36.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.714 HG22 ' O ' ' A' ' 51' ' ' GLU . 2.1 t -70.57 115.02 9.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.84 HG21 ' H ' ' A' ' 34' ' ' SER . 1.2 m -74.17 136.06 42.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.389 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.537 ' O ' ' HB2' ' A' ' 49' ' ' PRO . 14.6 t -44.53 -17.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.408 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.84 ' H ' HG21 ' A' ' 32' ' ' THR . 0.1 OUTLIER -91.26 13.39 17.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.988 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.683 HG21 ' CA ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -71.52 173.54 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.89 HG22 ' CZ3' ' A' ' 40' ' ' TRP . 1.6 t -71.48 119.66 15.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.436 1.085 . . . . 0.0 110.389 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.431 ' HB3' ' CD ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER -118.19 -27.88 5.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.959 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.444 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 5.0 ptpp? -104.68 -48.07 3.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.577 ' O ' ' OG1' ' A' ' 36' ' ' THR . 0.0 OUTLIER -67.58 124.68 23.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.229 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.89 ' CZ3' HG22 ' A' ' 36' ' ' THR . 6.8 m95 -144.34 128.83 18.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 108.006 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -118.13 159.77 14.12 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.528 1.142 . . . . 0.0 110.984 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 29.4 p -56.6 -36.0 68.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 0.786 . . . . 0.0 110.441 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.67 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 4.0 mtm180 -95.93 6.91 47.75 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.544 1.152 . . . . 0.0 110.305 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.37 162.43 13.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.138 . . . . 0.0 109.264 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 1.068 HD22 ' CG1' ' A' ' 47' ' ' VAL . 5.2 tp -97.98 152.72 18.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.143 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.608 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 5.2 tt0 -88.7 31.16 0.85 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.271 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 1.068 ' CG1' HD22 ' A' ' 45' ' ' LEU . 22.0 m -64.4 160.75 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.47 153.62 44.83 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.683 ' CA ' HG21 ' A' ' 35' ' ' ILE . 18.2 Cg_endo -75.04 127.94 11.06 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.529 1.805 . . . . 0.0 110.973 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.43 11.43 44.81 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.496 1.122 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.714 ' O ' HG22 ' A' ' 31' ' ' VAL . 7.0 tp10 -106.41 170.83 7.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.551 0.795 . . . . 0.0 110.321 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.403 ' H ' ' CG ' ' A' ' 51' ' ' GLU . 0.1 OUTLIER -103.22 131.06 50.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.976 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.936 HD11 ' C ' ' A' ' 53' ' ' LEU . 0.1 OUTLIER -140.51 145.93 37.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.976 ' HG2' HG13 ' A' ' 25' ' ' VAL . 4.3 mt-10 -78.85 131.64 36.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.27 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 1.172 HG13 ' CE2' ' A' ' 27' ' ' TYR . 2.5 t -100.29 126.26 53.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.429 1.08 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.968 HG21 ' H ' ' A' ' 57' ' ' GLN . 2.6 mt -92.93 -136.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.426 1.079 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.968 ' H ' HG21 ' A' ' 56' ' ' ILE . 33.4 mm-40 -93.33 153.65 18.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.287 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.549 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 1.9 p -66.55 120.64 13.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.394 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.702 HG23 ' HD3' ' A' ' 63' ' ' LYS . 1.2 m -54.1 -74.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.404 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.43 ' CG ' ' N ' ' A' ' 61' ' ' ASP . 3.8 t70 -105.16 -91.23 0.39 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.43 ' N ' ' CG ' ' A' ' 60' ' ' ASP . 85.2 m-20 -118.0 -57.66 2.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.14 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.34 68.76 0.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.408 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.702 ' HD3' HG23 ' A' ' 59' ' ' THR . 24.8 tttp -154.75 130.77 10.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.789 HG11 ' HH ' ' A' ' 27' ' ' TYR . 32.0 m -118.45 131.67 70.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.696 ' CD2' HD11 ' A' ' 56' ' ' ILE . 0.6 OUTLIER -86.31 126.91 34.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.807 ' SG ' HD12 ' A' ' 53' ' ' LEU . 1.6 t -88.77 155.84 19.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 108.288 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.698 ' NH2' HG22 ' A' ' 25' ' ' VAL . 4.2 ttm180 -137.65 146.38 43.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.282 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.677 ' OD1' HD23 ' A' ' 45' ' ' LEU . 5.9 m120 -117.15 134.78 54.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -54.88 -17.43 3.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.328 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -79.06 -4.18 48.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 88.84 23.54 35.38 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.547 1.154 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.53 123.28 49.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 0.778 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.791 ' CE2' HD12 ' A' ' 23' ' ' ILE . 24.0 m-85 -104.0 156.27 18.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 111.034 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.86 ' HA3' HD12 ' A' ' 45' ' ' LEU . . . -156.75 160.26 30.17 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.893 ' CZ ' ' CE2' ' A' ' 17' ' ' PHE . 2.7 m-85 -102.99 149.96 24.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 0.776 . . . . 0.0 110.983 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.2 t -139.95 125.14 20.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.504 ' CD2' ' HD3' ' A' ' 78' ' ' ARG . 0.1 OUTLIER -78.26 141.81 38.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.553 ' HA ' HD22 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -57.17 -20.0 23.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 110.251 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.0 t -50.58 -60.18 3.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 110.01 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.754 ' CE1' ' CG2' ' A' ' 36' ' ' THR . 17.6 p90 -116.54 84.12 2.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.976 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.929 HD13 HG23 ' A' ' 29' ' ' THR . 0.1 OUTLIER -166.6 174.79 8.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.893 ' H ' HD11 ' A' ' 81' ' ' LEU . . . -79.39 173.52 12.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.438 1.086 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.8 mmtm -76.49 -29.64 56.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.24 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.66 -34.63 78.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -68.47 -30.5 69.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 110.272 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.472 ' HE2' HH21 ' A' ' 14' ' ' ARG . 0.0 OUTLIER -59.6 -33.0 70.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.97 -43.05 99.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.822 ' CE2' ' CD2' ' A' ' 17' ' ' PHE . 0.6 OUTLIER -67.74 -52.15 40.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 110.957 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.472 HH21 ' HE2' ' A' ' 11' ' ' LYS . 9.3 ttp180 -60.06 -28.62 67.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.148 . . . . 0.0 110.353 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.02 -59.15 5.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.418 ' HG2' ' CD ' ' A' ' 43' ' ' ARG . 11.3 tptp -84.63 -32.21 23.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 1.185 ' O ' ' N ' ' A' ' 19' ' ' TYR . 9.0 m-85 -87.33 29.7 0.84 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 111.002 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -35.49 7.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 1.185 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -63.88 121.59 14.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 111.008 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -99.97 98.08 8.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.692 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.67 -169.86 15.89 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.512 1.132 . . . . 0.0 110.975 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -103.22 92.22 4.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 0.754 . . . . 0.0 110.334 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.977 HD12 ' CE2' ' A' ' 73' ' ' TYR . 0.2 OUTLIER -67.7 109.3 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -153.02 116.06 4.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 110.272 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.976 HG13 ' HG2' ' A' ' 54' ' ' GLU . 63.4 t -66.39 99.81 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.64 -47.6 7.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 1.095 ' CE2' HG13 ' A' ' 55' ' ' VAL . 30.5 p90 -125.86 89.53 3.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.703 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 95.0 p -71.95 110.59 6.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.035 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.939 HG23 HD13 ' A' ' 81' ' ' LEU . 1.3 t -89.94 159.38 16.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.411 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.888 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -103.52 137.13 42.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.638 ' CG1' HG23 ' A' ' 35' ' ' ILE . 1.7 t -71.22 121.28 20.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.757 HG22 ' H ' ' A' ' 34' ' ' SER . 13.9 t -75.46 178.46 5.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.416 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.482 ' HA ' ' HB2' ' A' ' 49' ' ' PRO . 2.7 t -80.77 -15.81 55.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.44 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.757 ' H ' HG22 ' A' ' 32' ' ' THR . 8.1 t -96.07 13.67 26.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.011 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.679 HG21 ' CB ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -70.41 170.65 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.855 HG22 ' CZ3' ' A' ' 40' ' ' TRP . 1.7 t -70.33 117.85 12.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.433 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.84 -28.55 5.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.977 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.442 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 0.6 OUTLIER -104.28 -48.07 3.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.569 ' O ' ' OG1' ' A' ' 36' ' ' THR . 0.0 OUTLIER -67.91 125.15 25.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.274 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.855 ' CZ3' HG22 ' A' ' 36' ' ' THR . 7.4 m95 -144.17 131.05 20.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 107.972 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.404 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -118.06 159.87 14.06 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 34.0 p -56.53 -35.69 68.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 0.799 . . . . 0.0 110.399 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.671 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 5.9 mtm180 -95.97 6.62 48.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.331 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.404 ' CB ' ' H ' ' A' ' 41' ' ' GLY . 0.3 OUTLIER -104.41 162.22 13.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.889 HD12 ' HA3' ' A' ' 74' ' ' GLY . 4.3 tp -98.88 157.24 16.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.256 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.593 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 5.5 tt0 -89.35 31.5 0.9 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.789 ' O ' ' CH2' ' A' ' 40' ' ' TRP . 21.5 m -63.65 160.88 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.95 155.6 50.94 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.679 ' CB ' HG21 ' A' ' 35' ' ' ILE . 18.1 Cg_endo -75.04 130.99 13.73 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.531 1.806 . . . . 0.0 110.937 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.6 6.45 52.76 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.456 1.098 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.577 ' O ' HG22 ' A' ' 31' ' ' VAL . 5.6 tt0 -100.28 172.02 7.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 0.782 . . . . 0.0 110.29 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -122.61 128.96 51.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.984 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 1.097 HD21 ' H ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -141.92 154.97 45.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 109.264 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 1.097 ' H ' HD21 ' A' ' 53' ' ' LEU . 2.9 mt-10 -74.71 132.49 41.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 110.306 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 1.095 HG13 ' CE2' ' A' ' 27' ' ' TYR . 2.2 t -101.34 134.17 42.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.947 HG21 ' H ' ' A' ' 57' ' ' GLN . 3.1 mt -92.97 -137.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.947 ' H ' HG21 ' A' ' 56' ' ' ILE . 26.2 mm100 -95.27 157.24 15.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.597 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 2.8 p -66.98 119.42 11.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.386 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.543 HG21 ' N ' ' A' ' 60' ' ' ASP . 0.9 OUTLIER -53.92 -73.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 110.39 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.543 ' N ' HG21 ' A' ' 59' ' ' THR . 3.2 t70 -104.4 -91.29 0.38 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.44 ' N ' ' CG ' ' A' ' 60' ' ' ASP . 4.3 m-20 -117.4 -58.07 2.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.16 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.576 HG23 ' HD2' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -119.21 69.42 0.82 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 110.381 -179.928 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.597 ' O ' ' HA ' ' A' ' 58' ' ' THR . 5.8 ttpt -154.66 130.49 10.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.307 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.967 HG11 ' HH ' ' A' ' 27' ' ' TYR . 31.5 m -116.93 132.31 67.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.921 HD11 ' O ' ' A' ' 74' ' ' GLY . 13.5 tp -87.72 128.19 35.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.25 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.865 ' SG ' HD21 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -90.84 150.71 21.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 108.318 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.897 ' H ' HD23 ' A' ' 53' ' ' LEU . 1.2 ttt180 -139.31 132.24 29.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.265 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.527 ' ND2' ' O ' ' A' ' 72' ' ' LYS . 0.5 OUTLIER -121.4 138.42 54.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.439 ' C ' ' H ' ' A' ' 71' ' ' GLY . 2.5 tt0 -54.99 -11.57 0.67 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 110.342 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.458 ' H ' ' C ' ' A' ' 68' ' ' ASN . 1.2 tt0 -59.75 -9.04 2.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 110.296 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.439 ' H ' ' C ' ' A' ' 69' ' ' GLU . . . 87.07 10.87 70.89 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.738 ' HZ2' HD13 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -124.74 151.73 44.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 0.742 . . . . 0.0 109.32 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.977 ' CE2' HD12 ' A' ' 23' ' ' ILE . 7.4 m-85 -114.37 170.59 8.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.096 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.921 ' O ' HD11 ' A' ' 65' ' ' LEU . . . -157.35 158.03 28.6 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.499 1.125 . . . . 0.0 111.008 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.888 ' CD2' ' CZ ' ' A' ' 17' ' ' PHE . 1.6 m-85 -105.9 152.1 23.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.775 . . . . 0.0 110.988 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 t -142.19 125.71 15.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.457 HD22 ' H ' ' A' ' 78' ' ' ARG . 0.1 OUTLIER -80.46 142.29 34.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.576 ' HD2' HG23 ' A' ' 62' ' ' THR . 0.0 OUTLIER -58.21 -21.14 46.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.266 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.465 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 0.5 OUTLIER -50.06 -59.69 3.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.988 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.772 ' CE1' ' CG2' ' A' ' 36' ' ' THR . 15.6 p90 -117.57 83.26 1.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.939 HD13 HG23 ' A' ' 29' ' ' THR . 0.1 OUTLIER -166.14 174.56 9.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.913 ' H ' HD11 ' A' ' 81' ' ' LEU . . . -76.5 173.39 11.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.328 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.46 -14.33 52.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -61.66 -33.95 74.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.271 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.429 ' HG2' ' NH2' ' A' ' 14' ' ' ARG . 6.0 tt0 -64.48 -31.98 73.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 110.294 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.662 ' CE ' HH21 ' A' ' 14' ' ' ARG . 8.9 mmpt? -68.16 -35.46 78.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.712 ' O ' ' HG3' ' A' ' 15' ' ' LYS . 3.2 t70 -59.77 -38.51 82.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.825 ' CE2' ' CD2' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -83.02 -49.98 9.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 111.03 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.662 HH21 ' CE ' ' A' ' 11' ' ' LYS . 4.3 ttp-105 -58.86 -35.65 73.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 110.331 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.712 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -51.67 -57.6 8.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.486 ' CG ' ' HD3' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -83.05 -33.87 26.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.366 179.926 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 1.19 ' O ' ' N ' ' A' ' 19' ' ' TYR . 7.5 m-85 -87.48 29.81 0.85 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.963 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -35.2 7.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 1.19 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -64.3 121.84 15.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 110.979 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -99.55 97.9 8.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.115 . . . . 0.0 109.271 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.688 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.69 -169.72 15.76 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.551 1.157 . . . . 0.0 110.968 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -102.26 92.77 4.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 0.75 . . . . 0.0 110.283 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.843 HG12 HD12 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -68.18 108.53 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.08 116.08 4.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.292 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.944 HG13 ' CG ' ' A' ' 54' ' ' GLU . 60.8 t -66.0 100.19 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -90.62 -49.2 6.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.273 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 1.145 ' CE2' HG13 ' A' ' 55' ' ' VAL . 31.4 p90 -126.95 88.13 2.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.09 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.656 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 70.1 p -71.74 110.89 6.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.981 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.98 HG23 HD13 ' A' ' 81' ' ' LEU . 2.6 t -84.68 160.14 20.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 110.367 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.876 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 0.3 OUTLIER -101.72 135.08 43.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.649 ' CG1' HG23 ' A' ' 35' ' ' ILE . 1.7 t -72.45 120.89 21.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.254 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.874 HG22 ' H ' ' A' ' 34' ' ' SER . 8.2 t -75.91 178.88 5.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.384 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.435 ' HA ' ' HB2' ' A' ' 49' ' ' PRO . 5.3 t -80.8 -15.64 55.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.437 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.874 ' H ' HG22 ' A' ' 32' ' ' THR . 11.4 t -95.88 13.39 26.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.005 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.662 HG21 ' CA ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -70.47 171.32 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.875 ' O ' ' CH2' ' A' ' 40' ' ' TRP . 1.6 t -70.42 117.24 11.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 110.4 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.77 -27.52 5.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.012 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.453 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 1.1 ptpt -104.46 -48.82 3.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.57 ' O ' ' OG1' ' A' ' 36' ' ' THR . 0.0 OUTLIER -68.06 125.47 26.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.875 ' CH2' ' O ' ' A' ' 36' ' ' THR . 7.3 m95 -144.32 130.57 19.69 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.015 -1.105 . . . . 0.0 108.015 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.411 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -118.61 159.6 14.31 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.543 1.152 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 10.7 t -56.37 -35.69 67.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 0.76 . . . . 0.0 110.364 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.661 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 6.7 mtm105 -96.37 7.29 46.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.16 . . . . 0.0 110.278 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.411 ' CB ' ' H ' ' A' ' 41' ' ' GLY . 0.2 OUTLIER -104.86 162.31 13.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.943 HD12 ' HA3' ' A' ' 74' ' ' GLY . 5.0 tp -98.02 154.77 17.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.592 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 6.0 tt0 -89.11 30.54 0.95 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 110.323 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.787 ' O ' ' CH2' ' A' ' 40' ' ' TRP . 19.4 m -63.77 160.04 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.8 mptt -114.68 155.46 46.12 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.662 ' CA ' HG21 ' A' ' 35' ' ' ILE . 18.1 Cg_endo -74.98 126.94 10.31 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.496 1.788 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 32' ' ' THR . . . 101.04 11.45 39.66 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.484 1.115 . . . . 0.0 111.018 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.63 ' O ' HG22 ' A' ' 31' ' ' VAL . 2.8 mp0 -106.87 172.05 7.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 0.753 . . . . 0.0 110.29 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 p -113.17 131.36 55.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.035 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 1.024 HD22 ' O ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -140.47 157.21 45.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.944 ' CG ' HG13 ' A' ' 25' ' ' VAL . 0.9 OUTLIER -81.11 135.31 35.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.338 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 1.145 HG13 ' CE2' ' A' ' 27' ' ' TYR . 2.2 t -104.97 127.91 59.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.948 HG21 ' H ' ' A' ' 57' ' ' GLN . 5.1 mt -93.19 -137.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.252 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.948 ' H ' HG21 ' A' ' 56' ' ' ILE . 28.9 mm100 -93.71 155.2 17.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 110.279 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.591 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 3.0 p -67.3 121.42 15.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 110.415 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.479 ' HB ' ' CG ' ' A' ' 63' ' ' LYS . 1.2 m -54.51 -74.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.41 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.404 ' CG ' ' N ' ' A' ' 61' ' ' ASP . 5.2 t70 -105.47 -91.09 0.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.404 ' N ' ' CG ' ' A' ' 60' ' ' ASP . 4.0 m-20 -117.84 -57.27 2.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.48 HG23 ' HD2' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -118.11 68.83 0.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.427 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.591 ' O ' ' HA ' ' A' ' 58' ' ' THR . 0.0 OUTLIER -155.12 130.91 9.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.272 -179.93 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.663 HG21 HD21 ' A' ' 81' ' ' LEU . 35.1 m -120.04 129.49 75.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.775 ' CD2' HD11 ' A' ' 56' ' ' ILE . 0.2 OUTLIER -87.97 129.13 35.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.609 ' HB2' HD13 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -90.32 155.68 18.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 108.344 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.673 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 16.6 ttp85 -137.85 134.95 35.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.318 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.516 ' ND2' ' O ' ' A' ' 72' ' ' LYS . 0.5 OUTLIER -122.12 138.28 54.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -55.91 -10.79 0.84 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.286 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.464 ' H ' ' C ' ' A' ' 68' ' ' ASN . 2.9 tp10 -63.03 -7.96 6.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 110.287 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.23 10.46 74.45 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.482 1.114 . . . . 0.0 110.998 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.516 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 0.7 OUTLIER -120.1 156.79 30.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 0.756 . . . . 0.0 109.264 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.719 ' CE2' HD12 ' A' ' 23' ' ' ILE . 4.4 m-85 -123.49 167.65 13.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 111.008 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.943 ' HA3' HD12 ' A' ' 45' ' ' LEU . . . -157.21 158.02 28.55 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.564 1.165 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.9 ' CZ ' ' CE2' ' A' ' 17' ' ' PHE . 2.3 m-85 -104.57 153.61 20.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 0.737 . . . . 0.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.6 t -142.87 126.03 13.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.415 HD22 ' H ' ' A' ' 78' ' ' ARG . 0.1 OUTLIER -77.89 140.46 39.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.254 -179.934 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.611 ' HA ' HD22 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -57.4 -20.04 27.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 110.287 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.453 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 13.6 t -50.14 -59.38 3.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.971 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.77 ' CE1' ' CG2' ' A' ' 36' ' ' THR . 17.9 p90 -117.01 83.99 2.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.57 1.169 . . . . 0.0 110.985 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.98 HD13 HG23 ' A' ' 29' ' ' THR . 0.1 OUTLIER -167.07 175.31 7.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.933 ' H ' HD11 ' A' ' 81' ' ' LEU . . . -78.95 172.52 13.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -13.66 37.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.85 -38.72 89.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 110.323 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.471 ' HG2' HH21 ' A' ' 14' ' ' ARG . 3.6 tt0 -68.71 -32.39 72.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 110.28 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.507 ' O ' ' CG ' ' A' ' 15' ' ' LYS . 0.8 OUTLIER -69.48 -34.77 74.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.253 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.707 ' O ' ' HG3' ' A' ' 15' ' ' LYS . 3.6 t70 -59.41 -39.07 82.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.829 ' CE2' ' CD2' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -82.51 -50.62 8.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 110.982 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.579 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 4.4 ttp180 -58.31 -36.63 73.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 110.358 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.707 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -51.81 -57.27 9.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.431 ' H ' ' HG3' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -82.51 -34.7 27.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 1.189 ' O ' ' N ' ' A' ' 19' ' ' TYR . 9.6 m-85 -87.3 29.86 0.83 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.965 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt -35.45 8.3 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 1.189 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -63.64 121.74 14.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 111.066 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -99.16 98.05 9.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.291 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.696 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.41 -169.73 15.6 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.524 1.14 . . . . 0.0 111.038 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -103.0 92.65 4.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 0.782 . . . . 0.0 110.29 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.695 HD12 ' CE2' ' A' ' 73' ' ' TYR . 0.2 OUTLIER -70.38 109.53 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.25 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.443 ' CA ' HH22 ' A' ' 67' ' ' ARG . 42.7 tpt85 -152.87 115.82 4.58 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 110.306 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.744 HG13 ' CG ' ' A' ' 54' ' ' GLU . 40.4 t -66.04 99.26 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.82 -48.46 6.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 1.161 ' CE2' HG13 ' A' ' 55' ' ' VAL . 28.5 p90 -128.19 87.73 2.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.653 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 77.5 p -72.28 109.27 5.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.576 1.172 . . . . 0.0 109.961 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.937 HG23 HD13 ' A' ' 81' ' ' LEU . 1.3 t -85.62 159.56 19.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 110.414 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.89 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 0.7 OUTLIER -101.82 136.86 40.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.654 ' CG1' HG23 ' A' ' 35' ' ' ILE . 1.7 t -70.72 121.72 21.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.763 HG22 ' H ' ' A' ' 34' ' ' SER . 11.1 t -76.06 178.84 6.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.425 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.438 ' HA ' ' HB2' ' A' ' 49' ' ' PRO . 12.1 t -80.31 -18.92 47.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.385 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.763 ' H ' HG22 ' A' ' 32' ' ' THR . 48.4 t -92.94 13.46 20.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.033 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.674 HG21 ' CA ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -70.79 171.58 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.861 HG22 ' CZ3' ' A' ' 40' ' ' TRP . 1.7 t -70.94 118.41 13.68 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.478 1.111 . . . . 0.0 110.385 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.93 -27.65 5.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.012 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.447 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 3.1 pttt -104.41 -48.33 3.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.561 ' O ' ' OG1' ' A' ' 36' ' ' THR . 0.0 OUTLIER -67.79 124.63 23.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.356 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.861 ' CZ3' HG22 ' A' ' 36' ' ' THR . 6.8 m95 -144.03 129.35 18.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 108.039 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.41 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -118.37 159.86 14.14 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.51 1.131 . . . . 0.0 110.979 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.7 t -56.61 -35.88 68.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 0.755 . . . . 0.0 110.423 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.668 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 11.1 mtm180 -96.31 7.12 47.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 110.313 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.41 ' CB ' ' H ' ' A' ' 41' ' ' GLY . 0.3 OUTLIER -104.19 163.23 12.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 1.043 HD22 ' CG1' ' A' ' 47' ' ' VAL . 7.4 tp -98.64 153.06 18.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.596 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 4.7 tt0 -88.45 30.76 0.86 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.557 1.161 . . . . 0.0 110.284 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 1.043 ' CG1' HD22 ' A' ' 45' ' ' LEU . 20.4 m -64.28 160.91 2.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.77 156.2 45.25 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.674 ' CA ' HG21 ' A' ' 35' ' ' ILE . 18.3 Cg_endo -75.02 124.88 8.94 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.517 1.798 . . . . 0.0 110.982 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 32' ' ' THR . . . 101.37 10.13 42.46 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.485 1.116 . . . . 0.0 110.969 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.602 ' O ' HG22 ' A' ' 31' ' ' VAL . 0.4 OUTLIER -104.26 171.94 7.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 0.777 . . . . 0.0 110.259 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.8 p -108.72 131.75 54.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 110.009 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 1.108 HD22 ' O ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -141.14 152.24 44.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.289 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.744 ' CG ' HG13 ' A' ' 25' ' ' VAL . 1.4 mp0 -79.73 135.12 36.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.339 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 1.161 HG13 ' CE2' ' A' ' 27' ' ' TYR . 2.4 t -105.07 125.59 60.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.948 HG21 ' H ' ' A' ' 57' ' ' GLN . 4.2 mt -91.82 -136.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.948 ' H ' HG21 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -93.98 154.21 17.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 0.0 110.28 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.552 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 2.3 p -67.33 121.21 15.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 110.382 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.513 ' HB ' ' CG ' ' A' ' 63' ' ' LYS . 1.3 m -54.3 -75.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.412 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.445 ' OD2' ' N ' ' A' ' 61' ' ' ASP . 4.2 t70 -105.77 -91.56 0.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.445 ' N ' ' OD2' ' A' ' 60' ' ' ASP . 10.2 m-20 -117.37 -57.37 2.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.469 HG23 ' HD2' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -117.91 68.74 0.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.417 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.732 ' HZ1' ' HB3' ' A' ' 75' ' ' TYR . 0.7 OUTLIER -155.17 130.12 9.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 109.281 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.74 HG11 ' HH ' ' A' ' 27' ' ' TYR . 34.8 m -119.47 129.59 75.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.667 ' CD2' HD11 ' A' ' 56' ' ' ILE . 0.4 OUTLIER -86.97 124.83 33.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.258 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.758 ' SG ' HD21 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -90.03 158.59 17.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 108.289 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.701 ' NH2' HG22 ' A' ' 25' ' ' VAL . 7.2 ttm180 -134.24 144.58 48.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.302 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 55.0 t30 -118.87 130.44 55.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.137 . . . . 0.0 109.281 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -54.14 -16.62 2.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.321 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -71.69 -5.52 34.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.296 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 87.77 15.34 61.61 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.526 1.141 . . . . 0.0 110.979 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 20.1 ttpt -117.27 123.61 47.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 0.751 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.695 ' CE2' HD12 ' A' ' 23' ' ' ILE . 5.1 m-85 -95.61 165.93 12.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 111.028 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.67 ' HA3' HD12 ' A' ' 45' ' ' LEU . . . -156.88 158.5 28.85 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.472 1.107 . . . . 0.0 110.963 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.853 ' CZ ' ' CE2' ' A' ' 17' ' ' PHE . 3.0 m-85 -104.6 152.3 22.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 0.744 . . . . 0.0 110.982 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.437 ' O ' ' CD ' ' A' ' 63' ' ' LYS . 2.4 t -142.66 125.79 14.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.453 HD22 ' H ' ' A' ' 78' ' ' ARG . 0.1 OUTLIER -78.4 141.93 37.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.591 ' HA ' HD22 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -57.33 -20.58 29.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.45 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -50.78 -60.11 3.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.961 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.756 ' CE1' ' CG2' ' A' ' 36' ' ' THR . 19.7 p90 -116.58 83.78 2.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 111.01 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.937 HD13 HG23 ' A' ' 29' ' ' THR . 0.1 OUTLIER -166.06 175.74 8.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.906 ' H ' HD11 ' A' ' 81' ' ' LEU . . . -78.76 173.12 12.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.328 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.3 ttpt -82.61 -15.66 51.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 109.282 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.442 ' HG2' ' CG ' ' A' ' 72' ' ' LYS . 3.9 tp10 -61.87 -33.51 74.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 110.332 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -62.3 -42.13 99.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.313 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.77 -38.65 73.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.341 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.429 ' O ' ' HB3' ' A' ' 15' ' ' LYS . 11.8 t70 -71.44 -32.41 68.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.934 ' CE1' ' CD2' ' A' ' 17' ' ' PHE . 23.7 t80 -65.23 -52.42 54.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.15 . . . . 0.0 110.942 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 -59.41 -29.72 67.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.304 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.429 ' HB3' ' O ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -53.85 -58.87 5.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.439 ' CG ' ' HD3' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -84.68 -33.66 23.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 1.196 ' O ' ' N ' ' A' ' 19' ' ' TYR . 23.1 m-85 -88.1 27.23 1.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -35.38 7.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 1.196 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -64.88 122.64 17.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 110.981 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -100.95 97.83 8.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.68 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.47 -169.85 15.75 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.535 1.147 . . . . 0.0 110.984 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 55.9 tt0 -102.23 92.74 4.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 0.764 . . . . 0.0 110.358 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.859 HG23 ' HH ' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -67.01 108.67 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -154.63 117.32 4.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.3 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.929 HG23 ' CG ' ' A' ' 54' ' ' GLU . 7.2 p -66.54 100.37 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -89.95 -49.4 6.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 1.158 ' CE2' HG13 ' A' ' 55' ' ' VAL . 30.2 p90 -126.94 86.63 2.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.965 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.638 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 56.0 p -72.02 109.96 6.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.009 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.886 HG23 HD13 ' A' ' 81' ' ' LEU . 2.1 t -86.71 161.35 18.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.413 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.871 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 4.0 tttm -98.86 136.75 38.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 109.347 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.693 HG22 ' O ' ' A' ' 51' ' ' GLU . 2.0 t -70.39 118.62 15.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.62 ' O ' ' N ' ' A' ' 35' ' ' ILE . 92.4 m -74.55 137.07 42.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.401 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.547 ' O ' ' HB2' ' A' ' 49' ' ' PRO . 8.9 t -46.85 -14.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.405 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.544 ' H ' ' C ' ' A' ' 32' ' ' THR . 1.6 t -95.77 13.84 25.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.955 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.714 HG21 ' CA ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -70.87 173.45 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.908 HG22 ' CZ3' ' A' ' 40' ' ' TRP . 2.1 t -70.38 120.72 16.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.413 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.54 -27.72 5.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 109.961 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.433 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 1.2 pttt -104.09 -47.55 4.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.26 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.598 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -67.48 124.14 22.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.908 ' CZ3' HG22 ' A' ' 36' ' ' THR . 5.8 m95 -143.98 129.57 19.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 108.008 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -118.15 159.88 14.07 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.547 1.154 . . . . 0.0 111.002 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.9 t -56.93 -36.87 70.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.779 . . . . 0.0 110.39 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.63 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 5.2 mtm180 -96.33 7.06 47.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 110.279 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.03 162.73 12.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.253 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 1.081 HD22 ' CG1' ' A' ' 47' ' ' VAL . 7.8 tp -97.81 149.97 21.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.531 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 1.0 OUTLIER -88.2 31.2 0.81 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 110.278 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 1.081 ' CG1' HD22 ' A' ' 45' ' ' LEU . 29.3 m -64.12 161.16 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.128 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.65 154.85 43.78 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.714 ' CA ' HG21 ' A' ' 35' ' ' ILE . 18.2 Cg_endo -75.02 128.49 11.52 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.483 1.78 . . . . 0.0 110.966 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.19 12.61 41.82 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.452 1.095 . . . . 0.0 111.0 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.693 ' O ' HG22 ' A' ' 31' ' ' VAL . 1.7 mp0 -107.38 172.67 6.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 0.772 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.7 p -111.16 131.04 55.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.031 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 1.037 HD22 ' O ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -139.3 156.69 46.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.929 ' CG ' HG23 ' A' ' 25' ' ' VAL . 0.5 OUTLIER -81.79 133.12 35.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 110.305 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 1.158 HG13 ' CE2' ' A' ' 27' ' ' TYR . 2.3 t -103.46 126.54 57.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.948 HG21 ' H ' ' A' ' 57' ' ' GLN . 4.8 mt -92.15 -137.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.948 ' H ' HG21 ' A' ' 56' ' ' ILE . 29.9 mm-40 -94.59 155.03 17.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.304 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.566 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 6.6 p -67.53 122.48 18.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 110.425 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.517 ' HB ' ' CG ' ' A' ' 63' ' ' LYS . 1.3 m -55.34 -75.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.367 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.407 ' CG ' ' N ' ' A' ' 61' ' ' ASP . 4.7 t70 -105.72 -91.18 0.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.407 ' N ' ' CG ' ' A' ' 60' ' ' ASP . 6.6 m-20 -117.82 -57.05 2.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.428 HG21 ' CB ' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -117.52 68.3 0.75 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 110.415 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.566 ' O ' ' HA ' ' A' ' 58' ' ' THR . 0.1 OUTLIER -155.54 131.6 10.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 -179.918 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.721 ' O ' HG11 ' A' ' 76' ' ' VAL . 22.6 m -121.57 130.61 74.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.24 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.769 ' CD2' HD11 ' A' ' 56' ' ' ILE . 0.5 OUTLIER -87.81 124.47 33.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.573 1.171 . . . . 0.0 109.325 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.766 ' SG ' HD21 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -89.68 157.42 18.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 108.265 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.679 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 0.4 OUTLIER -134.67 145.83 48.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.319 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -118.63 130.77 56.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -54.2 -18.52 3.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.464 1.103 . . . . 0.0 110.261 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -73.23 -4.77 35.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 110.288 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 88.21 17.49 57.37 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.538 1.149 . . . . 0.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.442 ' CG ' ' HG2' ' A' ' 9' ' ' GLU . 9.2 ttpt -113.6 124.17 51.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 0.779 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.859 ' HH ' HG23 ' A' ' 23' ' ' ILE . 6.3 m-85 -101.72 161.0 13.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.995 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.568 ' HA3' HD12 ' A' ' 45' ' ' LEU . . . -156.6 159.55 29.59 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.539 1.149 . . . . 0.0 110.97 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.869 ' CZ ' ' CE2' ' A' ' 17' ' ' PHE . 2.4 m-85 -104.06 150.16 24.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.721 HG11 ' O ' ' A' ' 64' ' ' VAL . 1.3 p -138.66 125.21 25.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.46 HD22 ' H ' ' A' ' 78' ' ' ARG . 0.1 OUTLIER -77.65 141.89 39.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.595 ' HA ' HD22 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -56.96 -21.33 29.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.165 . . . . 0.0 110.3 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.437 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 27.7 t -50.31 -59.75 3.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 109.94 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.767 ' CE1' ' CG2' ' A' ' 36' ' ' THR . 20.6 p90 -116.46 84.2 2.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 111.042 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.955 HD11 ' H ' ' A' ' 82' ' ' ALA . 0.1 OUTLIER -166.05 174.48 9.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.955 ' H ' HD11 ' A' ' 81' ' ' LEU . . . -83.16 173.7 11.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.552 ' OD1' ' N ' ' A' ' 83' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.7 mttm -83.32 -12.04 57.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.0 -24.92 66.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.263 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -61.4 -41.65 97.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.346 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.7 mmtm -70.64 -33.77 71.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.448 ' O ' ' HB3' ' A' ' 15' ' ' LYS . 4.6 t70 -74.92 -31.53 61.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.968 ' CE2' ' CD2' ' A' ' 17' ' ' PHE . 1.6 t80 -62.56 -53.57 52.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 111.026 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.448 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 13.2 ptm180 -60.47 -29.21 68.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.306 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.448 ' HB3' ' O ' ' A' ' 12' ' ' ASP . 0.4 OUTLIER -54.49 -58.71 6.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.408 ' HG2' ' HD3' ' A' ' 43' ' ' ARG . 1.1 tttt -84.84 -30.67 24.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 1.219 ' O ' ' N ' ' A' ' 19' ' ' TYR . 6.5 m-85 -87.21 29.4 0.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 111.013 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -34.64 6.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 1.219 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -65.03 122.01 16.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.969 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -100.67 98.02 8.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.27 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.686 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.49 -169.89 15.81 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.526 1.141 . . . . 0.0 110.957 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -102.01 91.83 4.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 0.74 . . . . 0.0 110.337 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.821 HD12 ' CE2' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -66.31 108.66 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.421 ' H ' HG22 ' A' ' 56' ' ' ILE . 0.2 OUTLIER -154.41 146.37 23.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.335 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 1.007 HG13 ' CG ' ' A' ' 54' ' ' GLU . 32.7 t -95.5 99.48 9.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -90.79 -48.7 6.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 1.159 ' CE2' HG13 ' A' ' 55' ' ' VAL . 30.0 p90 -126.6 87.43 2.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.993 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.648 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 43.0 p -71.08 111.73 6.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.98 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.705 HG21 ' CG2' ' A' ' 55' ' ' VAL . 1.3 t -90.99 161.1 15.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 110.409 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.756 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 1.4 ttmm -99.86 138.17 37.31 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.711 HG22 ' O ' ' A' ' 51' ' ' GLU . 1.7 t -71.2 121.51 21.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.83 HG21 ' H ' ' A' ' 34' ' ' SER . 1.3 m -74.7 134.93 41.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.397 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.52 ' O ' ' HB2' ' A' ' 49' ' ' PRO . 8.8 t -46.13 -15.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.408 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.83 ' H ' HG21 ' A' ' 32' ' ' THR . 1.4 p -95.68 13.4 26.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.978 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.722 HG21 ' CA ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -71.08 172.92 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.949 HG22 ' CZ3' ' A' ' 40' ' ' TRP . 2.2 t -70.52 121.95 18.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.409 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.45 ' HB3' ' CD ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER -118.58 -27.76 5.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.948 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.431 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 5.3 ptpt -104.68 -47.5 4.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.35 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.589 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -67.7 125.08 25.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.949 ' CZ3' HG22 ' A' ' 36' ' ' THR . 5.7 m95 -144.05 134.37 24.49 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.433 ' H ' ' HB3' ' A' ' 44' ' ' ASP . . . -118.96 158.67 14.76 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.5 t -58.38 -36.55 73.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 110.46 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.618 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 1.1 mtm-85 -95.0 6.81 48.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.1 . . . . 0.0 110.316 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.452 ' OD1' ' O ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -105.79 163.36 12.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.897 HD12 ' HA3' ' A' ' 74' ' ' GLY . 4.0 tp -97.74 155.1 17.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.342 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.555 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 5.6 tt0 -88.26 33.09 0.74 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.557 1.161 . . . . 0.0 110.328 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.809 ' O ' ' CH2' ' A' ' 40' ' ' TRP . 27.6 m -62.92 161.5 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.443 ' HZ2' ' HG2' ' A' ' 46' ' ' GLN . 0.1 OUTLIER -115.87 152.96 48.07 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.316 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.722 ' CA ' HG21 ' A' ' 35' ' ' ILE . 18.3 Cg_endo -75.03 131.42 14.23 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.512 1.796 . . . . 0.0 110.98 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 95.29 9.81 57.66 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.446 1.091 . . . . 0.0 111.003 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.711 ' O ' HG22 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -104.52 172.29 6.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 0.791 . . . . 0.0 110.307 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -113.34 129.86 56.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.026 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 1.071 HD22 ' O ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -140.42 157.09 46.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 0.0 109.341 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 1.007 ' CG ' HG13 ' A' ' 25' ' ' VAL . 0.4 OUTLIER -79.46 134.68 36.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.119 . . . . 0.0 110.273 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 1.159 HG13 ' CE2' ' A' ' 27' ' ' TYR . 2.3 t -103.28 126.65 57.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.968 HG21 ' H ' ' A' ' 57' ' ' GLN . 7.7 mt -93.21 -137.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.968 ' H ' HG21 ' A' ' 56' ' ' ILE . 13.2 tt0 -94.77 154.05 17.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.282 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.557 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 3.3 p -66.66 121.38 15.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.398 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.517 ' OG1' ' CE1' ' A' ' 75' ' ' TYR . 1.3 m -54.42 -75.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.395 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.427 ' CG ' ' N ' ' A' ' 61' ' ' ASP . 3.7 t70 -105.59 -91.25 0.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.163 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.427 ' N ' ' CG ' ' A' ' 60' ' ' ASP . 61.9 m-20 -117.68 -57.43 2.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.634 HG21 ' CB ' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -117.37 69.07 0.76 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 110.373 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.557 ' O ' ' HA ' ' A' ' 58' ' ' THR . 1.9 tppt? -156.38 130.35 8.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 1.011 ' O ' HG11 ' A' ' 76' ' ' VAL . 31.9 m -118.91 132.05 69.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.992 HD11 ' O ' ' A' ' 74' ' ' GLY . 16.1 tp -88.11 127.31 35.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.584 ' HB2' HD13 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -91.16 155.82 18.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 108.309 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.657 ' HG3' ' CD2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -137.9 136.56 37.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.283 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.465 ' ND2' ' O ' ' A' ' 72' ' ' LYS . 0.3 OUTLIER -121.98 142.47 50.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 109.329 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.14 -13.57 0.87 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 110.256 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.443 ' H ' ' C ' ' A' ' 68' ' ' ASN . 2.0 tp10 -64.92 -7.24 10.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 85.0 -0.18 89.06 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.538 1.149 . . . . 0.0 110.988 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.481 ' HE3' HD13 ' A' ' 45' ' ' LEU . 3.4 ttpt -103.46 156.76 17.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 0.766 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.821 ' CE2' HD12 ' A' ' 23' ' ' ILE . 2.3 m-85 -124.99 165.74 17.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 110.968 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.992 ' O ' HD11 ' A' ' 65' ' ' LEU . . . -155.52 159.04 28.92 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.49 1.119 . . . . 0.0 110.979 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.855 ' CE2' ' CE2' ' A' ' 17' ' ' PHE . 3.5 m-85 -104.37 152.92 21.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 0.776 . . . . 0.0 111.03 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 1.011 HG11 ' O ' ' A' ' 64' ' ' VAL . 11.8 p -138.94 125.96 25.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.415 HD22 ' HA ' ' A' ' 77' ' ' LEU . 0.1 OUTLIER -76.34 140.32 41.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.634 ' CB ' HG21 ' A' ' 62' ' ' THR . 0.0 OUTLIER -57.8 -20.72 37.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 110.319 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.469 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 12.2 t -50.78 -59.69 3.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.0 110.0 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.729 ' CE1' ' CG2' ' A' ' 36' ' ' THR . 10.6 p90 -117.04 83.57 2.0 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 111.017 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.828 HD11 ' H ' ' A' ' 82' ' ' ALA . 0.1 OUTLIER -166.01 174.72 9.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.828 ' H ' HD11 ' A' ' 81' ' ' LEU . . . -77.52 173.29 12.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.8 mtmt -62.37 -11.44 15.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 109.333 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -59.75 -25.4 64.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.285 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -61.18 -38.63 87.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.268 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.03 -29.66 66.77 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.753 ' O ' ' HG3' ' A' ' 15' ' ' LYS . 11.9 t70 -61.42 -31.54 71.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.887 ' CE2' ' CD2' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -81.45 -49.56 10.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 111.022 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.576 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 1.8 ttm180 -58.48 -36.65 74.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 110.335 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.753 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -51.09 -56.87 10.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.492 ' H ' ' HG3' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -83.29 -33.88 25.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 109.303 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 1.191 ' O ' ' N ' ' A' ' 19' ' ' TYR . 11.2 m-85 -87.68 29.5 0.89 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.985 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -34.85 7.1 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 1.191 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -64.79 122.13 16.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 111.023 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -99.54 98.13 9.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.682 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.64 -170.05 16.05 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.565 1.166 . . . . 0.0 110.956 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -100.44 92.49 5.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 0.781 . . . . 0.0 110.285 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.942 HD12 ' CE2' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -69.3 108.18 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.265 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.417 ' NH1' ' HB2' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -154.4 117.61 4.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.995 HG13 ' OE2' ' A' ' 54' ' ' GLU . 7.5 p -65.91 100.4 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -89.87 -49.59 6.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 1.122 ' CE2' HG13 ' A' ' 55' ' ' VAL . 36.6 p90 -128.15 87.12 2.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 111.032 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.685 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 64.3 p -73.01 110.53 7.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 109.976 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 1.066 HG23 HD23 ' A' ' 81' ' ' LEU . 1.3 t -86.08 160.74 19.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.394 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.616 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 0.6 OUTLIER -100.79 136.85 39.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.664 ' CG1' HD11 ' A' ' 35' ' ' ILE . 1.6 t -72.8 129.54 35.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.52 ' O ' ' N ' ' A' ' 50' ' ' GLY . 3.3 t -81.23 178.68 8.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.374 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.433 ' N ' ' OG1' ' A' ' 32' ' ' THR . 4.2 t -81.26 -16.19 53.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 110.4 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.9 t -97.46 14.07 27.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 0.0 109.99 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.694 HG21 ' CA ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -70.22 171.72 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 109.315 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.897 HG22 ' CZ3' ' A' ' 40' ' ' TRP . 3.4 t -69.05 117.7 11.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 110.365 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.52 -27.99 5.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.974 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.43 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 5.4 ptpp? -103.4 -47.69 4.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.565 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -67.78 123.8 21.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.137 . . . . 0.0 109.295 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.897 ' CZ3' HG22 ' A' ' 36' ' ' THR . 7.1 m95 -143.74 129.65 19.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 108.022 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -118.63 158.96 14.57 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.567 1.167 . . . . 0.0 111.02 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.3 t -56.46 -34.47 66.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.544 0.79 . . . . 0.0 110.429 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.633 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 6.9 mtm180 -96.67 6.11 49.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.13 . . . . 0.0 110.298 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.65 162.68 13.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.87 HD22 ' CG1' ' A' ' 47' ' ' VAL . 6.2 tp -98.03 154.54 17.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.609 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 5.6 tt0 -88.98 31.64 0.85 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 110.344 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.87 ' CG1' HD22 ' A' ' 45' ' ' LEU . 21.5 m -64.3 160.97 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.133 . . . . 0.0 109.313 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.54 156.68 45.73 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.694 ' CA ' HG21 ' A' ' 35' ' ' ILE . 18.3 Cg_endo -74.98 125.48 9.36 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.528 1.804 . . . . 0.0 111.023 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 32' ' ' THR . . . 100.52 13.91 33.99 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.652 ' O ' HG22 ' A' ' 31' ' ' VAL . 3.3 tt0 -109.66 172.41 6.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 0.778 . . . . 0.0 110.279 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -109.95 131.67 54.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.976 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 1.074 HD22 ' O ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -139.83 152.94 46.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.268 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.995 ' OE2' HG13 ' A' ' 25' ' ' VAL . 3.8 mt-10 -79.22 132.88 36.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.115 . . . . 0.0 110.329 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 1.122 HG13 ' CE2' ' A' ' 27' ' ' TYR . 2.5 t -104.24 127.13 58.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.342 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.96 HG21 ' H ' ' A' ' 57' ' ' GLN . 5.2 mt -92.78 -137.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.96 ' H ' HG21 ' A' ' 56' ' ' ILE . 29.2 mm100 -94.27 154.97 17.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.282 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.561 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 4.5 p -67.27 121.26 15.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 110.374 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.502 ' HB ' ' CG ' ' A' ' 63' ' ' LYS . 1.2 m -54.01 -75.35 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.093 . . . . 0.0 110.42 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.417 ' CG ' ' N ' ' A' ' 61' ' ' ASP . 4.1 t0 -105.56 -91.61 0.39 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.417 ' N ' ' CG ' ' A' ' 60' ' ' ASP . 0.5 OUTLIER -117.35 -57.39 2.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.479 HG23 ' CD ' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -117.67 68.87 0.76 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 110.415 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.678 ' HZ2' ' HB3' ' A' ' 75' ' ' TYR . 2.5 tppp? -154.83 130.03 9.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.357 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.746 HG11 ' HH ' ' A' ' 27' ' ' TYR . 8.0 m -120.21 127.37 75.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.816 ' CD2' HD11 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -87.61 129.17 35.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.79 ' SG ' HD21 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -90.76 157.6 17.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 108.299 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.721 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -134.57 145.26 48.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 110.32 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -119.02 133.65 55.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 33.8 tp10 -54.37 -18.06 3.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.303 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -76.66 -4.34 42.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.312 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 88.61 11.61 65.8 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.511 1.132 . . . . 0.0 110.967 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.3 ttpt -102.25 123.45 46.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 0.757 . . . . 0.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.942 ' CE2' HD12 ' A' ' 23' ' ' ILE . 4.8 m-85 -105.86 160.07 15.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.468 ' HA3' HD12 ' A' ' 45' ' ' LEU . . . -157.0 159.33 29.55 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.889 ' CZ ' ' CE2' ' A' ' 17' ' ' PHE . 2.8 m-85 -102.53 153.19 20.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 0.743 . . . . 0.0 111.064 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.454 ' O ' ' CD ' ' A' ' 63' ' ' LYS . 2.2 t -142.42 124.97 13.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.505 HD22 ' H ' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -74.21 143.14 45.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 109.328 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.505 ' H ' HD22 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -56.58 -21.07 24.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.142 . . . . 0.0 110.316 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.405 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 11.6 t -49.7 -59.42 3.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.034 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.723 ' CE1' ' CG2' ' A' ' 36' ' ' THR . 18.8 p90 -116.31 80.36 1.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 111.013 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 1.158 HD21 ' N ' ' A' ' 82' ' ' ALA . 0.3 OUTLIER -166.68 142.37 4.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 109.296 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 1.158 ' N ' HD21 ' A' ' 81' ' ' LEU . . . -53.46 168.07 0.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.974 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -81.8 -13.0 58.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -69.15 -25.65 64.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.324 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -61.71 -31.42 71.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.091 . . . . 0.0 110.316 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.613 ' HE3' HH21 ' A' ' 14' ' ' ARG . 10.1 mmtp -65.56 -32.93 74.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -62.35 -39.35 92.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.918 ' CE2' ' CD2' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -67.73 -52.41 37.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.981 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.613 HH21 ' HE3' ' A' ' 11' ' ' LYS . 1.7 ttp-105 -59.62 -28.34 67.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.61 -59.16 5.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.473 ' CG ' ' HD3' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -85.05 -29.81 24.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 1.195 ' O ' ' N ' ' A' ' 19' ' ' TYR . 9.5 m-85 -88.02 29.54 0.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 111.033 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -34.96 6.91 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 1.195 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -65.36 122.73 17.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.971 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -101.58 98.02 8.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.675 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.47 -170.32 16.22 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -100.55 92.67 5.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 0.769 . . . . 0.0 110.255 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.865 HG12 HD12 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -70.74 108.54 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -154.56 121.24 5.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 110.325 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 1.107 HG23 ' CG ' ' A' ' 54' ' ' GLU . 3.6 p -66.61 99.55 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.29 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.08 -48.0 7.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 1.028 ' CE2' HG13 ' A' ' 55' ' ' VAL . 37.5 p90 -126.45 88.51 2.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.612 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 13.5 t -73.65 109.67 7.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 109.982 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.79 HG23 HD23 ' A' ' 81' ' ' LEU . 0.7 OUTLIER -93.68 161.37 14.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.405 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.8 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 0.1 OUTLIER -101.93 139.24 37.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.69 HG22 ' O ' ' A' ' 51' ' ' GLU . 1.5 t -71.91 139.51 19.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.82 HG21 ' H ' ' A' ' 34' ' ' SER . 1.2 m -84.43 133.1 34.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.391 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.526 ' O ' ' HB2' ' A' ' 49' ' ' PRO . 5.9 t -47.53 -11.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.373 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.82 ' H ' HG21 ' A' ' 32' ' ' THR . 0.1 OUTLIER -104.15 15.5 28.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 110.043 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.75 HG21 ' CA ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -70.02 173.88 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.91 HG22 ' CZ3' ' A' ' 40' ' ' TRP . 5.4 t -68.61 119.63 13.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.401 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.445 ' OG ' ' HG3' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -116.31 -26.89 7.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.013 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.451 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -103.26 -49.07 3.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.326 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.478 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -66.69 124.89 24.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.91 ' CZ3' HG22 ' A' ' 36' ' ' THR . 8.1 m95 -144.25 140.03 29.0 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.402 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -119.65 160.81 14.37 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.477 1.111 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.3 m -58.17 -37.11 74.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 0.762 . . . . 0.0 110.382 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.621 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 1.2 mtm180 -98.12 9.72 42.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.245 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.402 ' CB ' ' H ' ' A' ' 41' ' ' GLY . 0.4 OUTLIER -101.97 162.62 12.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 109.332 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.893 HD22 ' CG1' ' A' ' 47' ' ' VAL . 6.7 tp -98.13 154.7 17.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.57 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 5.6 tt0 -88.92 32.74 0.8 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.281 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.893 ' CG1' HD22 ' A' ' 45' ' ' LEU . 22.1 m -64.04 153.06 7.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.54 156.43 35.9 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.276 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.75 ' CA ' HG21 ' A' ' 35' ' ' ILE . 18.2 Cg_endo -74.97 127.89 11.07 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.489 1.784 . . . . 0.0 110.972 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 97.55 12.19 48.63 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.69 ' O ' HG22 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -99.66 171.74 7.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 0.757 . . . . 0.0 110.285 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.3 p -131.73 126.32 34.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 110.031 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.945 HD23 ' HB3' ' A' ' 66' ' ' CYS . 0.0 OUTLIER -140.95 170.12 16.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 1.107 ' CG ' HG23 ' A' ' 25' ' ' VAL . 0.4 OUTLIER -77.01 132.2 38.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 110.285 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 1.028 HG13 ' CE2' ' A' ' 27' ' ' TYR . 2.1 t -103.53 132.76 49.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.97 HG21 ' H ' ' A' ' 57' ' ' GLN . 5.0 mt -91.62 -140.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.97 ' H ' HG21 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -96.77 157.57 15.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.276 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.603 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 8.1 p -67.91 127.98 34.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.087 . . . . 0.0 110.401 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.704 HG23 ' HD3' ' A' ' 63' ' ' LYS . 2.4 m -58.55 -75.63 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.388 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.407 ' CG ' ' N ' ' A' ' 61' ' ' ASP . 5.5 t0 -105.65 -92.15 0.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.407 ' N ' ' CG ' ' A' ' 60' ' ' ASP . 45.8 m-20 -117.91 -56.56 2.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.807 HG21 ' CB ' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -115.02 67.09 0.69 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.421 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.704 ' HD3' HG23 ' A' ' 59' ' ' THR . 18.4 tttp -158.69 131.15 6.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.424 1.077 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 1.042 ' O ' HG11 ' A' ' 76' ' ' VAL . 6.0 m -123.21 130.65 74.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.828 HD11 ' O ' ' A' ' 74' ' ' GLY . 12.3 tp -88.13 119.25 28.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.945 ' HB3' HD23 ' A' ' 53' ' ' LEU . 63.0 m -97.26 157.99 15.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.421 1.076 . . . . 0.0 108.272 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.649 ' HG3' ' CD2' ' A' ' 73' ' ' TYR . 3.5 ttp180 -134.4 144.86 48.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.262 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.632 ' OD1' HD23 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -119.08 140.56 49.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.438 ' C ' ' H ' ' A' ' 71' ' ' GLY . 1.4 tm-20 -54.92 -14.4 1.45 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.439 1.087 . . . . 0.0 110.274 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -59.12 -9.65 2.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.543 1.152 . . . . 0.0 110.303 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.438 ' H ' ' C ' ' A' ' 69' ' ' GLU . . . 86.13 15.02 65.57 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.494 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 5.0 tttt -122.86 156.03 35.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 0.79 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.813 ' CE2' HD12 ' A' ' 23' ' ' ILE . 26.6 m-85 -114.88 160.57 19.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 110.98 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.828 ' O ' HD11 ' A' ' 65' ' ' LEU . . . -156.26 158.86 28.98 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.509 1.131 . . . . 0.0 111.023 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.887 ' CD2' ' CZ ' ' A' ' 17' ' ' PHE . 2.4 m-85 -104.96 151.81 23.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 0.76 . . . . 0.0 110.983 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 1.042 HG11 ' O ' ' A' ' 64' ' ' VAL . 10.6 p -134.9 125.38 45.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 109.269 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.503 HD22 ' H ' ' A' ' 78' ' ' ARG . 0.1 OUTLIER -74.69 143.55 44.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.267 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.807 ' CB ' HG21 ' A' ' 62' ' ' THR . 0.0 OUTLIER -56.98 -23.48 46.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.277 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.6 t -50.04 -59.13 4.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.979 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.799 ' CE1' HG23 ' A' ' 36' ' ' THR . 8.5 p90 -117.37 80.29 1.47 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 1.175 HD21 ' N ' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -164.34 140.78 6.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.322 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 1.175 ' N ' HD21 ' A' ' 81' ' ' LEU . . . -55.08 171.77 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 0.0 109.328 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.882 ' CE2' ' CD2' ' A' ' 17' ' ' PHE . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.26 0 CA-C-O 120.484 0.183 . . . . 0.0 110.997 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.471 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 18.9 ttm180 -59.99 -28.16 67.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.288 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.48 ' CE ' ' HB2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -54.58 -59.49 4.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.489 ' HG2' ' CD ' ' A' ' 43' ' ' ARG . 29.8 tptt -85.13 -31.16 23.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 1.197 ' O ' ' N ' ' A' ' 19' ' ' TYR . 7.8 m-85 -87.58 29.69 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 110.979 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -35.53 7.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 1.197 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -64.07 122.43 16.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.979 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -101.51 98.11 8.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.687 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.43 -169.83 15.71 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -102.2 91.83 4.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 0.727 . . . . 0.0 110.291 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.886 HD13 ' CE2' ' A' ' 73' ' ' TYR . 0.3 OUTLIER -68.46 108.75 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.262 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -154.19 116.02 4.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.304 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 1.115 HG21 ' CG ' ' A' ' 54' ' ' GLU . 3.7 p -66.31 99.46 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.41 -47.52 7.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 1.102 ' CE2' HG11 ' A' ' 55' ' ' VAL . 31.9 p90 -125.81 88.59 2.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.983 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.682 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 96.8 p -71.83 111.2 6.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.983 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.841 HG21 HD11 ' A' ' 81' ' ' LEU . 1.6 t -90.36 161.14 15.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.381 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.841 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 6.6 mtpt -100.27 138.12 37.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 51' ' ' GLU . 2.1 t -71.26 118.01 15.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.853 HG22 ' H ' ' A' ' 34' ' ' SER . 1.3 m -74.68 134.35 41.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 110.352 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.551 ' O ' ' HB2' ' A' ' 49' ' ' PRO . 8.8 t -43.51 -19.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.414 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.853 ' H ' HG22 ' A' ' 32' ' ' THR . 1.5 p -89.93 14.01 13.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.022 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.677 HG12 ' O ' ' A' ' 80' ' ' TYR . 0.0 OUTLIER -71.24 173.37 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.876 HG23 ' CZ3' ' A' ' 40' ' ' TRP . 1.9 t -70.74 119.8 15.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 110.385 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.75 -27.48 5.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 109.993 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.434 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 4.7 ptpp? -104.37 -47.67 4.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.598 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -67.41 124.54 23.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.876 ' CZ3' HG23 ' A' ' 36' ' ' THR . 6.1 m95 -144.4 128.24 17.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 107.999 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.461 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -118.17 159.75 14.13 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.538 1.149 . . . . 0.0 110.954 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.8 t -56.79 -36.03 69.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 0.768 . . . . 0.0 110.408 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.697 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 5.6 mtm105 -96.66 7.2 47.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 110.293 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.461 ' CB ' ' H ' ' A' ' 41' ' ' GLY . 0.3 OUTLIER -103.97 163.05 12.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 0.0 109.247 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 1.033 HD23 ' CG1' ' A' ' 47' ' ' VAL . 7.7 tp -97.53 149.7 21.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.593 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 5.2 tt0 -88.07 31.28 0.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.278 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 1.033 ' CG1' HD23 ' A' ' 45' ' ' LEU . 16.4 m -64.62 161.07 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.112 . . . . 0.0 109.278 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.411 ' HE2' ' N ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -112.46 156.22 42.57 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.67 ' CA ' HG22 ' A' ' 35' ' ' ILE . 18.3 Cg_endo -75.04 130.34 13.14 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.535 1.808 . . . . 0.0 110.998 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.54 10.54 47.14 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.459 1.1 . . . . 0.0 111.026 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.636 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.7 OUTLIER -102.8 171.79 7.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 0.753 . . . . 0.0 110.296 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 26.9 t -126.76 129.93 49.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.995 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.79 HD23 ' HB3' ' A' ' 66' ' ' CYS . 32.9 tp -140.26 165.25 27.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 1.115 ' CG ' HG21 ' A' ' 25' ' ' VAL . 0.6 OUTLIER -78.13 133.69 37.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.326 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 1.102 HG11 ' CE2' ' A' ' 27' ' ' TYR . 2.1 t -102.65 128.21 55.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.971 HG22 ' H ' ' A' ' 57' ' ' GLN . 3.5 mt -91.46 -138.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.971 ' H ' HG22 ' A' ' 56' ' ' ILE . 27.0 mm100 -94.49 156.56 16.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.326 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.689 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 7.1 p -67.36 122.44 17.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 110.433 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.535 ' HB ' ' HB3' ' A' ' 63' ' ' LYS . 1.1 m -54.24 -74.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.416 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.415 ' N ' HG22 ' A' ' 59' ' ' THR . 1.6 m-20 -104.64 -91.58 0.38 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -117.59 -57.35 2.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.319 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.481 ' O ' ' HB3' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -117.84 69.98 0.79 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.413 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.689 ' O ' ' HA ' ' A' ' 58' ' ' THR . 4.9 tttt -156.94 130.77 8.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.683 HG22 HD22 ' A' ' 81' ' ' LEU . 4.1 m -120.8 127.37 75.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.924 HD12 ' O ' ' A' ' 74' ' ' GLY . 0.7 OUTLIER -89.0 121.81 31.73 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.447 1.092 . . . . 0.0 109.318 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.79 ' HB3' HD23 ' A' ' 53' ' ' LEU . 21.8 m -91.43 155.47 18.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 108.356 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.772 ' O ' HD11 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -135.25 140.18 45.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 110.276 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.418 ' C ' ' N ' ' A' ' 70' ' ' GLU . 0.3 OUTLIER -120.74 140.99 50.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.24 -12.35 0.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.276 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.418 ' N ' ' C ' ' A' ' 68' ' ' ASN . 2.0 tp10 -59.29 -11.31 3.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.42 13.92 67.06 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.547 1.154 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.446 ' HG2' ' N ' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -124.77 147.76 48.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 0.761 . . . . 0.0 109.282 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.886 ' CE2' HD13 ' A' ' 23' ' ' ILE . 10.0 m-85 -111.08 167.15 10.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.568 1.168 . . . . 0.0 110.995 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.924 ' O ' HD12 ' A' ' 65' ' ' LEU . . . -157.72 158.41 29.03 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.516 1.135 . . . . 0.0 110.972 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.893 ' CZ ' ' CE2' ' A' ' 17' ' ' PHE . 1.9 m-85 -105.42 153.93 21.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 0.778 . . . . 0.0 110.978 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.749 HG21 ' SG ' ' A' ' 66' ' ' CYS . 2.4 t -142.65 126.31 14.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.539 HD22 ' CD ' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -80.48 143.81 33.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.539 ' CD ' HD22 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -57.6 -22.14 43.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.56 -58.75 4.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.021 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.753 ' CE1' ' CG2' ' A' ' 36' ' ' THR . 20.1 p90 -117.88 83.79 2.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 0.0 111.003 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.871 HD12 ' H ' ' A' ' 82' ' ' ALA . 0.1 OUTLIER -165.91 173.6 10.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.871 ' H ' HD12 ' A' ' 81' ' ' LEU . . . -80.46 174.62 11.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.986 ' CE1' ' CD2' ' A' ' 17' ' ' PHE . 13.9 t80 . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.458 0.171 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.9 ptt85 -59.82 -30.31 68.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 110.323 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.53 -58.6 6.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.254 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.49 ' CG ' ' HD3' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -84.25 -34.12 23.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 1.177 ' O ' ' N ' ' A' ' 19' ' ' TYR . 10.7 m-85 -87.96 27.63 1.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -36.01 8.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.346 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 1.177 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -63.75 122.12 15.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.115 . . . . 0.0 111.003 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -100.74 98.33 8.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.692 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.15 -169.68 15.4 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -100.87 91.95 4.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 0.745 . . . . 0.0 110.311 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.936 HD13 ' CE2' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -68.58 108.43 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -154.85 119.3 4.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.28 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 1.069 HG21 ' CG ' ' A' ' 54' ' ' GLU . 7.4 p -66.81 100.33 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -90.41 -49.19 6.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.234 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 1.098 ' CE2' HG11 ' A' ' 55' ' ' VAL . 30.6 p90 -126.67 88.28 2.8 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.513 1.133 . . . . 0.0 111.048 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.699 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 78.8 p -72.09 111.4 7.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.991 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.807 HG21 HD11 ' A' ' 81' ' ' LEU . 1.7 t -91.59 161.31 14.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.412 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.839 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -100.06 138.66 36.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 51' ' ' GLU . 2.0 t -71.51 123.88 26.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.86 HG22 ' H ' ' A' ' 34' ' ' SER . 1.3 m -78.19 134.46 37.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.358 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.563 ' O ' ' HB2' ' A' ' 49' ' ' PRO . 14.5 t -44.57 -17.85 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 110.427 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.86 ' H ' HG22 ' A' ' 32' ' ' THR . 0.1 OUTLIER -93.4 14.0 19.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.999 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.683 HG22 ' CA ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -70.66 173.57 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.87 HG23 ' CZ3' ' A' ' 40' ' ' TRP . 2.0 t -70.16 119.14 13.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 110.394 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.442 ' HB3' ' CD ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -118.29 -26.93 6.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.999 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.43 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 4.5 ptpt -104.6 -47.45 4.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.607 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -67.62 124.54 23.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.335 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.87 ' CZ3' HG23 ' A' ' 36' ' ' THR . 5.8 m95 -144.6 125.23 14.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 108.02 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.476 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -116.16 160.1 13.54 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.501 1.126 . . . . 0.0 111.046 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.7 t -56.5 -36.25 68.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 0.743 . . . . 0.0 110.406 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.675 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 5.1 mtm180 -95.72 6.9 47.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.341 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.489 ' OD1' ' O ' ' A' ' 75' ' ' TYR . 0.4 OUTLIER -104.58 161.8 13.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 1.014 HD23 ' CG1' ' A' ' 47' ' ' VAL . 7.1 tp -97.24 151.43 19.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.575 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 5.5 tt0 -88.05 30.78 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.323 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 1.014 ' CG1' HD23 ' A' ' 45' ' ' LEU . 17.9 m -64.57 160.35 3.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.427 1.079 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.63 154.97 44.55 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.683 ' CA ' HG22 ' A' ' 35' ' ' ILE . 18.4 Cg_endo -75.0 130.49 13.32 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.523 1.801 . . . . 0.0 111.01 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.22 10.48 48.33 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.469 1.106 . . . . 0.0 110.998 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.67 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.4 OUTLIER -104.33 172.27 6.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.571 0.806 . . . . 0.0 110.334 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.05 129.41 50.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.984 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.796 HD11 ' O ' ' A' ' 67' ' ' ARG . 29.1 tp -139.73 164.13 30.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 1.069 ' CG ' HG21 ' A' ' 25' ' ' VAL . 0.6 OUTLIER -77.72 132.75 38.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.303 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 1.098 HG11 ' CE2' ' A' ' 27' ' ' TYR . 2.1 t -102.23 129.54 53.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.959 HG22 ' H ' ' A' ' 57' ' ' GLN . 3.6 mt -91.97 -137.91 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.959 ' H ' HG22 ' A' ' 56' ' ' ILE . 13.2 tt0 -95.02 156.69 16.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 110.276 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.702 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 7.6 p -67.55 122.8 18.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.39 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.519 ' HB ' ' HB3' ' A' ' 63' ' ' LYS . 1.1 m -54.67 -74.1 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.12 . . . . 0.0 110.388 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.445 ' N ' HG22 ' A' ' 59' ' ' THR . 6.7 t0 -104.58 -92.01 0.37 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.426 ' N ' ' CG ' ' A' ' 60' ' ' ASP . 33.5 m-20 -117.97 -56.68 2.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.558 HG21 ' HD3' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -117.56 69.44 0.77 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.409 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.702 ' O ' ' HA ' ' A' ' 58' ' ' THR . 4.1 tttt -157.29 131.12 8.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.667 HG22 HD22 ' A' ' 81' ' ' LEU . 2.9 m -122.15 127.39 75.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 109.349 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.826 HD21 HD12 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -89.19 123.58 33.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.767 ' SG ' HG21 ' A' ' 76' ' ' VAL . 35.0 m -89.34 158.27 17.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 108.321 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.796 ' O ' HD11 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -133.66 145.47 49.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.498 ' OD1' HD21 ' A' ' 45' ' ' LEU . 4.9 m120 -111.34 136.37 50.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.81 -18.74 5.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 110.292 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -77.16 -4.25 43.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 87.98 21.44 46.2 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.49 1.119 . . . . 0.0 110.982 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.28 123.87 48.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 0.732 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.936 ' CE2' HD13 ' A' ' 23' ' ' ILE . 15.4 m-85 -106.64 154.63 20.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 111.006 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.836 ' HA3' HD13 ' A' ' 45' ' ' LEU . . . -157.1 160.5 30.48 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.511 1.132 . . . . 0.0 111.028 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.889 ' CZ ' ' CE2' ' A' ' 17' ' ' PHE . 3.1 m-85 -102.75 154.37 19.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 0.76 . . . . 0.0 111.006 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.767 HG21 ' SG ' ' A' ' 66' ' ' CYS . 2.6 t -142.74 125.54 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.456 ' CA ' ' HZ2' ' A' ' 63' ' ' LYS . 0.2 OUTLIER -78.33 143.31 37.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.558 ' HD3' HG21 ' A' ' 62' ' ' THR . 0.0 OUTLIER -57.7 -21.53 41.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.335 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.46 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 14.4 t -49.99 -59.26 4.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 0.0 109.976 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.738 ' CE1' ' CG2' ' A' ' 36' ' ' THR . 19.8 p90 -117.76 83.62 2.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 111.011 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.892 HD12 ' H ' ' A' ' 82' ' ' ALA . 0.2 OUTLIER -165.41 172.89 11.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.892 ' H ' HD12 ' A' ' 81' ' ' LEU . . . -79.87 174.4 11.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.095 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.82 ' CE2' ' CD2' ' A' ' 17' ' ' PHE . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.491 0.186 . . . . 0.0 110.98 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.461 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -59.9 -29.34 68.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.401 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -54.3 -59.34 4.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.443 ' CG ' ' HD3' ' A' ' 43' ' ' ARG . 4.2 tptp -83.97 -32.84 24.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 1.202 ' O ' ' N ' ' A' ' 19' ' ' TYR . 9.9 m-85 -87.95 29.62 0.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.968 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -35.04 7.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.259 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 1.202 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -64.34 122.21 16.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 111.002 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -100.71 98.06 8.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.685 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.55 -169.55 15.51 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.507 1.129 . . . . 0.0 110.976 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -102.66 92.74 4.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 0.774 . . . . 0.0 110.264 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.861 HG12 HD13 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -65.61 107.93 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -155.11 116.59 4.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.336 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 1.11 HG21 ' CG ' ' A' ' 54' ' ' GLU . 6.4 p -65.82 99.59 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -90.95 -48.15 7.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 1.087 ' CE2' HG11 ' A' ' 55' ' ' VAL . 37.4 p90 -126.51 87.76 2.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.99 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.711 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 74.0 p -72.23 110.51 6.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.999 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.909 ' OG1' ' HB3' ' A' ' 82' ' ' ALA . 2.0 t -85.48 159.73 19.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 110.385 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.787 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 0.5 OUTLIER -102.26 135.6 43.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 109.329 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.681 ' CG1' HD12 ' A' ' 35' ' ' ILE . 1.8 t -75.73 123.04 30.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.815 HG23 ' H ' ' A' ' 34' ' ' SER . 13.6 t -76.68 178.34 6.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.396 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.463 ' HA ' ' HB2' ' A' ' 49' ' ' PRO . 3.8 t -80.94 -14.92 57.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.401 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.815 ' H ' HG23 ' A' ' 32' ' ' THR . 11.0 t -98.08 14.41 27.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.041 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.69 HG22 ' CA ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -69.66 171.96 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.884 HG23 ' CZ3' ' A' ' 40' ' ' TRP . 3.6 t -69.15 116.88 10.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.378 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.63 -27.53 5.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.951 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.44 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -103.4 -48.11 4.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.09 . . . . 0.0 109.326 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.569 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -67.78 124.22 22.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.884 ' CZ3' HG23 ' A' ' 36' ' ' THR . 7.0 m95 -143.75 129.38 19.19 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.473 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -118.58 159.31 14.42 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.546 1.154 . . . . 0.0 111.018 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.5 t -56.14 -35.63 67.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 0.743 . . . . 0.0 110.381 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.677 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 0.0 OUTLIER -96.2 6.76 48.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.473 ' CB ' ' H ' ' A' ' 41' ' ' GLY . 0.4 OUTLIER -104.43 163.13 12.66 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.487 1.117 . . . . 0.0 109.244 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.867 HD13 ' HA3' ' A' ' 74' ' ' GLY . 3.7 tp -98.52 153.82 18.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 0.0 109.342 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.585 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 6.9 tt0 -89.2 31.48 0.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.283 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.772 ' O ' ' CH2' ' A' ' 40' ' ' TRP . 30.3 m -64.5 161.44 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.28 157.51 43.63 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.69 ' CA ' HG22 ' A' ' 35' ' ' ILE . 18.2 Cg_endo -75.02 129.09 12.0 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.537 1.809 . . . . 0.0 110.987 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 32' ' ' THR . . . 100.85 10.94 41.78 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.52 1.138 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.561 ' O ' HG23 ' A' ' 31' ' ' VAL . 4.0 tt0 -105.9 171.31 7.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.431 0.724 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.5 p -126.07 130.07 50.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.032 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.78 HD23 ' HB3' ' A' ' 66' ' ' CYS . 58.4 tp -139.4 163.72 31.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 109.28 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 1.11 ' CG ' HG21 ' A' ' 25' ' ' VAL . 0.6 OUTLIER -78.3 134.08 37.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 110.286 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 1.087 HG11 ' CE2' ' A' ' 27' ' ' TYR . 2.2 t -103.94 130.46 54.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.986 HG22 ' H ' ' A' ' 57' ' ' GLN . 6.0 mt -91.64 -138.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.986 ' H ' HG22 ' A' ' 56' ' ' ILE . 27.7 mm100 -94.91 156.87 16.16 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.558 1.161 . . . . 0.0 110.269 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.681 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 4.4 p -67.7 123.33 20.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.367 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.486 ' OG1' ' CE1' ' A' ' 75' ' ' TYR . 1.3 m -55.11 -75.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.354 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.434 ' CG ' ' N ' ' A' ' 61' ' ' ASP . 5.9 t0 -104.78 -91.63 0.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.252 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.434 ' N ' ' CG ' ' A' ' 60' ' ' ASP . 0.2 OUTLIER -117.43 -57.08 2.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.461 HG22 ' CB ' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -117.47 68.74 0.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 110.406 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.681 ' O ' ' HA ' ' A' ' 58' ' ' THR . 2.5 tppt? -156.06 129.08 8.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.928 HG22 HD13 ' A' ' 81' ' ' LEU . 3.3 m -121.33 126.62 75.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.898 HD21 HD12 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -87.71 122.14 31.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.258 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.78 ' HB3' HD23 ' A' ' 53' ' ' LEU . 4.0 m -92.5 155.12 18.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 108.268 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.749 ' O ' HD11 ' A' ' 53' ' ' LEU . 0.8 OUTLIER -137.21 142.76 42.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.275 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.507 ' N ' ' OD1' ' A' ' 68' ' ' ASN . 0.4 OUTLIER -120.7 149.15 42.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.359 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.51 -17.01 2.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 110.295 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.41 ' HB3' ' ND2' ' A' ' 68' ' ' ASN . 8.1 tp10 -59.16 -9.3 1.98 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 79.07 20.01 71.13 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.5 1.125 . . . . 0.0 111.025 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.404 ' O ' ' OD1' ' A' ' 68' ' ' ASN . 0.1 OUTLIER -118.72 147.91 43.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 0.753 . . . . 0.0 109.299 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.75 ' HB2' ' CD2' ' A' ' 13' ' ' PHE . 15.7 m-85 -117.11 157.65 25.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.103 . . . . 0.0 110.997 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.867 ' HA3' HD13 ' A' ' 45' ' ' LEU . . . -157.85 159.8 30.21 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.924 ' CZ ' ' CE2' ' A' ' 17' ' ' PHE . 8.1 m-85 -103.33 153.75 20.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 0.76 . . . . 0.0 111.017 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.64 HG21 ' SG ' ' A' ' 66' ' ' CYS . 4.0 t -143.39 126.58 13.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.422 HD23 ' H ' ' A' ' 78' ' ' ARG . 0.1 OUTLIER -71.74 142.26 49.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.536 ' CZ ' ' O ' ' A' ' 78' ' ' ARG . 0.0 OUTLIER -58.78 -20.36 49.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 110.312 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.471 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 13.1 t -47.43 -57.82 4.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.966 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.736 ' CE1' ' CG2' ' A' ' 36' ' ' THR . 13.7 p90 -115.9 85.07 2.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.988 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.928 HD13 HG22 ' A' ' 64' ' ' VAL . 0.3 OUTLIER -162.68 178.29 8.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.909 ' HB3' ' OG1' ' A' ' 29' ' ' THR . . . -88.27 176.95 7.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 -179.954 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.984 ' CE1' ' CD2' ' A' ' 17' ' ' PHE . 26.2 t80 . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.55 0.214 . . . . 0.0 111.008 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.401 ' O ' ' N ' ' A' ' 18' ' ' LYS . 6.8 ptm180 -60.02 -30.49 69.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.272 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.499 ' CE ' ' HB2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -54.29 -58.1 8.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.503 ' HG2' ' CD ' ' A' ' 43' ' ' ARG . 0.2 OUTLIER -84.67 -34.92 22.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 1.196 ' O ' ' N ' ' A' ' 19' ' ' TYR . 6.3 m-85 -88.38 27.57 1.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.082 . . . . 0.0 110.972 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 14' ' ' ARG . 0.3 OUTLIER -35.59 7.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.318 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 1.196 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -64.05 122.46 16.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.959 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.85 98.31 9.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.74 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -149.44 -169.92 16.41 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -102.59 92.64 4.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 0.756 . . . . 0.0 110.328 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.768 HD13 ' CE2' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -65.63 108.6 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.16 . . . . 0.0 109.266 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.74 144.28 22.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 110.336 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.984 HG11 ' HG2' ' A' ' 54' ' ' GLU . 75.2 t -95.57 100.15 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -92.46 -47.43 7.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 1.102 ' CE2' HG11 ' A' ' 55' ' ' VAL . 29.6 p90 -125.88 89.93 3.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.113 . . . . 0.0 111.011 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.729 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 79.5 p -72.03 111.7 7.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.017 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.728 HG21 HD11 ' A' ' 81' ' ' LEU . 1.0 OUTLIER -93.14 160.27 14.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.359 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.84 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 0.6 OUTLIER -101.45 138.94 37.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.429 1.081 . . . . 0.0 109.291 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.635 HG12 ' CB ' ' A' ' 35' ' ' ILE . 1.8 t -70.4 121.12 19.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.871 HG22 ' H ' ' A' ' 34' ' ' SER . 1.3 m -75.65 134.41 40.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.093 . . . . 0.0 110.425 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.577 ' O ' ' HB2' ' A' ' 49' ' ' PRO . 11.1 t -44.8 -16.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 110.428 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.871 ' H ' HG22 ' A' ' 32' ' ' THR . 0.2 OUTLIER -93.56 13.66 21.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.008 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.699 HG12 ' O ' ' A' ' 80' ' ' TYR . 0.0 OUTLIER -71.1 173.29 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.913 HG23 ' CZ3' ' A' ' 40' ' ' TRP . 2.4 t -70.52 121.31 17.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.389 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.432 ' HB2' ' CD ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -118.93 -27.52 5.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.988 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.43 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 0.2 OUTLIER -104.53 -47.37 4.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.29 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.612 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -67.2 123.93 21.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.913 ' CZ3' HG23 ' A' ' 36' ' ' THR . 5.8 m95 -144.06 128.14 17.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 107.97 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.44 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -118.62 159.52 14.34 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.7 t -56.7 -36.32 69.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 0.787 . . . . 0.0 110.38 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.668 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 2.1 mtm180 -96.45 7.14 47.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.273 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.44 ' CB ' ' H ' ' A' ' 41' ' ' GLY . 0.3 OUTLIER -104.9 163.12 12.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 1.049 HD23 ' CG1' ' A' ' 47' ' ' VAL . 8.6 tp -97.75 148.13 23.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.547 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 8.3 tt0 -87.48 31.1 0.76 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 1.049 ' CG1' HD23 ' A' ' 45' ' ' LEU . 23.3 m -64.18 161.6 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.33 154.24 43.76 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.137 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.698 ' CA ' HG22 ' A' ' 35' ' ' ILE . 18.2 Cg_endo -75.05 131.02 13.77 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.514 1.797 . . . . 0.0 110.966 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 98.66 9.02 53.79 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.515 1.135 . . . . 0.0 110.993 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.598 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.9 OUTLIER -100.7 171.59 7.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 0.768 . . . . 0.0 110.267 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.0 t -125.91 128.04 46.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.0 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.792 HD11 ' O ' ' A' ' 67' ' ' ARG . 51.7 tp -140.18 164.96 28.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.984 ' HG2' HG11 ' A' ' 25' ' ' VAL . 3.4 mt-10 -77.93 136.07 37.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 0.0 110.339 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 1.102 HG11 ' CE2' ' A' ' 27' ' ' TYR . 2.1 t -103.81 130.26 54.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.992 HG22 ' H ' ' A' ' 57' ' ' GLN . 7.9 mt -92.45 -138.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.992 ' H ' HG22 ' A' ' 56' ' ' ILE . 0.4 OUTLIER -95.47 156.56 16.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 110.278 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.659 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 3.4 p -67.55 123.26 19.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.438 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.463 ' HB ' ' CG ' ' A' ' 63' ' ' LYS . 1.1 m -54.81 -75.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.423 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.447 ' N ' HG22 ' A' ' 59' ' ' THR . 4.6 t0 -105.24 -91.33 0.39 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.414 ' N ' ' CG ' ' A' ' 60' ' ' ASP . 49.1 m-20 -117.37 -57.19 2.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.483 HG22 ' CB ' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -117.67 69.16 0.77 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.406 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.659 ' O ' ' HA ' ' A' ' 58' ' ' THR . 2.8 tppt? -156.32 129.48 8.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.666 HG22 HD22 ' A' ' 81' ' ' LEU . 3.2 m -120.96 126.19 74.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.839 ' CD2' HD12 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -89.53 121.69 31.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.77 ' HB3' HD23 ' A' ' 53' ' ' LEU . 31.0 m -92.08 157.03 16.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 108.324 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.792 ' O ' HD11 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -135.79 142.24 44.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.105 . . . . 0.0 110.32 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.482 ' ND2' ' O ' ' A' ' 72' ' ' LYS . 0.3 OUTLIER -120.95 143.69 48.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.78 -14.28 1.35 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 110.32 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.405 ' N ' ' C ' ' A' ' 68' ' ' ASN . 3.2 tp10 -59.6 -11.51 4.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 85.37 17.75 61.83 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.451 1.095 . . . . 0.0 111.028 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.52 ' HD3' HD11 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -124.54 150.34 45.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 0.754 . . . . 0.0 109.311 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.768 ' CE2' HD13 ' A' ' 23' ' ' ILE . 5.4 m-85 -115.97 164.88 13.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.901 ' HA3' HD13 ' A' ' 45' ' ' LEU . . . -157.16 159.24 29.53 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.551 1.157 . . . . 0.0 111.017 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.879 ' CE2' ' CE2' ' A' ' 17' ' ' PHE . 5.3 m-85 -104.95 151.7 23.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 0.762 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.744 HG21 ' SG ' ' A' ' 66' ' ' CYS . 2.1 t -138.15 124.76 26.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.442 HD23 ' HA ' ' A' ' 77' ' ' LEU . 0.1 OUTLIER -76.83 142.07 40.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.317 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.483 ' CB ' HG22 ' A' ' 62' ' ' THR . 0.0 OUTLIER -57.35 -22.86 45.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.338 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.429 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 9.3 t -50.63 -59.06 4.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.004 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.753 ' CE1' ' CG2' ' A' ' 36' ' ' THR . 19.5 p90 -117.42 84.33 2.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 111.002 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.897 HD12 ' H ' ' A' ' 82' ' ' ALA . 0.1 OUTLIER -165.7 174.0 10.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.897 ' H ' HD12 ' A' ' 81' ' ' LEU . . . -80.4 173.66 12.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 -179.975 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.844 ' CE2' ' CD2' ' A' ' 17' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.458 0.17 . . . . 0.0 110.986 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.559 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 24.5 ttt180 -59.84 -28.93 67.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.324 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.48 -59.18 5.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 109.331 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.16 -30.81 25.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 1.189 ' O ' ' N ' ' A' ' 19' ' ' TYR . 10.1 m-85 -87.28 29.79 0.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 111.022 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -35.2 7.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.346 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 1.189 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -64.34 121.96 15.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 111.012 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -100.42 98.18 8.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.696 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.8 -170.1 16.21 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.534 1.146 . . . . 0.0 111.045 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -102.72 92.25 4.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 0.758 . . . . 0.0 110.284 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.873 HD13 ' CE2' ' A' ' 73' ' ' TYR . 0.2 OUTLIER -67.52 109.22 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? -153.38 115.28 4.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.293 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.958 HG11 ' HG2' ' A' ' 54' ' ' GLU . 66.2 t -67.27 100.26 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -92.68 -47.33 7.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.355 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 1.076 ' CE2' HG11 ' A' ' 55' ' ' VAL . 36.9 p90 -125.89 89.56 3.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 111.011 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.716 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 15.4 p -72.93 110.27 7.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.014 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' THR . . . . . 1.006 HG21 HD21 ' A' ' 81' ' ' LEU . 1.5 t -87.74 158.46 18.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 110.403 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.831 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 0.1 OUTLIER -105.41 137.23 43.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.266 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.685 ' CG1' HD12 ' A' ' 35' ' ' ILE . 1.7 t -72.63 142.09 15.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.675 HG23 ' H ' ' A' ' 34' ' ' SER . 10.5 t -94.36 -179.7 5.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.397 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.482 ' HA ' ' HB2' ' A' ' 49' ' ' PRO . 14.0 t -80.82 -23.75 38.96 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 110.408 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.675 ' H ' HG23 ' A' ' 32' ' ' THR . 24.1 t -91.17 13.6 16.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.996 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.685 HD12 ' CG1' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -70.54 171.97 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.893 HG23 ' CZ3' ' A' ' 40' ' ' TRP . 5.8 t -69.25 116.87 10.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 110.408 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.473 ' HB3' ' HD3' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -118.11 -27.49 6.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.019 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.427 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 0.8 OUTLIER -103.21 -47.25 4.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.534 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -68.13 123.43 20.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.893 ' CZ3' HG23 ' A' ' 36' ' ' THR . 8.3 m95 -143.48 132.26 22.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 108.016 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.426 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -117.82 158.37 14.68 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.485 1.115 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.4 m -56.23 -37.18 69.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 0.744 . . . . 0.0 110.407 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.641 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 7.4 mtm180 -96.75 7.25 47.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.333 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.426 ' CB ' ' H ' ' A' ' 41' ' ' GLY . 0.1 OUTLIER -103.69 162.96 12.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.143 . . . . 0.0 109.281 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.988 HD23 ' CG1' ' A' ' 47' ' ' VAL . 4.7 tp -96.96 149.03 22.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.495 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 0.2 OUTLIER -88.98 33.6 0.79 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.286 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.988 ' CG1' HD23 ' A' ' 45' ' ' LEU . 22.3 m -62.95 159.69 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.1 157.97 35.6 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.598 ' CA ' HG22 ' A' ' 35' ' ' ILE . 18.2 Cg_endo -74.96 125.91 9.65 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.487 1.782 . . . . 0.0 111.025 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 32' ' ' THR . . . 100.5 11.99 39.71 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.516 1.135 . . . . 0.0 110.972 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.522 ' O ' ' N ' ' A' ' 31' ' ' VAL . 0.3 OUTLIER -101.25 172.69 6.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 0.766 . . . . 0.0 110.243 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.38 129.94 43.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 110.019 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.811 HD11 ' O ' ' A' ' 67' ' ' ARG . 45.3 tp -139.94 165.49 27.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.251 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.958 ' HG2' HG11 ' A' ' 25' ' ' VAL . 3.9 mt-10 -78.2 134.32 37.63 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 1.076 HG11 ' CE2' ' A' ' 27' ' ' TYR . 2.2 t -103.82 131.1 53.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.147 . . . . 0.0 109.303 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.98 HG22 ' H ' ' A' ' 57' ' ' GLN . 4.1 mt -93.15 -137.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.98 ' H ' HG22 ' A' ' 56' ' ' ILE . 29.7 mm100 -94.78 156.91 16.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.362 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.678 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 5.8 p -67.61 123.23 19.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.378 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.539 ' HB ' ' HB3' ' A' ' 63' ' ' LYS . 1.2 m -55.34 -74.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 110.401 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.443 ' CG ' ' N ' ' A' ' 61' ' ' ASP . 4.1 t70 -104.71 -91.72 0.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.443 ' N ' ' CG ' ' A' ' 60' ' ' ASP . 1.8 m-20 -117.49 -57.36 2.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.437 ' O ' ' HB3' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -117.68 69.56 0.78 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.398 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.678 ' O ' ' HA ' ' A' ' 58' ' ' THR . 5.5 tttt -157.13 129.21 7.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.463 ' CG2' ' HG ' ' A' ' 81' ' ' LEU . 5.3 m -119.87 126.81 75.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.875 HD12 ' O ' ' A' ' 74' ' ' GLY . 0.2 OUTLIER -88.61 121.86 31.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.783 ' SG ' HG21 ' A' ' 76' ' ' VAL . 32.8 m -91.37 157.21 17.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 108.323 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.811 ' O ' HD11 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -134.52 142.94 47.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 110.289 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -120.47 139.83 52.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.53 -13.55 1.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -59.41 -10.24 3.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.303 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 87.36 15.67 61.8 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.541 1.151 . . . . 0.0 111.034 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.74 155.53 39.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 0.758 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.873 ' CE2' HD13 ' A' ' 23' ' ' ILE . 6.9 m-85 -118.75 167.21 11.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.975 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.875 ' O ' HD12 ' A' ' 65' ' ' LEU . . . -158.17 157.8 28.62 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.541 1.151 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.899 ' CZ ' ' CE2' ' A' ' 17' ' ' PHE . 2.4 m-85 -104.96 151.79 23.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 0.764 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.783 HG21 ' SG ' ' A' ' 66' ' ' CYS . 2.2 t -139.07 125.65 24.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.164 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.498 HD23 ' H ' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -76.29 144.33 40.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.341 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.498 ' H ' HD23 ' A' ' 77' ' ' LEU . 0.1 OUTLIER -56.15 -22.53 29.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 110.324 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.54 -59.09 4.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.983 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.754 ' CE1' HG21 ' A' ' 36' ' ' THR . 9.8 p90 -117.42 81.06 1.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 111.033 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 1.068 HD13 ' O ' ' A' ' 82' ' ' ALA . 0.7 OUTLIER -163.66 144.68 8.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 1.068 ' O ' HD13 ' A' ' 81' ' ' LEU . . . -54.58 174.23 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -180.0 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.848 ' CE2' ' CD2' ' A' ' 17' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.506 0.194 . . . . 0.0 110.996 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.533 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 0.9 OUTLIER -59.97 -29.89 68.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.487 ' CE ' ' HB2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -54.51 -58.01 9.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.487 ' HB2' ' CE ' ' A' ' 15' ' ' LYS . 5.3 tptt -84.42 -31.87 24.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 1.218 ' O ' ' N ' ' A' ' 19' ' ' TYR . 10.1 m-85 -87.42 30.1 0.82 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.972 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -34.54 6.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 1.218 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -65.21 122.29 16.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.994 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -100.9 97.97 8.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.253 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.683 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.62 -169.67 15.66 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.511 1.132 . . . . 0.0 111.026 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -102.88 92.57 4.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 0.743 . . . . 0.0 110.322 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.949 HG12 HD13 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -67.08 108.47 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -154.78 118.48 4.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.336 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 1.126 HG21 ' CG ' ' A' ' 54' ' ' GLU . 6.6 p -65.62 98.86 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.3 -47.65 7.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 1.016 ' CE2' HG11 ' A' ' 55' ' ' VAL . 39.2 p90 -126.26 88.97 2.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 111.029 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.66 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 54.6 p -73.52 110.35 7.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.026 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' THR . . . . . 1.101 HG21 HD21 ' A' ' 81' ' ' LEU . 1.6 t -89.35 158.64 17.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.382 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.732 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 1.0 OUTLIER -103.15 137.47 41.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.695 ' CG1' HD12 ' A' ' 35' ' ' ILE . 1.7 t -72.96 146.33 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.15 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 50' ' ' GLY . 9.7 t -95.22 179.22 5.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 110.427 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.462 ' HA ' ' HB2' ' A' ' 49' ' ' PRO . 1.2 t -80.67 -25.26 38.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 110.426 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.2 t -91.47 14.34 15.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.976 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.695 HD12 ' CG1' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -70.08 171.98 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.897 HG23 ' CZ3' ' A' ' 40' ' ' TRP . 5.2 t -69.27 117.52 11.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.435 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.44 ' HB3' ' HG3' ' A' ' 49' ' ' PRO . 0.1 OUTLIER -119.02 -27.92 5.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.992 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.424 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 2.4 ptpp? -102.68 -47.56 4.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.58 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -67.79 123.29 20.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.897 ' CZ3' HG23 ' A' ' 36' ' ' THR . 6.9 m95 -143.53 129.71 19.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 107.99 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.458 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -118.86 159.29 14.49 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.518 1.136 . . . . 0.0 110.965 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.2 t -56.38 -36.2 68.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 0.783 . . . . 0.0 110.437 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.643 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 8.6 mtm105 -97.06 7.51 46.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 110.305 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.458 ' CB ' ' H ' ' A' ' 41' ' ' GLY . 0.4 OUTLIER -104.02 163.15 12.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.921 HD23 ' CG1' ' A' ' 47' ' ' VAL . 6.6 tp -97.12 148.71 22.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.567 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 4.7 tt0 -88.21 31.38 0.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.313 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.921 ' CG1' HD23 ' A' ' 45' ' ' LEU . 34.2 m -64.27 160.29 3.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -111.79 158.55 36.31 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.269 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.626 ' CA ' HG22 ' A' ' 35' ' ' ILE . 18.4 Cg_endo -74.95 123.94 8.28 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.545 1.813 . . . . 0.0 111.024 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 32' ' ' THR . . . 100.79 14.6 31.3 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.477 1.111 . . . . 0.0 111.006 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.603 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.9 OUTLIER -105.64 171.14 7.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 0.753 . . . . 0.0 110.265 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.4 p -131.99 129.44 40.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.024 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 1.008 HD21 ' CB ' ' A' ' 66' ' ' CYS . 0.0 OUTLIER -140.99 170.05 16.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 1.126 ' CG ' HG21 ' A' ' 25' ' ' VAL . 0.7 OUTLIER -77.61 134.82 38.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.325 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 1.016 HG11 ' CE2' ' A' ' 27' ' ' TYR . 2.1 t -106.27 134.4 47.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.994 HG22 ' H ' ' A' ' 57' ' ' GLN . 6.9 mt -92.72 -140.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.994 ' H ' HG22 ' A' ' 56' ' ' ILE . 15.4 mm100 -96.98 158.2 15.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.142 . . . . 0.0 110.286 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.631 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 7.9 p -67.91 128.85 38.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.408 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.472 ' OG1' ' CE1' ' A' ' 75' ' ' TYR . 1.2 m -61.21 -75.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.407 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.427 ' CG ' ' N ' ' A' ' 61' ' ' ASP . 4.7 t0 -105.42 -92.64 0.37 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.427 ' N ' ' CG ' ' A' ' 60' ' ' ASP . 0.9 OUTLIER -117.64 -56.58 2.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.835 HG22 ' CB ' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -115.38 67.76 0.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 110.436 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.631 ' O ' ' HA ' ' A' ' 58' ' ' THR . 0.0 OUTLIER -157.9 130.15 7.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.33 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.518 ' CG2' ' HG ' ' A' ' 81' ' ' LEU . 17.2 m -124.2 124.75 69.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.772 HD12 ' O ' ' A' ' 74' ' ' GLY . 0.1 OUTLIER -90.11 121.22 31.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.332 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 1.008 ' CB ' HD21 ' A' ' 53' ' ' LEU . 4.9 m -98.93 160.94 13.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 108.303 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.711 ' HG3' ' CD2' ' A' ' 73' ' ' TYR . 0.9 OUTLIER -134.62 144.44 47.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 72' ' ' LYS . 0.2 OUTLIER -119.44 143.46 47.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.33 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.15 -14.5 1.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 110.258 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.41 ' N ' ' C ' ' A' ' 68' ' ' ASN . 2.4 tp10 -59.47 -11.97 5.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.253 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.55 21.04 58.94 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.455 1.097 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.457 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 0.0 OUTLIER -124.59 148.9 47.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 0.736 . . . . 0.0 109.311 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.81 ' CE2' HD13 ' A' ' 23' ' ' ILE . 27.7 m-85 -115.32 156.87 24.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.981 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.772 ' O ' HD12 ' A' ' 65' ' ' LEU . . . -157.45 160.05 30.26 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.48 1.113 . . . . 0.0 111.019 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.902 ' CZ ' ' CE2' ' A' ' 17' ' ' PHE . 8.4 m-85 -102.95 153.13 20.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 0.771 . . . . 0.0 110.977 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.783 HG21 ' SG ' ' A' ' 66' ' ' CYS . 1.8 t -133.93 124.12 46.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.412 HD23 ' H ' ' A' ' 78' ' ' ARG . 0.1 OUTLIER -74.1 141.87 45.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.835 ' CB ' HG22 ' A' ' 62' ' ' THR . 0.0 OUTLIER -56.55 -22.05 30.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 0.0 110.28 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.4 ' HA ' ' NH2' ' A' ' 78' ' ' ARG . 15.6 t -49.91 -59.44 3.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 110.028 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.721 ' CE1' HG21 ' A' ' 36' ' ' THR . 9.0 p90 -117.38 80.58 1.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 110.982 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 1.101 HD21 HG21 ' A' ' 29' ' ' THR . 0.5 OUTLIER -164.52 141.77 6.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 1.087 ' N ' HD22 ' A' ' 81' ' ' LEU . . . -55.08 174.53 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.997 ' CE1' ' CD2' ' A' ' 17' ' ' PHE . 18.5 t80 . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.541 0.21 . . . . 0.0 111.042 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.45 ' HG2' ' N ' ' A' ' 15' ' ' LYS . 2.4 ptm180 -59.29 -30.82 68.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.347 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.45 ' N ' ' HG2' ' A' ' 14' ' ' ARG . 0.2 OUTLIER -54.11 -58.2 8.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.472 ' CG ' ' HD3' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -84.47 -33.76 23.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 1.184 ' O ' ' N ' ' A' ' 19' ' ' TYR . 15.1 m-85 -87.85 27.37 1.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -35.52 7.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 1.184 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -64.24 121.22 13.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 111.014 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -100.31 97.89 8.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.69 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -147.92 -170.32 15.85 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.528 1.142 . . . . 0.0 111.03 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -99.79 92.41 5.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 0.758 . . . . 0.0 110.277 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.927 HD13 ' CE2' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -68.85 107.98 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.308 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.19 121.51 5.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.345 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 1.072 HG21 ' CG ' ' A' ' 54' ' ' GLU . 6.0 p -67.26 100.79 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.35 -49.95 6.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 1.079 ' CE2' HG11 ' A' ' 55' ' ' VAL . 34.6 p90 -127.44 88.31 2.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.699 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 59.4 p -73.7 110.92 8.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.987 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.744 ' OG1' ' HB3' ' A' ' 82' ' ' ALA . 1.8 t -88.15 161.49 17.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 110.427 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.536 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 0.5 OUTLIER -101.32 137.4 39.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 51' ' ' GLU . 1.9 t -73.12 134.04 30.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.857 HG22 ' H ' ' A' ' 34' ' ' SER . 1.3 m -84.53 135.24 34.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.108 . . . . 0.0 110.378 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.546 ' O ' ' HB2' ' A' ' 49' ' ' PRO . 12.8 t -47.39 -11.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.098 . . . . 0.0 110.364 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.857 ' H ' HG22 ' A' ' 32' ' ' THR . 1.1 p -103.51 15.77 28.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.972 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.766 HG22 ' CA ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -69.88 175.47 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.303 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.899 HG23 ' CZ3' ' A' ' 40' ' ' TRP . 4.2 t -69.28 118.99 12.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.368 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.419 ' HB3' ' CD ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -117.91 -26.57 6.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.02 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.438 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 2.0 ptmm? -103.91 -47.84 4.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.547 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -67.71 123.9 21.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.899 ' CZ3' HG23 ' A' ' 36' ' ' THR . 7.2 m95 -144.23 129.37 18.65 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.462 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -117.55 158.94 14.34 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.512 1.132 . . . . 0.0 110.983 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.2 m -56.07 -35.62 67.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 0.778 . . . . 0.0 110.388 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.712 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 29.0 mtm180 -95.68 5.36 51.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 110.273 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.462 ' CB ' ' H ' ' A' ' 41' ' ' GLY . 0.4 OUTLIER -103.58 161.83 13.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.856 HD23 ' CG1' ' A' ' 47' ' ' VAL . 7.3 tp -97.63 152.35 19.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.262 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.581 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 6.7 tt0 -87.6 31.53 0.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.308 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.856 ' CG1' HD23 ' A' ' 45' ' ' LEU . 35.0 m -63.91 159.8 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.02 155.41 41.74 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.766 ' CA ' HG22 ' A' ' 35' ' ' ILE . 18.2 Cg_endo -75.01 128.96 11.89 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.519 1.799 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 98.22 11.06 50.07 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.501 1.125 . . . . 0.0 110.978 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.725 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.5 OUTLIER -103.58 172.48 6.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 0.763 . . . . 0.0 110.327 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.44 ' HB3' ' CG ' ' A' ' 30' ' ' LYS . 0.9 OUTLIER -124.88 129.59 50.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.983 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.795 HD11 ' O ' ' A' ' 67' ' ' ARG . 31.2 tp -139.36 164.51 29.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.082 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 1.072 ' CG ' HG21 ' A' ' 25' ' ' VAL . 0.7 OUTLIER -78.39 132.0 37.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.315 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 1.079 HG11 ' CE2' ' A' ' 27' ' ' TYR . 2.3 t -102.69 129.09 54.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.98 HG22 ' H ' ' A' ' 57' ' ' GLN . 4.3 mt -92.33 -138.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.98 ' H ' HG22 ' A' ' 56' ' ' ILE . 19.7 mm-40 -94.36 157.24 16.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.27 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.736 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 8.3 p -67.67 123.75 21.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 110.423 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.553 ' OG1' ' CE1' ' A' ' 75' ' ' TYR . 1.3 m -54.96 -74.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.375 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -104.58 -91.17 0.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -117.27 -57.57 2.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.556 HG21 ' CD ' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -117.53 69.13 0.76 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 110.359 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.736 ' O ' ' HA ' ' A' ' 58' ' ' THR . 0.1 OUTLIER -157.35 129.76 7.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.905 HG22 HD13 ' A' ' 81' ' ' LEU . 3.6 m -120.57 128.26 76.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.885 HD21 HD12 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -87.48 124.52 33.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.368 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.725 ' SG ' HG21 ' A' ' 76' ' ' VAL . 14.0 m -89.56 158.49 17.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 108.309 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.795 ' O ' HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -134.43 146.94 50.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.267 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.618 ' OD1' HD21 ' A' ' 45' ' ' LEU . 6.4 m120 -113.17 139.89 48.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -53.93 -18.65 3.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 110.329 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -79.46 -4.54 51.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 88.51 17.78 56.31 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.549 1.156 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.437 ' HE3' HD11 ' A' ' 45' ' ' LEU . 14.7 ttpt -96.4 124.69 40.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.765 . . . . 0.0 109.272 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.927 ' CE2' HD13 ' A' ' 23' ' ' ILE . 12.4 m-85 -111.89 151.6 28.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 111.008 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.542 ' HA3' HD13 ' A' ' 45' ' ' LEU . . . -159.37 161.76 32.35 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.529 1.143 . . . . 0.0 110.973 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.921 ' CZ ' ' CE2' ' A' ' 17' ' ' PHE . 10.1 m-85 -101.26 154.19 18.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.76 . . . . 0.0 111.006 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.725 HG21 ' SG ' ' A' ' 66' ' ' CYS . 4.0 t -143.11 126.42 13.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.417 HD23 ' H ' ' A' ' 78' ' ' ARG . 0.1 OUTLIER -72.84 142.03 47.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.335 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.556 ' CD ' HG21 ' A' ' 62' ' ' THR . 0.0 OUTLIER -57.31 -19.42 22.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.331 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.433 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 21.8 t -47.03 -58.24 4.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.104 . . . . 0.0 110.031 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.662 ' CE1' HG21 ' A' ' 36' ' ' THR . 7.5 p90 -116.56 84.22 2.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 111.009 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.905 HD13 HG22 ' A' ' 64' ' ' VAL . 0.3 OUTLIER -162.98 176.58 9.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.769 ' H ' HD23 ' A' ' 81' ' ' LEU . . . -89.87 173.97 7.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.982 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.846 ' CE2' ' CD2' ' A' ' 17' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.516 0.198 . . . . 0.0 111.006 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.565 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 7.9 ttt180 -58.27 -36.99 74.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.315 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.426 ' HD3' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -51.78 -57.41 9.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.317 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.426 ' N ' ' HD3' ' A' ' 15' ' ' LYS . 1.2 tptp -82.37 -35.48 27.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 1.19 ' O ' ' N ' ' A' ' 19' ' ' TYR . 9.2 m-85 -87.41 30.59 0.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -35.57 8.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.256 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 1.19 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -63.26 122.01 15.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -100.31 98.16 8.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.258 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.698 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.31 -169.82 15.63 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.496 1.122 . . . . 0.0 110.976 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -102.26 92.26 4.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 0.781 . . . . 0.0 110.315 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.937 HD13 ' CE2' ' A' ' 73' ' ' TYR . 0.4 OUTLIER -69.98 109.14 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.352 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.14 131.67 12.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.314 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.496 ' HB ' ' CD ' ' A' ' 54' ' ' GLU . 7.6 p -74.16 98.12 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.65 -49.2 6.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 1.118 ' CE2' HG11 ' A' ' 55' ' ' VAL . 27.7 p90 -130.64 87.96 2.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 0.0 111.054 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.591 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 38.6 p -71.2 110.99 6.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.97 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.736 HG22 ' CG2' ' A' ' 55' ' ' VAL . 1.2 t -92.13 161.18 14.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.394 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.798 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -101.1 138.74 37.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.165 . . . . 0.0 109.319 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 51' ' ' GLU . 2.1 t -70.52 120.3 18.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.822 HG22 ' H ' ' A' ' 34' ' ' SER . 1.2 m -75.53 133.34 41.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.43 1.081 . . . . 0.0 110.351 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.581 ' O ' ' HB2' ' A' ' 49' ' ' PRO . 14.2 t -43.07 -20.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 110.428 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.822 ' H ' HG22 ' A' ' 32' ' ' THR . 0.2 OUTLIER -89.69 13.77 13.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.984 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.693 HG12 ' O ' ' A' ' 80' ' ' TYR . 0.0 OUTLIER -71.32 173.55 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.102 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.901 HG23 ' CZ3' ' A' ' 40' ' ' TRP . 2.4 t -70.77 120.25 16.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.404 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.68 -27.62 5.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 110.021 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.434 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -104.42 -47.81 4.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.259 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.568 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -67.35 124.97 24.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.901 ' CZ3' HG23 ' A' ' 36' ' ' THR . 6.5 m95 -144.58 129.61 18.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 108.026 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.457 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -118.6 159.68 14.28 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.502 1.126 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.4 t -56.81 -35.81 69.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 0.745 . . . . 0.0 110.349 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.666 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 9.2 mtm180 -96.49 6.83 47.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.457 ' CB ' ' H ' ' A' ' 41' ' ' GLY . 0.4 OUTLIER -103.81 162.74 12.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.34 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.9 HD13 ' HA3' ' A' ' 74' ' ' GLY . 6.1 tp -97.7 151.27 20.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.603 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 5.5 tt0 -88.07 31.24 0.8 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.764 ' O ' ' CH2' ' A' ' 40' ' ' TRP . 19.3 m -64.19 159.97 3.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -111.87 155.61 42.97 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 109.357 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.659 ' CA ' HG22 ' A' ' 35' ' ' ILE . 18.3 Cg_endo -75.0 130.19 13.04 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.463 1.77 . . . . 0.0 110.984 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.06 11.78 44.85 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.641 ' O ' HG23 ' A' ' 31' ' ' VAL . 1.2 mt-10 -105.06 172.15 6.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 0.751 . . . . 0.0 110.283 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.1 t -125.4 130.3 51.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 110.033 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.765 HD23 ' HB3' ' A' ' 66' ' ' CYS . 28.9 tp -139.47 166.71 23.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.598 ' O ' ' HA ' ' A' ' 66' ' ' CYS . 0.9 OUTLIER -78.2 132.47 37.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.278 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 1.118 HG11 ' CE2' ' A' ' 27' ' ' TYR . 2.2 t -102.68 126.58 56.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.977 HG22 ' H ' ' A' ' 57' ' ' GLN . 4.6 mt -91.4 -138.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.977 ' H ' HG22 ' A' ' 56' ' ' ILE . 29.1 mm100 -94.87 156.85 16.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.291 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.702 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 6.5 p -67.82 122.8 18.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.385 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.529 ' HB ' ' HB3' ' A' ' 63' ' ' LYS . 1.1 m -54.53 -74.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.434 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.453 ' N ' HG22 ' A' ' 59' ' ' THR . 1.0 OUTLIER -104.76 -91.45 0.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.095 . . . . 0.0 109.29 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -118.09 -56.82 2.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.598 HG22 ' CB ' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -117.92 69.82 0.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.404 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.702 ' O ' ' HA ' ' A' ' 58' ' ' THR . 4.0 tttt -157.34 130.49 7.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.682 HG22 HD22 ' A' ' 81' ' ' LEU . 3.9 m -121.09 127.77 75.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.914 HD12 ' O ' ' A' ' 74' ' ' GLY . 0.7 OUTLIER -88.79 122.44 32.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.343 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.765 ' HB3' HD23 ' A' ' 53' ' ' LEU . 30.4 m -91.79 156.69 17.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 108.269 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.765 ' O ' HD11 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -134.98 142.44 46.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.292 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.597 HD21 HD21 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -120.7 141.72 50.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.339 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -56.43 -13.11 2.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.336 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -60.57 -9.52 3.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.281 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.4 14.02 66.92 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.499 1.125 . . . . 0.0 111.028 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.1 ttpm? -122.46 156.62 33.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 0.778 . . . . 0.0 109.322 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.937 ' CE2' HD13 ' A' ' 23' ' ' ILE . 7.0 m-85 -119.82 167.64 11.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 110.99 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.914 ' O ' HD12 ' A' ' 65' ' ' LEU . . . -157.34 158.61 29.08 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.501 1.126 . . . . 0.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.887 ' CZ ' ' CE2' ' A' ' 17' ' ' PHE . 2.0 m-85 -105.44 153.78 21.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 0.776 . . . . 0.0 110.956 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.761 HG21 ' SG ' ' A' ' 66' ' ' CYS . 2.3 t -142.52 125.92 14.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.475 HD23 ' H ' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -79.55 144.16 34.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.293 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.598 ' CB ' HG22 ' A' ' 62' ' ' THR . 0.0 OUTLIER -57.51 -21.98 41.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 110.266 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.447 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 14.6 t -50.44 -59.29 4.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 110.011 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.749 ' CE1' ' CG2' ' A' ' 36' ' ' THR . 21.2 p90 -117.42 83.99 2.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.967 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.878 HD12 ' H ' ' A' ' 82' ' ' ALA . 0.1 OUTLIER -166.42 173.3 10.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.576 1.173 . . . . 0.0 109.285 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.878 ' H ' HD12 ' A' ' 81' ' ' LEU . . . -76.42 174.11 10.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.934 ' CE2' ' CD2' ' A' ' 17' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.491 0.186 . . . . 0.0 111.047 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.491 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 0.8 OUTLIER -59.27 -29.76 67.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.338 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.33 -60.23 3.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.491 ' HG2' ' CD ' ' A' ' 43' ' ' ARG . 19.9 tptt -82.73 -33.7 27.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.26 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 1.213 ' O ' ' N ' ' A' ' 19' ' ' TYR . 12.3 m-85 -88.98 27.98 1.26 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -34.96 6.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.348 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 1.213 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -64.75 122.76 17.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.975 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -101.64 97.97 8.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.147 . . . . 0.0 109.295 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.693 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.83 -170.02 16.15 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.43 1.081 . . . . 0.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -100.82 92.81 5.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 0.801 . . . . 0.0 110.335 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.853 HG12 HD13 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -65.72 107.32 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.433 ' O ' ' HG3' ' A' ' 24' ' ' ARG . 16.6 ptm180 -154.43 125.63 7.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.322 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 1.116 HG21 ' CG ' ' A' ' 54' ' ' GLU . 4.2 p -73.1 99.03 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.13 -47.89 7.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 1.093 ' CE2' HG11 ' A' ' 55' ' ' VAL . 33.2 p90 -126.79 87.52 2.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.678 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 86.0 p -71.91 111.26 7.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 110.032 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' THR . . . . . 1.033 HG21 HD21 ' A' ' 81' ' ' LEU . 1.8 t -89.47 158.39 17.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 110.359 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.868 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 0.4 OUTLIER -103.67 137.01 42.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.329 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.682 ' CG1' HD12 ' A' ' 35' ' ' ILE . 1.8 t -73.64 145.48 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.869 HG23 ' H ' ' A' ' 34' ' ' SER . 2.4 t -94.82 178.55 5.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 110.419 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.472 ' HA ' ' HB2' ' A' ' 49' ' ' PRO . 6.8 t -80.26 -24.55 40.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.386 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.869 ' H ' HG23 ' A' ' 32' ' ' THR . 20.6 t -91.75 14.48 15.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.046 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.682 HD12 ' CG1' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -70.23 172.21 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.895 HG23 ' CZ3' ' A' ' 40' ' ' TRP . 5.0 t -69.2 117.41 10.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.431 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.407 ' HB3' ' HD3' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -118.13 -28.33 5.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.977 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.424 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 13.6 pttp -103.53 -47.26 4.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.243 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.549 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -67.57 123.63 20.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.895 ' CZ3' HG23 ' A' ' 36' ' ' THR . 7.6 m95 -143.81 130.29 20.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 108.005 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.473 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -118.25 159.69 14.18 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.534 1.146 . . . . 0.0 110.987 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -56.51 -35.7 68.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 0.784 . . . . 0.0 110.385 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.639 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 6.0 mtm180 -96.79 7.23 47.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.473 ' CB ' ' H ' ' A' ' 41' ' ' GLY . 0.5 OUTLIER -104.43 162.06 13.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.852 HD23 ' CG1' ' A' ' 47' ' ' VAL . 4.2 tp -97.08 152.38 18.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.568 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 5.5 tt0 -88.74 31.59 0.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 110.352 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.852 ' CG1' HD23 ' A' ' 45' ' ' LEU . 27.1 m -64.0 161.3 2.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.69 158.26 39.35 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.638 ' CA ' HG22 ' A' ' 35' ' ' ILE . 18.3 Cg_endo -75.0 125.03 9.06 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.501 1.79 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 32' ' ' THR . . . 100.42 13.01 36.84 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.552 1.158 . . . . 0.0 110.997 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.594 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -104.65 171.96 7.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 0.778 . . . . 0.0 110.339 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.22 129.74 43.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.013 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.779 HD23 ' HB3' ' A' ' 66' ' ' CYS . 62.0 tp -139.97 166.07 25.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.352 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 1.116 ' CG ' HG21 ' A' ' 25' ' ' VAL . 0.8 OUTLIER -77.4 133.13 38.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 1.093 HG11 ' CE2' ' A' ' 27' ' ' TYR . 2.1 t -102.94 130.62 52.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.967 HG22 ' H ' ' A' ' 57' ' ' GLN . 5.3 mt -92.26 -137.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.967 ' H ' HG22 ' A' ' 56' ' ' ILE . 20.0 mm100 -94.61 157.01 16.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.362 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.67 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 3.1 p -67.41 122.92 19.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 110.432 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.629 ' OG1' ' CE1' ' A' ' 75' ' ' TYR . 1.4 m -54.78 -74.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.428 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.417 ' CG ' ' N ' ' A' ' 61' ' ' ASP . 5.8 t70 -104.9 -91.68 0.38 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.417 ' N ' ' CG ' ' A' ' 60' ' ' ASP . 42.2 m-20 -118.08 -56.77 2.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.657 HG22 ' CB ' ' A' ' 78' ' ' ARG . 0.6 OUTLIER -117.53 69.52 0.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.405 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.67 ' O ' ' HA ' ' A' ' 58' ' ' THR . 0.6 OUTLIER -158.23 129.78 6.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.269 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.537 HG22 ' HG ' ' A' ' 81' ' ' LEU . 3.8 m -120.82 126.84 75.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.847 HD21 HD12 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -88.72 121.72 31.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.864 ' SG ' HG21 ' A' ' 76' ' ' VAL . 35.6 m -93.71 155.39 17.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 108.263 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.779 ' O ' HD11 ' A' ' 53' ' ' LEU . 0.7 OUTLIER -136.27 143.25 44.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 110.334 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.405 ' C ' ' N ' ' A' ' 70' ' ' GLU . 0.4 OUTLIER -120.22 145.95 46.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.94 -15.46 1.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 110.317 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.405 ' N ' ' C ' ' A' ' 68' ' ' ASN . 7.5 tp10 -59.48 -11.55 4.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 110.331 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 82.0 26.82 47.72 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.408 ' NZ ' ' HB3' ' A' ' 72' ' ' LYS . 2.1 ttpm? -124.08 146.47 48.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 0.753 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.725 ' CD2' ' HG3' ' A' ' 67' ' ' ARG . 35.8 m-85 -119.06 153.8 34.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.967 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.801 ' O ' HD12 ' A' ' 65' ' ' LEU . . . -158.2 161.6 31.72 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.889 ' CZ ' ' CE2' ' A' ' 17' ' ' PHE . 11.9 m-85 -102.96 153.64 20.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 0.752 . . . . 0.0 110.993 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.864 HG21 ' SG ' ' A' ' 66' ' ' CYS . 2.2 t -133.32 126.38 52.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.424 HD23 ' H ' ' A' ' 78' ' ' ARG . 0.1 OUTLIER -75.8 142.74 42.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.337 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.657 ' CB ' HG22 ' A' ' 62' ' ' THR . 0.0 OUTLIER -57.24 -22.89 44.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.27 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 17.6 t -48.94 -59.06 3.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.988 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.69 ' CE1' HG21 ' A' ' 36' ' ' THR . 6.4 p90 -117.9 80.3 1.49 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 111.013 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 1.059 HD13 ' O ' ' A' ' 82' ' ' ALA . 0.8 OUTLIER -163.23 143.74 9.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 109.344 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 1.059 ' O ' HD13 ' A' ' 81' ' ' LEU . . . -55.45 174.8 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.944 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.858 ' CE2' ' CD2' ' A' ' 17' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.481 0.182 . . . . 0.0 110.994 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.52 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 13.7 ttt180 -59.63 -28.47 67.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.425 ' CE ' ' HB2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -54.78 -59.07 5.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.265 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.425 ' HB2' ' CE ' ' A' ' 15' ' ' LYS . 1.3 tptt -84.61 -31.16 24.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 1.201 ' O ' ' N ' ' A' ' 19' ' ' TYR . 13.5 m-85 -86.93 29.56 0.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.981 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -34.87 7.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 1.201 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -65.3 121.87 15.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.972 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -100.12 98.09 8.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.698 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.68 -169.89 15.93 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.548 1.155 . . . . 0.0 111.021 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -103.19 92.37 4.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 0.788 . . . . 0.0 110.287 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.865 HG12 HD13 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -66.97 108.4 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.66 115.58 3.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.341 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.93 HG11 ' HG2' ' A' ' 54' ' ' GLU . 65.2 t -66.33 99.88 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.336 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.85 -47.31 7.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 1.06 ' CE2' HG11 ' A' ' 55' ' ' VAL . 38.4 p90 -125.84 89.79 3.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.987 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.703 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 14.4 t -74.38 110.52 8.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.011 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.884 HG21 HD21 ' A' ' 81' ' ' LEU . 1.4 t -90.49 159.95 16.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.398 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.774 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 4.3 mtmp? -103.15 137.76 40.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.664 ' CG1' HD12 ' A' ' 35' ' ' ILE . 1.8 t -71.09 144.32 13.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.634 HG23 ' H ' ' A' ' 34' ' ' SER . 8.0 t -94.14 179.33 5.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.449 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.452 ' HA ' ' HB2' ' A' ' 49' ' ' PRO . 5.8 t -80.53 -25.29 38.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 110.418 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.634 ' H ' HG23 ' A' ' 32' ' ' THR . 19.2 t -90.18 14.02 13.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.043 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.664 HD12 ' CG1' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -70.35 171.7 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.284 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.883 HG23 ' CZ3' ' A' ' 40' ' ' TRP . 4.3 t -69.12 117.59 10.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 110.429 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.402 ' HB2' ' HD3' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -118.85 -27.88 5.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 109.993 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.428 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 0.2 OUTLIER -103.39 -47.44 4.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.579 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -67.7 123.59 20.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.883 ' CZ3' HG23 ' A' ' 36' ' ' THR . 6.9 m95 -143.67 129.4 19.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 108.002 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.465 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -118.77 159.37 14.44 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.521 1.138 . . . . 0.0 110.95 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -56.41 -35.87 68.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 0.75 . . . . 0.0 110.402 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.661 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 10.0 mtm180 -96.78 7.08 47.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.443 1.089 . . . . 0.0 110.311 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.465 ' CB ' ' H ' ' A' ' 41' ' ' GLY . 0.4 OUTLIER -104.08 163.1 12.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 1.009 HD23 ' CG1' ' A' ' 47' ' ' VAL . 5.4 tp -97.34 150.49 20.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.6 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 5.4 tt0 -88.46 31.38 0.83 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 110.289 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 1.009 ' CG1' HD23 ' A' ' 45' ' ' LEU . 34.3 m -64.02 160.46 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.36 157.96 38.58 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.642 ' CA ' HG22 ' A' ' 35' ' ' ILE . 18.4 Cg_endo -75.02 124.77 8.86 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.486 1.782 . . . . 0.0 111.03 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 32' ' ' THR . . . 100.82 13.37 34.62 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.485 1.116 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.56 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.5 OUTLIER -104.93 171.85 7.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 0.789 . . . . 0.0 110.286 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.21 130.07 48.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.989 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.757 HD11 ' O ' ' A' ' 67' ' ' ARG . 61.7 tp -140.25 165.8 26.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.93 ' HG2' HG11 ' A' ' 25' ' ' VAL . 3.5 mt-10 -77.73 134.37 38.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 1.06 HG11 ' CE2' ' A' ' 27' ' ' TYR . 2.2 t -104.16 130.16 55.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.978 HG22 ' H ' ' A' ' 57' ' ' GLN . 12.5 mt -91.92 -137.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.978 ' H ' HG22 ' A' ' 56' ' ' ILE . 11.6 tt0 -95.15 156.92 16.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.313 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.643 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 3.1 p -67.66 124.67 23.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 110.383 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.545 ' HB ' ' HB3' ' A' ' 63' ' ' LYS . 1.4 m -56.08 -74.88 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.538 1.148 . . . . 0.0 110.428 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -105.61 -91.52 0.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -117.98 -56.97 2.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.52 HG22 ' CB ' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -116.96 69.09 0.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.413 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.643 ' O ' ' HA ' ' A' ' 58' ' ' THR . 0.0 OUTLIER -158.13 129.69 6.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.277 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.533 HG22 ' HG ' ' A' ' 81' ' ' LEU . 3.8 m -121.59 126.21 74.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.358 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.866 HD12 ' O ' ' A' ' 74' ' ' GLY . 0.1 OUTLIER -89.49 121.25 31.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.783 ' SG ' HG21 ' A' ' 76' ' ' VAL . 34.6 m -90.14 158.6 17.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 108.299 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.757 ' O ' HD11 ' A' ' 53' ' ' LEU . 6.6 ttm180 -134.36 142.91 47.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.334 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.416 ' C ' ' H ' ' A' ' 70' ' ' GLU . 1.2 p30 -121.03 142.51 49.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.347 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -57.3 -10.01 1.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 110.251 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.416 ' H ' ' C ' ' A' ' 68' ' ' ASN . 3.5 tp10 -61.06 -9.32 4.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 110.343 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 85.82 14.32 67.75 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.498 1.124 . . . . 0.0 111.032 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.94 156.95 37.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 0.789 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.822 ' CE2' HD13 ' A' ' 23' ' ' ILE . 4.5 m-85 -119.56 166.23 13.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 111.023 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.866 ' O ' HD12 ' A' ' 65' ' ' LEU . . . -157.75 158.7 29.29 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.525 1.141 . . . . 0.0 111.004 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.893 ' CZ ' ' CE2' ' A' ' 17' ' ' PHE . 4.5 m-85 -104.31 154.53 19.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 0.77 . . . . 0.0 110.985 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.783 HG21 ' SG ' ' A' ' 66' ' ' CYS . 2.2 t -140.16 125.52 20.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.449 HD23 ' H ' ' A' ' 78' ' ' ARG . 0.1 OUTLIER -77.02 143.85 39.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.52 ' CB ' HG22 ' A' ' 62' ' ' THR . 0.0 OUTLIER -56.99 -23.13 43.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.289 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.63 -59.68 3.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.987 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.733 ' CE1' HG21 ' A' ' 36' ' ' THR . 18.6 p90 -117.98 79.93 1.44 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 110.971 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 1.176 HD22 ' N ' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -165.25 140.46 5.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 1.176 ' N ' HD22 ' A' ' 81' ' ' LEU . . . -53.96 171.28 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.238 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.433 0 O-C-N 124.45 1.094 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.783 ' O ' ' HB2' ' A' ' 17' ' ' PHE . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.477 0.179 . . . . 0.0 111.001 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.437 ' N ' ' CD2' ' A' ' 13' ' ' PHE . 4.1 ttt-85 -60.24 -28.31 67.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.308 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.51 -59.45 4.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.498 ' CG ' ' HD3' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -84.16 -32.6 24.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 1.2 ' O ' ' N ' ' A' ' 19' ' ' TYR . 10.5 m-85 -87.67 29.04 0.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -34.95 6.95 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 1.2 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -64.6 121.41 14.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 179.944 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -99.51 97.82 8.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.7 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.61 -169.75 15.74 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.454 1.096 . . . . 0.0 111.002 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -102.92 92.67 4.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 0.761 . . . . 0.0 110.272 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.857 HD13 ' CE2' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -67.19 108.54 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.336 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.403 ' CD ' ' O ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -154.34 116.54 4.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.163 . . . . 0.0 110.276 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.852 HG21 ' CG ' ' A' ' 54' ' ' GLU . 7.5 p -65.1 99.01 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -90.9 -48.36 7.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 1.148 ' CE2' HG11 ' A' ' 55' ' ' VAL . 34.5 p90 -127.65 84.93 2.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 110.973 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.749 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 12.2 p -72.77 110.67 7.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.992 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.755 HG22 ' CG2' ' A' ' 55' ' ' VAL . 3.1 t -85.33 161.24 19.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.368 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.94 136.61 40.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.623 ' CG1' HG21 ' A' ' 35' ' ' ILE . 1.6 t -73.66 119.15 20.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.77 HG23 ' H ' ' A' ' 34' ' ' SER . 12.1 t -77.91 178.87 7.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.437 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.524 ' HA ' ' HB2' ' A' ' 49' ' ' PRO . 1.3 t -80.04 -11.37 59.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 110.399 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.77 ' H ' HG23 ' A' ' 32' ' ' THR . 1.2 t -99.48 13.25 33.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 109.998 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.677 HG22 ' CA ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -70.78 171.58 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.881 ' O ' ' CH2' ' A' ' 40' ' ' TRP . 1.7 t -69.88 117.38 11.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 110.382 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -119.24 -28.09 5.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.954 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.438 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -103.36 -48.58 3.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.551 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -68.19 124.24 22.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 109.337 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.881 ' CH2' ' O ' ' A' ' 36' ' ' THR . 7.3 m95 -143.87 132.23 22.07 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.015 -1.105 . . . . 0.0 108.015 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.451 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -119.45 158.63 15.0 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.502 1.126 . . . . 0.0 111.041 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.7 t -56.33 -35.7 67.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 0.784 . . . . 0.0 110.419 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.631 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 8.1 mtm180 -97.43 7.21 46.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.326 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.451 ' CB ' ' H ' ' A' ' 41' ' ' GLY . 0.3 OUTLIER -103.34 163.76 12.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.897 HD13 ' HA3' ' A' ' 74' ' ' GLY . 4.7 tp -97.45 151.87 19.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.608 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 5.1 tt0 -89.32 30.85 0.94 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.278 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.802 ' O ' ' CH2' ' A' ' 40' ' ' TRP . 16.1 m -63.87 160.16 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.316 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -114.26 156.18 44.65 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.677 ' CA ' HG22 ' A' ' 35' ' ' ILE . 18.2 Cg_endo -74.97 129.09 12.04 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.53 1.806 . . . . 0.0 111.038 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 32' ' ' THR . . . 100.61 12.28 38.49 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.501 1.126 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.62 ' O ' HG23 ' A' ' 31' ' ' VAL . 7.4 tp10 -109.13 171.95 7.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 0.787 . . . . 0.0 110.333 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 29.6 t -110.99 131.15 55.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.992 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 1.043 HD23 ' O ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -140.02 154.48 47.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 109.312 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.852 ' CG ' HG21 ' A' ' 25' ' ' VAL . 0.4 OUTLIER -82.1 134.89 35.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.126 . . . . 0.0 110.29 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 1.148 HG11 ' CE2' ' A' ' 27' ' ' TYR . 2.4 t -104.62 128.43 58.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.581 1.176 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.97 HG22 ' H ' ' A' ' 57' ' ' GLN . 4.9 mt -92.98 -137.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.97 ' H ' HG22 ' A' ' 56' ' ' ILE . 12.1 tt0 -94.09 156.19 16.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 110.297 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.64 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 1.4 p -67.59 121.08 15.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.397 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.468 ' HB ' ' HB3' ' A' ' 63' ' ' LYS . 1.2 m -54.51 -74.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.365 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.407 ' CG ' ' N ' ' A' ' 61' ' ' ASP . 8.1 t0 -104.82 -91.91 0.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.407 ' N ' ' CG ' ' A' ' 60' ' ' ASP . 0.3 OUTLIER -117.88 -57.29 2.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.335 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.445 ' CG2' ' HG2' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -117.83 68.66 0.77 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 110.417 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.64 ' O ' ' HA ' ' A' ' 58' ' ' THR . 41.6 tttt -154.71 130.98 10.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.888 HG12 ' OH ' ' A' ' 27' ' ' TYR . 3.5 m -119.66 128.23 75.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.768 ' CD2' HD12 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -88.09 128.99 35.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.608 ' HB2' HD11 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -91.08 156.7 17.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 108.314 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.677 ' HG3' ' CD2' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -137.62 136.88 37.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 110.285 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.412 ' C ' ' H ' ' A' ' 70' ' ' GLU . 0.4 OUTLIER -122.48 138.85 54.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.316 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -58.82 -8.89 1.5 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 110.281 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.412 ' H ' ' C ' ' A' ' 68' ' ' ASN . 2.7 tp10 -63.25 -7.16 5.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.276 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.66 11.22 71.54 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.514 1.134 . . . . 0.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -124.33 156.66 36.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 0.762 . . . . 0.0 109.259 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.857 ' CE2' HD13 ' A' ' 23' ' ' ILE . 3.6 m-85 -121.25 168.31 11.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 111.004 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.897 ' HA3' HD13 ' A' ' 45' ' ' LEU . . . -156.95 157.66 28.19 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.443 1.089 . . . . 0.0 111.018 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.898 ' CZ ' ' CE2' ' A' ' 17' ' ' PHE . 3.4 m-85 -104.66 149.84 25.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 0.752 . . . . 0.0 111.033 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.737 ' CG1' HD12 ' A' ' 81' ' ' LEU . 2.1 t -143.22 125.9 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.165 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.446 ' HA ' HD23 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -75.65 138.01 41.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.445 ' HG2' ' CG2' ' A' ' 62' ' ' THR . 0.0 OUTLIER -55.93 -18.38 8.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.1 t -48.06 -57.76 5.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.028 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.77 ' CE1' ' CG2' ' A' ' 36' ' ' THR . 13.8 p90 -115.02 82.78 1.8 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 111.039 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.814 HD23 ' H ' ' A' ' 82' ' ' ALA . 0.3 OUTLIER -166.46 174.08 9.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.814 ' H ' HD23 ' A' ' 81' ' ' LEU . . . -98.68 165.76 11.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.449 ' O ' ' OG1' ' A' ' 29' ' ' THR . 1.1 m-20 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.88 ' CE1' ' CD2' ' A' ' 17' ' ' PHE . 1.1 t80 . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.478 0.18 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.41 ' N ' ' CD2' ' A' ' 13' ' ' PHE . 19.6 ttm180 -59.88 -28.66 67.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 110.289 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.44 ' CE ' ' HD2' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -54.59 -59.0 5.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.258 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.48 ' HG2' ' CD ' ' A' ' 43' ' ' ARG . 0.2 OUTLIER -84.41 -31.65 24.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 1.194 ' O ' ' N ' ' A' ' 19' ' ' TYR . 15.3 m-85 -87.95 29.92 0.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -34.8 6.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 1.194 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -65.15 121.81 15.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 111.012 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -100.48 97.93 8.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.7 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.86 -169.67 15.81 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.468 1.105 . . . . 0.0 110.975 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -102.85 92.78 4.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 0.765 . . . . 0.0 110.298 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.737 HD11 ' CZ ' ' A' ' 13' ' ' PHE . 0.2 OUTLIER -69.02 107.51 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.23 116.82 3.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.09 . . . . 0.0 110.302 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.996 HG11 ' HG2' ' A' ' 54' ' ' GLU . 48.9 t -65.53 99.91 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.418 1.074 . . . . 0.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -90.25 -48.53 7.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 1.127 ' CE2' HG11 ' A' ' 55' ' ' VAL . 31.3 p90 -127.29 86.62 2.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.806 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 68.7 p -71.97 110.1 6.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.01 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.553 HG21 ' CD2' ' A' ' 81' ' ' LEU . 0.6 OUTLIER -88.9 160.88 16.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 110.395 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.429 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -99.84 137.3 38.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 0.0 109.275 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.652 ' CG1' HD12 ' A' ' 35' ' ' ILE . 1.7 t -72.56 122.16 24.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.858 HG23 ' H ' ' A' ' 34' ' ' SER . 10.6 t -76.36 178.57 6.43 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.472 1.107 . . . . 0.0 110.356 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.498 ' HA ' ' HB2' ' A' ' 49' ' ' PRO . 11.4 t -80.64 -16.18 54.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.422 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.858 ' H ' HG23 ' A' ' 32' ' ' THR . 3.3 t -95.26 13.44 25.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.138 . . . . 0.0 110.013 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.692 HG22 ' CA ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -70.6 171.73 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.861 HG23 ' CZ3' ' A' ' 40' ' ' TRP . 2.1 t -70.0 117.93 12.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.393 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.99 -27.74 5.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.008 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.438 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 6.2 ptpp? -104.1 -48.03 3.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.573 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -67.74 124.11 22.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.861 ' CZ3' HG23 ' A' ' 36' ' ' THR . 7.1 m95 -143.93 131.53 21.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 108.023 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.46 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -119.39 159.96 14.51 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.493 1.121 . . . . 0.0 110.932 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.6 p -56.69 -36.34 69.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.772 . . . . 0.0 110.398 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.665 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 4.1 mtm105 -96.5 7.48 46.41 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.125 . . . . 0.0 110.323 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.46 ' CB ' ' H ' ' A' ' 41' ' ' GLY . 0.4 OUTLIER -104.2 163.13 12.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.864 HD23 ' CG1' ' A' ' 47' ' ' VAL . 2.8 tp -98.21 153.78 18.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.601 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 5.3 tt0 -89.27 31.39 0.9 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 110.321 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.864 ' CG1' HD23 ' A' ' 45' ' ' LEU . 25.3 m -63.94 160.54 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.27 155.69 46.59 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.692 ' CA ' HG22 ' A' ' 35' ' ' ILE . 18.3 Cg_endo -74.98 126.01 9.71 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.472 1.775 . . . . 0.0 111.02 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 32' ' ' THR . . . 100.47 16.52 26.75 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.509 1.13 . . . . 0.0 110.964 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.605 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.6 OUTLIER -112.56 172.11 7.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 0.758 . . . . 0.0 110.312 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.2 p -104.9 130.88 52.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.955 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.946 ' C ' HD12 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -140.77 146.38 37.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.303 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.996 ' HG2' HG11 ' A' ' 25' ' ' VAL . 3.6 mt-10 -78.45 129.15 34.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 110.294 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 1.127 HG11 ' CE2' ' A' ' 27' ' ' TYR . 2.9 t -99.09 127.43 51.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.94 HG22 ' H ' ' A' ' 57' ' ' GLN . 2.1 mt -93.35 -138.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.94 ' H ' HG22 ' A' ' 56' ' ' ILE . 16.0 mm100 -94.58 155.65 16.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.32 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.575 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 4.8 p -67.0 120.91 14.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.436 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.519 ' HB ' ' CG ' ' A' ' 63' ' ' LYS . 1.1 m -53.47 -75.38 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.142 . . . . 0.0 110.402 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.476 ' N ' HG22 ' A' ' 59' ' ' THR . 4.2 t0 -105.47 -91.07 0.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.351 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.422 ' N ' ' CG ' ' A' ' 60' ' ' ASP . 13.7 m-20 -117.16 -57.69 2.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.252 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.502 ' CG2' ' HG3' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -118.84 69.45 0.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.364 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.575 ' O ' ' HA ' ' A' ' 58' ' ' THR . 9.8 tppt? -152.54 130.54 11.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.15 . . . . 0.0 109.351 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.854 HG23 HD13 ' A' ' 81' ' ' LEU . 0.1 OUTLIER -117.9 126.82 75.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 1.031 HD12 ' O ' ' A' ' 74' ' ' GLY . 1.5 tp -87.78 128.26 35.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.868 ' SG ' HD13 ' A' ' 53' ' ' LEU . 1.7 t -89.68 155.57 19.13 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.496 1.122 . . . . 0.0 108.307 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.685 ' HG3' ' CD2' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -137.27 136.54 38.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.427 ' C ' ' H ' ' A' ' 70' ' ' GLU . 0.2 OUTLIER -121.73 137.55 54.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.163 . . . . 0.0 109.295 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.29 -8.69 1.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.322 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.427 ' H ' ' C ' ' A' ' 68' ' ' ASN . 2.1 tp10 -63.19 -6.44 4.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 110.342 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 87.13 10.74 70.99 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.521 1.138 . . . . 0.0 111.024 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 15.9 tttt -124.23 156.69 36.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 0.772 . . . . 0.0 109.269 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.737 ' HB2' ' CD1' ' A' ' 13' ' ' PHE . 4.3 m-85 -120.62 168.66 11.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 111.043 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 1.031 ' O ' HD12 ' A' ' 65' ' ' LEU . . . -157.77 159.43 29.89 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.509 1.131 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.891 ' CE2' ' CE2' ' A' ' 17' ' ' PHE . 9.2 m-85 -103.83 151.75 22.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 0.766 . . . . 0.0 111.044 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.707 ' CG1' HD12 ' A' ' 81' ' ' LEU . 1.5 t -143.04 126.59 14.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.574 HD22 ' CD ' ' A' ' 78' ' ' ARG . 0.0 OUTLIER -74.03 136.35 43.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.574 ' CD ' HD22 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -55.58 -19.34 9.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.289 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 30.5 t -47.79 -58.13 4.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.122 . . . . 0.0 110.006 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.746 ' CE1' ' CG2' ' A' ' 36' ' ' THR . 11.3 p90 -114.95 84.51 2.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 111.0 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.972 HD23 ' H ' ' A' ' 82' ' ' ALA . 0.4 OUTLIER -167.48 174.95 7.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 109.251 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.972 ' H ' HD23 ' A' ' 81' ' ' LEU . . . -79.42 172.27 14.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.247 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 109.345 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.971 ' CE1' ' CD2' ' A' ' 17' ' ' PHE . 33.5 t80 . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.541 0.21 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -59.95 -29.32 68.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.306 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.44 -59.35 4.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.475 ' HG2' ' CD ' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -84.6 -34.32 23.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 0.0 109.306 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 1.177 ' O ' ' N ' ' A' ' 19' ' ' TYR . 9.2 m-85 -87.95 27.46 1.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 111.031 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -36.31 8.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 1.177 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -63.23 122.13 15.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.994 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -101.13 97.87 8.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.694 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -147.97 -169.81 15.42 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.502 1.127 . . . . 0.0 111.052 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.53 91.7 4.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 0.753 . . . . 0.0 110.263 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.783 HD13 ' CE2' ' A' ' 73' ' ' TYR . 0.2 OUTLIER -66.92 109.27 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.155 . . . . 0.0 109.321 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.476 ' CA ' HH22 ' A' ' 67' ' ' ARG . 0.0 OUTLIER -152.4 116.24 4.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.143 . . . . 0.0 110.28 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.977 HG11 ' HG2' ' A' ' 54' ' ' GLU . 25.7 t -65.9 100.59 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.53 -48.67 6.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 1.164 ' CE2' HG11 ' A' ' 55' ' ' VAL . 29.7 p90 -128.7 88.41 2.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.978 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.753 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 4.0 p -72.25 111.21 7.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.003 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.913 HG21 HD11 ' A' ' 81' ' ' LEU . 1.3 t -88.64 160.76 17.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 110.411 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.818 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 11.1 tmtt? -100.03 138.73 36.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 51' ' ' GLU . 2.1 t -70.57 115.02 9.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.879 HG22 ' H ' ' A' ' 34' ' ' SER . 1.2 m -74.17 136.06 42.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.389 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.561 ' O ' ' HB2' ' A' ' 49' ' ' PRO . 14.6 t -44.53 -17.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.408 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.879 ' H ' HG22 ' A' ' 32' ' ' THR . 0.1 OUTLIER -91.26 13.39 17.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.988 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.676 HG22 ' CA ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -71.52 173.54 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.883 HG23 ' CZ3' ' A' ' 40' ' ' TRP . 1.6 t -71.48 119.66 15.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.436 1.085 . . . . 0.0 110.389 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.437 ' HB3' ' CD ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER -118.19 -27.88 5.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.959 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.444 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 5.0 ptpp? -104.68 -48.07 3.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.577 ' O ' ' OG1' ' A' ' 36' ' ' THR . 0.0 OUTLIER -67.58 124.68 23.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.229 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.883 ' CZ3' HG23 ' A' ' 36' ' ' THR . 6.8 m95 -144.34 128.83 18.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 108.006 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.456 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -118.13 159.77 14.12 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.528 1.142 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 29.4 p -56.6 -36.0 68.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 0.786 . . . . 0.0 110.441 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.675 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 4.0 mtm180 -95.93 6.91 47.75 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.544 1.152 . . . . 0.0 110.305 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.456 ' CB ' ' H ' ' A' ' 41' ' ' GLY . 0.2 OUTLIER -104.37 162.43 13.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.138 . . . . 0.0 109.264 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 1.057 HD23 ' CG1' ' A' ' 47' ' ' VAL . 5.2 tp -97.98 152.72 18.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.143 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.608 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 5.2 tt0 -88.7 31.16 0.85 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.271 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 1.057 ' CG1' HD23 ' A' ' 45' ' ' LEU . 22.0 m -64.4 160.75 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.47 153.62 44.83 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.676 ' CA ' HG22 ' A' ' 35' ' ' ILE . 18.2 Cg_endo -75.04 127.94 11.06 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.529 1.805 . . . . 0.0 110.973 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.43 11.43 44.81 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.496 1.122 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.708 ' O ' HG23 ' A' ' 31' ' ' VAL . 7.0 tp10 -106.41 170.83 7.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.551 0.795 . . . . 0.0 110.321 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.22 131.06 50.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.976 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.929 ' C ' HD12 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -140.51 145.93 37.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.977 ' HG2' HG11 ' A' ' 25' ' ' VAL . 4.3 mt-10 -78.85 131.64 36.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.27 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 1.164 HG11 ' CE2' ' A' ' 27' ' ' TYR . 2.5 t -100.29 126.26 53.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.429 1.08 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.945 HG22 ' H ' ' A' ' 57' ' ' GLN . 2.6 mt -92.93 -136.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.426 1.079 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.945 ' H ' HG22 ' A' ' 56' ' ' ILE . 33.4 mm-40 -93.33 153.65 18.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.287 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.599 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 1.9 p -66.55 120.64 13.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.394 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.71 HG21 ' HD3' ' A' ' 63' ' ' LYS . 1.2 m -54.1 -74.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.404 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.43 ' CG ' ' N ' ' A' ' 61' ' ' ASP . 3.8 t70 -105.16 -91.23 0.39 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.43 ' N ' ' CG ' ' A' ' 60' ' ' ASP . 85.2 m-20 -118.0 -57.66 2.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.14 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.34 68.76 0.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.408 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.71 ' HD3' HG21 ' A' ' 59' ' ' THR . 24.8 tttp -154.75 130.77 10.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.662 HG22 HD22 ' A' ' 81' ' ' LEU . 32.0 m -118.45 131.67 70.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.685 ' CD2' HD12 ' A' ' 56' ' ' ILE . 0.6 OUTLIER -86.31 126.91 34.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.797 ' SG ' HD13 ' A' ' 53' ' ' LEU . 1.6 t -88.77 155.84 19.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 108.288 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.692 ' NH2' HG23 ' A' ' 25' ' ' VAL . 4.2 ttm180 -137.65 146.38 43.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.282 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.668 ' OD1' HD21 ' A' ' 45' ' ' LEU . 5.9 m120 -117.15 134.78 54.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -54.88 -17.43 3.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.328 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -79.06 -4.18 48.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 88.84 23.54 35.38 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.547 1.154 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.53 123.28 49.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 0.778 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.783 ' CE2' HD13 ' A' ' 23' ' ' ILE . 24.0 m-85 -104.0 156.27 18.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 111.034 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.856 ' HA3' HD13 ' A' ' 45' ' ' LEU . . . -156.75 160.26 30.17 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.893 ' CZ ' ' CE2' ' A' ' 17' ' ' PHE . 2.7 m-85 -102.99 149.96 24.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 0.776 . . . . 0.0 110.983 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.2 t -139.95 125.14 20.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.5 ' CD2' ' HD3' ' A' ' 78' ' ' ARG . 0.1 OUTLIER -78.26 141.81 38.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.565 ' HA ' HD23 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -57.17 -20.0 23.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 110.251 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.0 t -50.58 -60.18 3.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 110.01 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.754 ' CE1' ' CG2' ' A' ' 36' ' ' THR . 17.6 p90 -116.54 84.12 2.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.976 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.913 HD11 HG21 ' A' ' 29' ' ' THR . 0.1 OUTLIER -166.6 174.79 8.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.871 ' H ' HD12 ' A' ' 81' ' ' LEU . . . -79.39 173.52 12.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.438 1.086 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.822 ' CE2' ' CD2' ' A' ' 17' ' ' PHE . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.455 0.169 . . . . 0.0 110.957 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.472 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 9.3 ttp180 -60.06 -28.62 67.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.148 . . . . 0.0 110.353 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.02 -59.15 5.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.444 ' HG2' ' CD ' ' A' ' 43' ' ' ARG . 11.3 tptp -84.63 -32.21 23.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 1.185 ' O ' ' N ' ' A' ' 19' ' ' TYR . 9.0 m-85 -87.33 29.7 0.84 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 111.002 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -35.49 7.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 1.185 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -63.88 121.59 14.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 111.008 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -99.97 98.08 8.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.698 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.67 -169.86 15.89 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.512 1.132 . . . . 0.0 110.975 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -103.22 92.22 4.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 0.754 . . . . 0.0 110.334 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.967 HD13 ' CE2' ' A' ' 73' ' ' TYR . 0.2 OUTLIER -67.7 109.3 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -153.02 116.06 4.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 110.272 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.948 HG11 ' HG2' ' A' ' 54' ' ' GLU . 63.4 t -66.39 99.81 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.64 -47.6 7.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 1.088 ' CE2' HG11 ' A' ' 55' ' ' VAL . 30.5 p90 -125.86 89.53 3.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.754 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 95.0 p -71.95 110.59 6.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.035 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.923 HG21 HD11 ' A' ' 81' ' ' LEU . 1.3 t -89.94 159.38 16.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.411 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.879 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -103.52 137.13 42.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.629 ' CG1' HG21 ' A' ' 35' ' ' ILE . 1.7 t -71.22 121.28 20.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.78 HG23 ' H ' ' A' ' 34' ' ' SER . 13.9 t -75.46 178.46 5.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.416 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.547 ' HA ' ' HB2' ' A' ' 49' ' ' PRO . 2.7 t -80.77 -15.81 55.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.44 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.78 ' H ' HG23 ' A' ' 32' ' ' THR . 8.1 t -96.07 13.67 26.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.011 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.67 HG22 ' CB ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -70.41 170.65 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.849 HG23 ' CZ3' ' A' ' 40' ' ' TRP . 1.7 t -70.33 117.85 12.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.433 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.84 -28.55 5.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.977 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.442 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 0.6 OUTLIER -104.28 -48.07 3.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.569 ' O ' ' OG1' ' A' ' 36' ' ' THR . 0.0 OUTLIER -67.91 125.15 25.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.274 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.849 ' CZ3' HG23 ' A' ' 36' ' ' THR . 7.4 m95 -144.17 131.05 20.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 107.972 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.461 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -118.06 159.87 14.06 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 34.0 p -56.53 -35.69 68.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 0.799 . . . . 0.0 110.399 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.685 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 5.9 mtm180 -95.97 6.62 48.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.331 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.461 ' CB ' ' H ' ' A' ' 41' ' ' GLY . 0.3 OUTLIER -104.41 162.22 13.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.891 HD13 ' HA3' ' A' ' 74' ' ' GLY . 4.3 tp -98.88 157.24 16.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.256 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.593 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 5.5 tt0 -89.35 31.5 0.9 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.789 ' O ' ' CH2' ' A' ' 40' ' ' TRP . 21.5 m -63.65 160.88 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.95 155.6 50.94 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.67 ' CB ' HG22 ' A' ' 35' ' ' ILE . 18.1 Cg_endo -75.04 130.99 13.73 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.531 1.806 . . . . 0.0 110.937 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.6 6.45 52.76 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.456 1.098 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.57 ' O ' HG23 ' A' ' 31' ' ' VAL . 5.6 tt0 -100.28 172.02 7.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 0.782 . . . . 0.0 110.29 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -122.61 128.96 51.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.984 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 1.089 HD22 ' H ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -141.92 154.97 45.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 109.264 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 1.089 ' H ' HD22 ' A' ' 53' ' ' LEU . 2.9 mt-10 -74.71 132.49 41.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 110.306 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 1.088 HG11 ' CE2' ' A' ' 27' ' ' TYR . 2.2 t -101.34 134.17 42.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.944 HG22 ' H ' ' A' ' 57' ' ' GLN . 3.1 mt -92.97 -137.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.944 ' H ' HG22 ' A' ' 56' ' ' ILE . 26.2 mm100 -95.27 157.24 15.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.646 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 2.8 p -66.98 119.42 11.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.386 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.537 HG22 ' N ' ' A' ' 60' ' ' ASP . 0.9 OUTLIER -53.92 -73.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 110.39 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.537 ' N ' HG22 ' A' ' 59' ' ' THR . 3.2 t70 -104.4 -91.29 0.38 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.44 ' N ' ' CG ' ' A' ' 60' ' ' ASP . 4.3 m-20 -117.4 -58.07 2.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.16 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.599 HG21 ' HD2' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -119.21 69.42 0.82 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 110.381 -179.928 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.646 ' O ' ' HA ' ' A' ' 58' ' ' THR . 5.8 ttpt -154.66 130.49 10.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.307 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.667 HG22 HD22 ' A' ' 81' ' ' LEU . 31.5 m -116.93 132.31 67.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.914 HD12 ' O ' ' A' ' 74' ' ' GLY . 13.5 tp -87.72 128.19 35.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.25 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.858 ' SG ' HD22 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -90.84 150.71 21.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 108.318 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.875 ' H ' HD21 ' A' ' 53' ' ' LEU . 1.2 ttt180 -139.31 132.24 29.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.265 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.457 HD22 ' HD2' ' A' ' 72' ' ' LYS . 0.2 OUTLIER -121.4 138.42 54.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -54.99 -11.57 0.67 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 110.342 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.428 ' N ' ' C ' ' A' ' 68' ' ' ASN . 1.2 tt0 -59.75 -9.04 2.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 110.296 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 87.07 10.87 70.89 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.599 ' CD ' HD11 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -124.74 151.73 44.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 0.742 . . . . 0.0 109.32 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.967 ' CE2' HD13 ' A' ' 23' ' ' ILE . 7.4 m-85 -114.37 170.59 8.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.096 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.914 ' O ' HD12 ' A' ' 65' ' ' LEU . . . -157.35 158.03 28.6 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.499 1.125 . . . . 0.0 111.008 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.888 ' CD2' ' CZ ' ' A' ' 17' ' ' PHE . 1.6 m-85 -105.9 152.1 23.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.775 . . . . 0.0 110.988 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 t -142.19 125.71 15.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 77' ' ' LEU . 0.1 OUTLIER -80.46 142.29 34.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.599 ' HD2' HG21 ' A' ' 62' ' ' THR . 0.0 OUTLIER -58.21 -21.14 46.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.266 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.465 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 0.5 OUTLIER -50.06 -59.69 3.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.988 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.772 ' CE1' ' CG2' ' A' ' 36' ' ' THR . 15.6 p90 -117.57 83.26 1.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.923 HD11 HG21 ' A' ' 29' ' ' THR . 0.1 OUTLIER -166.14 174.56 9.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.879 ' HB2' ' O ' ' A' ' 30' ' ' LYS . . . -76.5 173.39 11.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.328 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.825 ' CE2' ' CD2' ' A' ' 17' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.487 0.184 . . . . 0.0 111.03 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.592 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 4.3 ttp-105 -58.86 -35.65 73.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 110.331 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.433 ' HD3' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -51.67 -57.6 8.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.473 ' CG ' ' HD3' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -83.05 -33.87 26.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.366 179.926 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 1.19 ' O ' ' N ' ' A' ' 19' ' ' TYR . 7.5 m-85 -87.48 29.81 0.85 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.963 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -35.2 7.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 1.19 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -64.3 121.84 15.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 110.979 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -99.55 97.9 8.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.115 . . . . 0.0 109.271 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.698 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.69 -169.72 15.76 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.551 1.157 . . . . 0.0 110.968 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -102.26 92.77 4.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 0.75 . . . . 0.0 110.283 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.852 HG12 HD13 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -68.18 108.53 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.08 116.08 4.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.292 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.933 HG11 ' CG ' ' A' ' 54' ' ' GLU . 60.8 t -66.0 100.19 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -90.62 -49.2 6.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.273 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 1.137 ' CE2' HG11 ' A' ' 55' ' ' VAL . 31.4 p90 -126.95 88.13 2.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.09 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.724 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 70.1 p -71.74 110.89 6.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.981 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.966 HG21 HD11 ' A' ' 81' ' ' LEU . 2.6 t -84.68 160.14 20.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 110.367 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.868 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 0.3 OUTLIER -101.72 135.08 43.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.641 ' CG1' HG21 ' A' ' 35' ' ' ILE . 1.7 t -72.45 120.89 21.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.254 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.897 HG23 ' H ' ' A' ' 34' ' ' SER . 8.2 t -75.91 178.88 5.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.384 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.498 ' HA ' ' HB2' ' A' ' 49' ' ' PRO . 5.3 t -80.8 -15.64 55.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.437 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.897 ' H ' HG23 ' A' ' 32' ' ' THR . 11.4 t -95.88 13.39 26.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.005 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.656 HG22 ' CA ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -70.47 171.32 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.875 ' O ' ' CH2' ' A' ' 40' ' ' TRP . 1.6 t -70.42 117.24 11.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 110.4 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.77 -27.52 5.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.012 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.453 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 1.1 ptpt -104.46 -48.82 3.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.57 ' O ' ' OG1' ' A' ' 36' ' ' THR . 0.0 OUTLIER -68.06 125.47 26.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.875 ' CH2' ' O ' ' A' ' 36' ' ' THR . 7.3 m95 -144.32 130.57 19.69 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.015 -1.105 . . . . 0.0 108.015 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.468 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -118.61 159.6 14.31 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.543 1.152 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 10.7 t -56.37 -35.69 67.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 0.76 . . . . 0.0 110.364 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.669 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 6.7 mtm105 -96.37 7.29 46.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.16 . . . . 0.0 110.278 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.468 ' CB ' ' H ' ' A' ' 41' ' ' GLY . 0.2 OUTLIER -104.86 162.31 13.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.948 HD13 ' HA3' ' A' ' 74' ' ' GLY . 5.0 tp -98.02 154.77 17.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.592 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 6.0 tt0 -89.11 30.54 0.95 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 110.323 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.787 ' O ' ' CH2' ' A' ' 40' ' ' TRP . 19.4 m -63.77 160.04 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.8 mptt -114.68 155.46 46.12 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.656 ' CA ' HG22 ' A' ' 35' ' ' ILE . 18.1 Cg_endo -74.98 126.94 10.31 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.496 1.788 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 32' ' ' THR . . . 101.04 11.45 39.66 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.484 1.115 . . . . 0.0 111.018 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.624 ' O ' HG23 ' A' ' 31' ' ' VAL . 2.8 mp0 -106.87 172.05 7.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 0.753 . . . . 0.0 110.29 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 p -113.17 131.36 55.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.035 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 1.014 HD23 ' O ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -140.47 157.21 45.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.933 ' CG ' HG11 ' A' ' 25' ' ' VAL . 0.9 OUTLIER -81.11 135.31 35.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.338 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 1.137 HG11 ' CE2' ' A' ' 27' ' ' TYR . 2.2 t -104.97 127.91 59.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.968 HG22 ' H ' ' A' ' 57' ' ' GLN . 5.1 mt -93.19 -137.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.252 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.968 ' H ' HG22 ' A' ' 56' ' ' ILE . 28.9 mm100 -93.71 155.2 17.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 110.279 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.64 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 3.0 p -67.3 121.42 15.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 110.415 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.447 ' OG1' ' CE1' ' A' ' 75' ' ' TYR . 1.2 m -54.51 -74.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.41 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.404 ' CG ' ' N ' ' A' ' 61' ' ' ASP . 5.2 t70 -105.47 -91.09 0.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.404 ' N ' ' CG ' ' A' ' 60' ' ' ASP . 4.0 m-20 -117.84 -57.27 2.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.484 HG21 ' HD2' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -118.11 68.83 0.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.427 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.64 ' O ' ' HA ' ' A' ' 58' ' ' THR . 0.0 OUTLIER -155.12 130.91 9.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.272 -179.93 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.653 HG22 HD22 ' A' ' 81' ' ' LEU . 35.1 m -120.04 129.49 75.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.765 ' CD2' HD12 ' A' ' 56' ' ' ILE . 0.2 OUTLIER -87.97 129.13 35.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.633 ' HB2' HD11 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -90.32 155.68 18.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 108.344 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.684 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 16.6 ttp85 -137.85 134.95 35.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.318 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.423 ' C ' ' H ' ' A' ' 70' ' ' GLU . 0.2 OUTLIER -122.12 138.28 54.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -55.91 -10.79 0.84 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.286 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.423 ' H ' ' C ' ' A' ' 68' ' ' ASN . 2.9 tp10 -63.03 -7.96 6.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 110.287 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.23 10.46 74.45 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.482 1.114 . . . . 0.0 110.998 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -120.1 156.79 30.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 0.756 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.725 ' HB2' ' CD2' ' A' ' 13' ' ' PHE . 4.4 m-85 -123.49 167.65 13.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 111.008 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.948 ' HA3' HD13 ' A' ' 45' ' ' LEU . . . -157.21 158.02 28.55 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.564 1.165 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.9 ' CZ ' ' CE2' ' A' ' 17' ' ' PHE . 2.3 m-85 -104.57 153.61 20.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 0.737 . . . . 0.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.6 t -142.87 126.03 13.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 77' ' ' LEU . 0.1 OUTLIER -77.89 140.46 39.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.254 -179.934 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.623 ' HA ' HD23 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -57.4 -20.04 27.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 110.287 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.449 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 13.6 t -50.14 -59.38 3.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.971 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.77 ' CE1' ' CG2' ' A' ' 36' ' ' THR . 17.9 p90 -117.01 83.99 2.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.57 1.169 . . . . 0.0 110.985 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.966 HD11 HG21 ' A' ' 29' ' ' THR . 0.1 OUTLIER -167.07 175.31 7.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.896 ' H ' HD12 ' A' ' 81' ' ' LEU . . . -78.95 172.52 13.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.829 ' CE2' ' CD2' ' A' ' 17' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.517 0.199 . . . . 0.0 110.982 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.579 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 4.4 ttp180 -58.31 -36.63 73.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 110.358 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.439 ' HD3' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -51.81 -57.27 9.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.447 ' HA ' ' CE ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -82.51 -34.7 27.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 1.189 ' O ' ' N ' ' A' ' 19' ' ' TYR . 9.6 m-85 -87.3 29.86 0.83 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.965 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt -35.45 8.3 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 1.189 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -63.64 121.74 14.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 111.066 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -99.16 98.05 9.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.291 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.705 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.41 -169.73 15.6 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.524 1.14 . . . . 0.0 111.038 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -103.0 92.65 4.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 0.782 . . . . 0.0 110.29 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.687 HD13 ' CE2' ' A' ' 73' ' ' TYR . 0.2 OUTLIER -70.38 109.53 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.25 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.452 ' CA ' HH22 ' A' ' 67' ' ' ARG . 42.7 tpt85 -152.87 115.82 4.58 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 110.306 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.739 HG11 ' HG3' ' A' ' 54' ' ' GLU . 40.4 t -66.04 99.26 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.82 -48.46 6.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 1.153 ' CE2' HG11 ' A' ' 55' ' ' VAL . 28.5 p90 -128.19 87.73 2.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.702 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 77.5 p -72.28 109.27 5.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.576 1.172 . . . . 0.0 109.961 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.92 HG21 HD11 ' A' ' 81' ' ' LEU . 1.3 t -85.62 159.56 19.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 110.414 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.881 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 0.7 OUTLIER -101.82 136.86 40.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.645 ' CG1' HG21 ' A' ' 35' ' ' ILE . 1.7 t -70.72 121.72 21.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.783 HG23 ' H ' ' A' ' 34' ' ' SER . 11.1 t -76.06 178.84 6.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.425 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.493 ' HA ' ' HB2' ' A' ' 49' ' ' PRO . 12.1 t -80.31 -18.92 47.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.385 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.783 ' H ' HG23 ' A' ' 32' ' ' THR . 48.4 t -92.94 13.46 20.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.033 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.668 HG22 ' CA ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -70.79 171.58 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.854 HG23 ' CZ3' ' A' ' 40' ' ' TRP . 1.7 t -70.94 118.41 13.68 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.478 1.111 . . . . 0.0 110.385 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.93 -27.65 5.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.012 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.447 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 3.1 pttt -104.41 -48.33 3.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.561 ' O ' ' OG1' ' A' ' 36' ' ' THR . 0.0 OUTLIER -67.79 124.63 23.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.356 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.854 ' CZ3' HG23 ' A' ' 36' ' ' THR . 6.8 m95 -144.03 129.35 18.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 108.039 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.469 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -118.37 159.86 14.14 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.51 1.131 . . . . 0.0 110.979 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.7 t -56.61 -35.88 68.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 0.755 . . . . 0.0 110.423 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.676 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 11.1 mtm180 -96.31 7.12 47.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 110.313 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.469 ' CB ' ' H ' ' A' ' 41' ' ' GLY . 0.3 OUTLIER -104.19 163.23 12.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 1.033 HD23 ' CG1' ' A' ' 47' ' ' VAL . 7.4 tp -98.64 153.06 18.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.596 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 4.7 tt0 -88.45 30.76 0.86 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.557 1.161 . . . . 0.0 110.284 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 1.033 ' CG1' HD23 ' A' ' 45' ' ' LEU . 20.4 m -64.28 160.91 2.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.77 156.2 45.25 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.668 ' CA ' HG22 ' A' ' 35' ' ' ILE . 18.3 Cg_endo -75.02 124.88 8.94 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.517 1.798 . . . . 0.0 110.982 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 32' ' ' THR . . . 101.37 10.13 42.46 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.485 1.116 . . . . 0.0 110.969 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.597 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.4 OUTLIER -104.26 171.94 7.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 0.777 . . . . 0.0 110.259 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.8 p -108.72 131.75 54.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 110.009 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 1.097 HD23 ' O ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -141.14 152.24 44.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.289 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.739 ' HG3' HG11 ' A' ' 25' ' ' VAL . 1.4 mp0 -79.73 135.12 36.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.339 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 1.153 HG11 ' CE2' ' A' ' 27' ' ' TYR . 2.4 t -105.07 125.59 60.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.981 HG22 ' H ' ' A' ' 57' ' ' GLN . 4.2 mt -91.82 -136.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.981 ' H ' HG22 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -93.98 154.21 17.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 0.0 110.28 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.604 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 2.3 p -67.33 121.21 15.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 110.382 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.472 ' HB ' ' CG ' ' A' ' 63' ' ' LYS . 1.3 m -54.3 -75.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.412 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.445 ' OD2' ' N ' ' A' ' 61' ' ' ASP . 4.2 t70 -105.77 -91.56 0.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.445 ' N ' ' OD2' ' A' ' 60' ' ' ASP . 10.2 m-20 -117.37 -57.37 2.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.477 HG21 ' HD2' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -117.91 68.74 0.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.417 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.604 ' O ' ' HA ' ' A' ' 58' ' ' THR . 0.7 OUTLIER -155.17 130.12 9.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 109.281 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.649 HG22 HD22 ' A' ' 81' ' ' LEU . 34.8 m -119.47 129.59 75.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.655 ' CD2' HD12 ' A' ' 56' ' ' ILE . 0.4 OUTLIER -86.97 124.83 33.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.258 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.751 ' SG ' HD22 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -90.03 158.59 17.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 108.289 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.695 ' NH2' HG23 ' A' ' 25' ' ' VAL . 7.2 ttm180 -134.24 144.58 48.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.302 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.422 ' ND2' ' HB3' ' A' ' 70' ' ' GLU . 55.0 t30 -118.87 130.44 55.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.137 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -54.14 -16.62 2.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.321 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.422 ' HB3' ' ND2' ' A' ' 68' ' ' ASN . 28.9 tt0 -71.69 -5.52 34.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.296 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 87.77 15.34 61.61 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.526 1.141 . . . . 0.0 110.979 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 20.1 ttpt -117.27 123.61 47.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 0.751 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.687 ' CE2' HD13 ' A' ' 23' ' ' ILE . 5.1 m-85 -95.61 165.93 12.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 111.028 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.665 ' HA3' HD13 ' A' ' 45' ' ' LEU . . . -156.88 158.5 28.85 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.472 1.107 . . . . 0.0 110.963 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.853 ' CZ ' ' CE2' ' A' ' 17' ' ' PHE . 3.0 m-85 -104.6 152.3 22.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 0.744 . . . . 0.0 110.982 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.437 ' O ' ' CD ' ' A' ' 63' ' ' LYS . 2.4 t -142.66 125.79 14.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 77' ' ' LEU . 0.1 OUTLIER -78.4 141.93 37.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.602 ' HA ' HD23 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -57.33 -20.58 29.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.445 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -50.78 -60.11 3.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.961 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.756 ' CE1' ' CG2' ' A' ' 36' ' ' THR . 19.7 p90 -116.58 83.78 2.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 111.01 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.92 HD11 HG21 ' A' ' 29' ' ' THR . 0.1 OUTLIER -166.06 175.74 8.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.885 ' H ' HD12 ' A' ' 81' ' ' LEU . . . -78.76 173.12 12.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.328 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.934 ' CE1' ' CD2' ' A' ' 17' ' ' PHE . 23.7 t80 . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.47 0.176 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 -59.41 -29.72 67.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.304 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.85 -58.87 5.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.457 ' HG2' ' CD ' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -84.68 -33.66 23.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 1.196 ' O ' ' N ' ' A' ' 19' ' ' TYR . 23.1 m-85 -88.1 27.23 1.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -35.38 7.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 1.196 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -64.88 122.64 17.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 110.981 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -100.95 97.83 8.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.69 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.47 -169.85 15.75 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.535 1.147 . . . . 0.0 110.984 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 55.9 tt0 -102.23 92.74 4.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 0.764 . . . . 0.0 110.358 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.862 HG12 HD13 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -67.01 108.67 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -154.63 117.32 4.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.3 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.919 HG21 ' CG ' ' A' ' 54' ' ' GLU . 7.2 p -66.54 100.37 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -89.95 -49.4 6.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 1.151 ' CE2' HG11 ' A' ' 55' ' ' VAL . 30.2 p90 -126.94 86.63 2.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.965 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.703 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 56.0 p -72.02 109.96 6.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.009 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.871 HG21 HD11 ' A' ' 81' ' ' LEU . 2.1 t -86.71 161.35 18.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.413 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.864 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 4.0 tttm -98.86 136.75 38.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 109.347 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.686 HG23 ' O ' ' A' ' 51' ' ' GLU . 2.0 t -70.39 118.62 15.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.627 ' O ' ' HB ' ' A' ' 35' ' ' ILE . 92.4 m -74.55 137.07 42.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.401 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.573 ' O ' ' HB2' ' A' ' 49' ' ' PRO . 8.9 t -46.85 -14.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.405 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.504 ' N ' ' C ' ' A' ' 32' ' ' THR . 1.6 t -95.77 13.84 25.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.955 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.707 HG22 ' CA ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -70.87 173.45 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.9 HG23 ' CZ3' ' A' ' 40' ' ' TRP . 2.1 t -70.38 120.72 16.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.413 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.54 -27.72 5.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 109.961 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.433 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 1.2 pttt -104.09 -47.55 4.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.26 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.598 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -67.48 124.14 22.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.9 ' CZ3' HG23 ' A' ' 36' ' ' THR . 5.8 m95 -143.98 129.57 19.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 108.008 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.443 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -118.15 159.88 14.07 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.547 1.154 . . . . 0.0 111.002 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.9 t -56.93 -36.87 70.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.779 . . . . 0.0 110.39 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.634 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 5.2 mtm180 -96.33 7.06 47.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 110.279 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.443 ' CB ' ' H ' ' A' ' 41' ' ' GLY . 0.2 OUTLIER -104.03 162.73 12.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.253 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 1.07 HD23 ' CG1' ' A' ' 47' ' ' VAL . 7.8 tp -97.81 149.97 21.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.531 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 3.5 tt0 -88.2 31.2 0.81 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 110.278 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 1.07 ' CG1' HD23 ' A' ' 45' ' ' LEU . 29.3 m -64.12 161.16 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.128 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.65 154.85 43.78 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.707 ' CA ' HG22 ' A' ' 35' ' ' ILE . 18.2 Cg_endo -75.02 128.49 11.52 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.483 1.78 . . . . 0.0 110.966 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.19 12.61 41.82 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.452 1.095 . . . . 0.0 111.0 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.686 ' O ' HG23 ' A' ' 31' ' ' VAL . 1.7 mp0 -107.38 172.67 6.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 0.772 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.7 p -111.16 131.04 55.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.031 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 1.029 HD23 ' O ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -139.3 156.69 46.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.919 ' CG ' HG21 ' A' ' 25' ' ' VAL . 0.5 OUTLIER -81.79 133.12 35.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 110.305 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 1.151 HG11 ' CE2' ' A' ' 27' ' ' TYR . 2.3 t -103.46 126.54 57.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.985 HG22 ' H ' ' A' ' 57' ' ' GLN . 4.8 mt -92.15 -137.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.985 ' H ' HG22 ' A' ' 56' ' ' ILE . 29.9 mm-40 -94.59 155.03 17.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.304 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.62 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 6.6 p -67.53 122.48 18.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 110.425 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.48 ' HB ' ' CG ' ' A' ' 63' ' ' LYS . 1.3 m -55.34 -75.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.367 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.407 ' CG ' ' N ' ' A' ' 61' ' ' ASP . 4.7 t70 -105.72 -91.18 0.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.407 ' N ' ' CG ' ' A' ' 60' ' ' ASP . 6.6 m-20 -117.82 -57.05 2.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.42 HG22 ' CB ' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -117.52 68.3 0.75 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 110.415 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.62 ' O ' ' HA ' ' A' ' 58' ' ' THR . 0.1 OUTLIER -155.54 131.6 10.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 -179.918 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.71 ' O ' HG12 ' A' ' 76' ' ' VAL . 22.6 m -121.57 130.61 74.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.24 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.758 ' CD2' HD12 ' A' ' 56' ' ' ILE . 0.5 OUTLIER -87.81 124.47 33.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.573 1.171 . . . . 0.0 109.325 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.758 ' SG ' HD22 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -89.68 157.42 18.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 108.265 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.683 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 0.4 OUTLIER -134.67 145.83 48.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.319 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -118.63 130.77 56.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -54.2 -18.52 3.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.464 1.103 . . . . 0.0 110.261 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -73.23 -4.77 35.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 110.288 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 88.21 17.49 57.37 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.538 1.149 . . . . 0.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.2 ttpt -113.6 124.17 51.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 0.779 . . . . 0.0 109.33 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.8 ' CE2' HD13 ' A' ' 23' ' ' ILE . 6.3 m-85 -101.72 161.0 13.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.995 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.574 ' HA3' HD13 ' A' ' 45' ' ' LEU . . . -156.6 159.55 29.59 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.539 1.149 . . . . 0.0 110.97 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.869 ' CZ ' ' CE2' ' A' ' 17' ' ' PHE . 2.4 m-85 -104.06 150.16 24.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.71 HG12 ' O ' ' A' ' 64' ' ' VAL . 1.3 p -138.66 125.21 25.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.416 HD23 ' H ' ' A' ' 78' ' ' ARG . 0.1 OUTLIER -77.65 141.89 39.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.608 ' HA ' HD23 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -56.96 -21.33 29.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.165 . . . . 0.0 110.3 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.429 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 27.7 t -50.31 -59.75 3.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 109.94 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.767 ' CE1' ' CG2' ' A' ' 36' ' ' THR . 20.6 p90 -116.46 84.2 2.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 111.042 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.952 HD12 ' H ' ' A' ' 82' ' ' ALA . 0.1 OUTLIER -166.05 174.48 9.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.952 ' H ' HD12 ' A' ' 81' ' ' LEU . . . -83.16 173.7 11.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.552 ' OD1' ' N ' ' A' ' 83' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.968 ' CE2' ' CD2' ' A' ' 17' ' ' PHE . 1.6 t80 . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.517 0.199 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.448 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 13.2 ptm180 -60.47 -29.21 68.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.306 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.49 -58.71 6.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.412 ' HG2' ' HD3' ' A' ' 43' ' ' ARG . 1.1 tttt -84.84 -30.67 24.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 1.219 ' O ' ' N ' ' A' ' 19' ' ' TYR . 6.5 m-85 -87.21 29.4 0.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 111.013 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -34.64 6.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 1.219 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -65.03 122.01 16.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.969 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -100.67 98.02 8.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.27 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.694 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.49 -169.89 15.81 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.526 1.141 . . . . 0.0 110.957 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -102.01 91.83 4.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 0.74 . . . . 0.0 110.337 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.814 HD13 ' CE2' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -66.31 108.66 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.429 ' H ' HG23 ' A' ' 56' ' ' ILE . 0.2 OUTLIER -154.41 146.37 23.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.335 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.997 HG11 ' CG ' ' A' ' 54' ' ' GLU . 32.7 t -95.5 99.48 9.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -90.79 -48.7 6.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 1.153 ' CE2' HG11 ' A' ' 55' ' ' VAL . 30.0 p90 -126.6 87.43 2.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.993 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.714 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 43.0 p -71.08 111.73 6.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.98 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.697 HG22 ' CG2' ' A' ' 55' ' ' VAL . 1.3 t -90.99 161.1 15.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 110.409 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.748 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 1.4 ttmm -99.86 138.17 37.31 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.705 HG23 ' O ' ' A' ' 51' ' ' GLU . 1.7 t -71.2 121.51 21.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.885 HG22 ' H ' ' A' ' 34' ' ' SER . 1.3 m -74.7 134.93 41.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.397 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.544 ' O ' ' HB2' ' A' ' 49' ' ' PRO . 8.8 t -46.13 -15.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.408 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.885 ' H ' HG22 ' A' ' 32' ' ' THR . 1.4 p -95.68 13.4 26.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.978 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.714 HG22 ' CA ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -71.08 172.92 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.942 HG23 ' CZ3' ' A' ' 40' ' ' TRP . 2.2 t -70.52 121.95 18.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.409 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.458 ' HB3' ' CD ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER -118.58 -27.76 5.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.948 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.431 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 5.3 ptpt -104.68 -47.5 4.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.35 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.589 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -67.7 125.08 25.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.942 ' CZ3' HG23 ' A' ' 36' ' ' THR . 5.7 m95 -144.05 134.37 24.49 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.508 ' H ' ' HB3' ' A' ' 44' ' ' ASP . . . -118.96 158.67 14.76 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.5 t -58.38 -36.55 73.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 110.46 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.625 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 1.1 mtm-85 -95.0 6.81 48.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.1 . . . . 0.0 110.316 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.508 ' HB3' ' H ' ' A' ' 41' ' ' GLY . 0.0 OUTLIER -105.79 163.36 12.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.908 HD13 ' HA3' ' A' ' 74' ' ' GLY . 4.0 tp -97.74 155.1 17.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.342 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.555 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 5.6 tt0 -88.26 33.09 0.74 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.557 1.161 . . . . 0.0 110.328 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.809 ' O ' ' CH2' ' A' ' 40' ' ' TRP . 27.6 m -62.92 161.5 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.87 152.96 48.07 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.316 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.714 ' CA ' HG22 ' A' ' 35' ' ' ILE . 18.3 Cg_endo -75.03 131.42 14.23 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.512 1.796 . . . . 0.0 110.98 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 95.29 9.81 57.66 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.446 1.091 . . . . 0.0 111.003 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.705 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -104.52 172.29 6.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 0.791 . . . . 0.0 110.307 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -113.34 129.86 56.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.026 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 1.059 HD23 ' O ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -140.42 157.09 46.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 0.0 109.341 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.997 ' CG ' HG11 ' A' ' 25' ' ' VAL . 0.4 OUTLIER -79.46 134.68 36.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.119 . . . . 0.0 110.273 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 1.153 HG11 ' CE2' ' A' ' 27' ' ' TYR . 2.3 t -103.28 126.65 57.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.997 HG22 ' H ' ' A' ' 57' ' ' GLN . 7.7 mt -93.21 -137.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.997 ' H ' HG22 ' A' ' 56' ' ' ILE . 13.2 tt0 -94.77 154.05 17.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.282 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.611 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 3.3 p -66.66 121.38 15.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.398 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.517 ' OG1' ' CE1' ' A' ' 75' ' ' TYR . 1.3 m -54.42 -75.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.395 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.427 ' CG ' ' N ' ' A' ' 61' ' ' ASP . 3.7 t70 -105.59 -91.25 0.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.163 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.427 ' N ' ' CG ' ' A' ' 60' ' ' ASP . 61.9 m-20 -117.68 -57.43 2.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.626 HG22 ' CB ' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -117.37 69.07 0.76 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 110.373 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.611 ' O ' ' HA ' ' A' ' 58' ' ' THR . 1.9 tppt? -156.38 130.35 8.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 1.001 ' O ' HG12 ' A' ' 76' ' ' VAL . 31.9 m -118.91 132.05 69.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.982 HD12 ' O ' ' A' ' 74' ' ' GLY . 16.1 tp -88.11 127.31 35.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.606 ' HB2' HD11 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -91.16 155.82 18.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 108.309 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.677 ' HG3' ' CD2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -137.9 136.56 37.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.283 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.605 ' ND2' HD21 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -121.98 142.47 50.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 109.329 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.14 -13.57 0.87 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 110.256 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.413 ' N ' ' C ' ' A' ' 68' ' ' ASN . 2.0 tp10 -64.92 -7.24 10.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 85.0 -0.18 89.06 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.538 1.149 . . . . 0.0 110.988 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.48 ' HE3' HD11 ' A' ' 45' ' ' LEU . 3.4 ttpt -103.46 156.76 17.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 0.766 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.814 ' CE2' HD13 ' A' ' 23' ' ' ILE . 2.3 m-85 -124.99 165.74 17.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 110.968 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.982 ' O ' HD12 ' A' ' 65' ' ' LEU . . . -155.52 159.04 28.92 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.49 1.119 . . . . 0.0 110.979 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.855 ' CE2' ' CE2' ' A' ' 17' ' ' PHE . 3.5 m-85 -104.37 152.92 21.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 0.776 . . . . 0.0 111.03 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 1.001 HG12 ' O ' ' A' ' 64' ' ' VAL . 11.8 p -138.94 125.96 25.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.34 140.32 41.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.626 ' CB ' HG22 ' A' ' 62' ' ' THR . 0.0 OUTLIER -57.8 -20.72 37.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 110.319 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.463 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 12.2 t -50.78 -59.69 3.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.0 110.0 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.729 ' CE1' ' CG2' ' A' ' 36' ' ' THR . 10.6 p90 -117.04 83.57 2.0 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 111.017 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.814 HD12 ' H ' ' A' ' 82' ' ' ALA . 0.1 OUTLIER -166.01 174.72 9.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.814 ' H ' HD12 ' A' ' 81' ' ' LEU . . . -77.52 173.29 12.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.887 ' CE2' ' CD2' ' A' ' 17' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.478 0.18 . . . . 0.0 111.022 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.576 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 1.8 ttm180 -58.48 -36.65 74.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 110.335 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.457 ' HD3' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -51.09 -56.87 10.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.457 ' N ' ' HD3' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -83.29 -33.88 25.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 109.303 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 1.191 ' O ' ' N ' ' A' ' 19' ' ' TYR . 11.2 m-85 -87.68 29.5 0.89 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.985 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -34.85 7.1 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 1.191 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -64.79 122.13 16.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 111.023 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -99.54 98.13 9.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.692 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.64 -170.05 16.05 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.565 1.166 . . . . 0.0 110.956 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -100.44 92.49 5.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 0.781 . . . . 0.0 110.285 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.936 HD13 ' CE2' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -69.3 108.18 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.265 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.427 ' NH1' ' HB2' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -154.4 117.61 4.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.984 HG11 ' OE2' ' A' ' 54' ' ' GLU . 7.5 p -65.91 100.4 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.405 ' HA ' HD23 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -89.87 -49.59 6.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 1.117 ' CE2' HG11 ' A' ' 55' ' ' VAL . 36.6 p90 -128.15 87.12 2.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 111.032 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.739 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 64.3 p -73.01 110.53 7.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 109.976 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' THR . . . . . 1.067 HG21 HD21 ' A' ' 81' ' ' LEU . 1.3 t -86.08 160.74 19.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.394 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.608 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 0.6 OUTLIER -100.79 136.85 39.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.659 ' CG1' HD12 ' A' ' 35' ' ' ILE . 1.6 t -72.8 129.54 35.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.52 ' O ' ' N ' ' A' ' 50' ' ' GLY . 3.3 t -81.23 178.68 8.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.374 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.489 ' HA ' ' HB2' ' A' ' 49' ' ' PRO . 4.2 t -81.26 -16.19 53.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 110.4 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.9 t -97.46 14.07 27.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 0.0 109.99 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.689 HG22 ' CA ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -70.22 171.72 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 109.315 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.889 HG23 ' CZ3' ' A' ' 40' ' ' TRP . 3.4 t -69.05 117.7 11.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 110.365 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.408 ' HB3' ' HD3' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -118.52 -27.99 5.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.974 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.43 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 5.4 ptpp? -103.4 -47.69 4.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.565 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -67.78 123.8 21.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.137 . . . . 0.0 109.295 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.889 ' CZ3' HG23 ' A' ' 36' ' ' THR . 7.1 m95 -143.74 129.65 19.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 108.022 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.447 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -118.63 158.96 14.57 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.567 1.167 . . . . 0.0 111.02 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.3 t -56.46 -34.47 66.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.544 0.79 . . . . 0.0 110.429 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.634 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 6.9 mtm180 -96.67 6.11 49.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.13 . . . . 0.0 110.298 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.447 ' CB ' ' H ' ' A' ' 41' ' ' GLY . 0.2 OUTLIER -104.65 162.68 13.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.329 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.86 HD23 ' CG1' ' A' ' 47' ' ' VAL . 6.2 tp -98.03 154.54 17.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.609 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 5.6 tt0 -88.98 31.64 0.85 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 110.344 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.86 ' CG1' HD23 ' A' ' 45' ' ' LEU . 21.5 m -64.3 160.97 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.133 . . . . 0.0 109.313 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.54 156.68 45.73 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.689 ' CA ' HG22 ' A' ' 35' ' ' ILE . 18.3 Cg_endo -74.98 125.48 9.36 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.528 1.804 . . . . 0.0 111.023 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 32' ' ' THR . . . 100.52 13.91 33.99 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.646 ' O ' HG23 ' A' ' 31' ' ' VAL . 3.3 tt0 -109.66 172.41 6.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 0.778 . . . . 0.0 110.279 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -109.95 131.67 54.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.976 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 1.064 HD23 ' O ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -139.83 152.94 46.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.268 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.984 ' OE2' HG11 ' A' ' 25' ' ' VAL . 3.8 mt-10 -79.22 132.88 36.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.115 . . . . 0.0 110.329 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 1.117 HG11 ' CE2' ' A' ' 27' ' ' TYR . 2.5 t -104.24 127.13 58.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.342 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.985 HG22 ' H ' ' A' ' 57' ' ' GLN . 5.2 mt -92.78 -137.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.985 ' H ' HG22 ' A' ' 56' ' ' ILE . 29.2 mm100 -94.27 154.97 17.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.282 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.614 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 4.5 p -67.27 121.26 15.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 110.374 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.474 ' HB ' ' HB3' ' A' ' 63' ' ' LYS . 1.2 m -54.01 -75.35 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.093 . . . . 0.0 110.42 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.417 ' CG ' ' N ' ' A' ' 61' ' ' ASP . 4.1 t0 -105.56 -91.61 0.39 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.417 ' N ' ' CG ' ' A' ' 60' ' ' ASP . 0.5 OUTLIER -117.35 -57.39 2.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.474 HG21 ' CD ' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -117.67 68.87 0.76 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 110.415 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.614 ' O ' ' HA ' ' A' ' 58' ' ' THR . 2.5 tppp? -154.83 130.03 9.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.357 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.564 HG12 ' OH ' ' A' ' 27' ' ' TYR . 8.0 m -120.21 127.37 75.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.806 ' CD2' HD12 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -87.61 129.17 35.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.785 ' SG ' HD22 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -90.76 157.6 17.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 108.299 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.733 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -134.57 145.26 48.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 110.32 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -119.02 133.65 55.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 33.8 tp10 -54.37 -18.06 3.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.303 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -76.66 -4.34 42.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.312 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 88.61 11.61 65.8 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.511 1.132 . . . . 0.0 110.967 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.3 ttpt -102.25 123.45 46.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 0.757 . . . . 0.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.936 ' CE2' HD13 ' A' ' 23' ' ' ILE . 4.8 m-85 -105.86 160.07 15.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.468 ' HA3' HD13 ' A' ' 45' ' ' LEU . . . -157.0 159.33 29.55 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.889 ' CZ ' ' CE2' ' A' ' 17' ' ' PHE . 2.8 m-85 -102.53 153.19 20.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 0.743 . . . . 0.0 111.064 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.454 ' O ' ' CD ' ' A' ' 63' ' ' LYS . 2.2 t -142.42 124.97 13.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.461 HD23 ' H ' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -74.21 143.14 45.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 109.328 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.474 ' CD ' HG21 ' A' ' 62' ' ' THR . 0.0 OUTLIER -56.58 -21.07 24.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.142 . . . . 0.0 110.316 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.411 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 11.6 t -49.7 -59.42 3.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.034 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.723 ' CE1' ' CG2' ' A' ' 36' ' ' THR . 18.8 p90 -116.31 80.36 1.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 111.013 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 1.147 HD22 ' N ' ' A' ' 82' ' ' ALA . 0.3 OUTLIER -166.68 142.37 4.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 109.296 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 1.147 ' N ' HD22 ' A' ' 81' ' ' LEU . . . -53.46 168.07 0.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.974 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.918 ' CE2' ' CD2' ' A' ' 17' ' ' PHE . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.498 0.189 . . . . 0.0 110.981 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.527 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 1.7 ttp-105 -59.62 -28.34 67.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.61 -59.16 5.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.474 ' CG ' ' HD3' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -85.05 -29.81 24.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 1.195 ' O ' ' N ' ' A' ' 19' ' ' TYR . 9.5 m-85 -88.02 29.54 0.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 111.033 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -34.96 6.91 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 1.195 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -65.36 122.73 17.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.971 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -101.58 98.02 8.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.683 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.47 -170.32 16.22 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -100.55 92.67 5.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 0.769 . . . . 0.0 110.255 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.883 HG12 HD13 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -70.74 108.54 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -154.56 121.24 5.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 110.325 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 1.097 HG21 ' CG ' ' A' ' 54' ' ' GLU . 3.6 p -66.61 99.55 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.29 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.08 -48.0 7.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 1.021 ' CE2' HG11 ' A' ' 55' ' ' VAL . 37.5 p90 -126.45 88.51 2.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.67 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 13.5 t -73.65 109.67 7.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 109.982 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.775 HG21 HD21 ' A' ' 81' ' ' LEU . 0.7 OUTLIER -93.68 161.37 14.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.405 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.792 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 0.1 OUTLIER -101.93 139.24 37.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 51' ' ' GLU . 1.5 t -71.91 139.51 19.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.842 HG22 ' H ' ' A' ' 34' ' ' SER . 1.2 m -84.43 133.1 34.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.391 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.551 ' O ' ' HB2' ' A' ' 49' ' ' PRO . 5.9 t -47.53 -11.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.373 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.842 ' H ' HG22 ' A' ' 32' ' ' THR . 0.1 OUTLIER -104.15 15.5 28.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 110.043 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.743 HG22 ' CA ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -70.02 173.88 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.901 HG23 ' CZ3' ' A' ' 40' ' ' TRP . 5.4 t -68.61 119.63 13.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.401 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.468 ' OG ' ' HG3' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -116.31 -26.89 7.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.013 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.451 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -103.26 -49.07 3.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.326 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.478 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -66.69 124.89 24.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.901 ' CZ3' HG23 ' A' ' 36' ' ' THR . 8.1 m95 -144.25 140.03 29.0 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.455 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -119.65 160.81 14.37 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.477 1.111 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.3 m -58.17 -37.11 74.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 0.762 . . . . 0.0 110.382 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.63 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 1.2 mtm180 -98.12 9.72 42.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.245 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.455 ' CB ' ' H ' ' A' ' 41' ' ' GLY . 0.4 OUTLIER -101.97 162.62 12.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 109.332 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.882 HD23 ' CG1' ' A' ' 47' ' ' VAL . 6.7 tp -98.13 154.7 17.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.57 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 5.6 tt0 -88.92 32.74 0.8 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.281 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.882 ' CG1' HD23 ' A' ' 45' ' ' LEU . 22.1 m -64.04 153.06 7.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.54 156.43 35.9 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.276 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.743 ' CA ' HG22 ' A' ' 35' ' ' ILE . 18.2 Cg_endo -74.97 127.89 11.07 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.489 1.784 . . . . 0.0 110.972 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 97.55 12.19 48.63 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.681 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -99.66 171.74 7.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 0.757 . . . . 0.0 110.285 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.3 p -131.73 126.32 34.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 110.031 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.932 HD21 ' HB3' ' A' ' 66' ' ' CYS . 0.0 OUTLIER -140.95 170.12 16.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 1.097 ' CG ' HG21 ' A' ' 25' ' ' VAL . 0.4 OUTLIER -77.01 132.2 38.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 110.285 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 1.021 HG11 ' CE2' ' A' ' 27' ' ' TYR . 2.1 t -103.53 132.76 49.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.965 HG22 ' H ' ' A' ' 57' ' ' GLN . 5.0 mt -91.62 -140.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.965 ' H ' HG22 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -96.77 157.57 15.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.276 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.656 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 8.1 p -67.91 127.98 34.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.087 . . . . 0.0 110.401 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.714 HG21 ' HD3' ' A' ' 63' ' ' LYS . 2.4 m -58.55 -75.63 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.388 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.407 ' CG ' ' N ' ' A' ' 61' ' ' ASP . 5.5 t0 -105.65 -92.15 0.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.407 ' N ' ' CG ' ' A' ' 60' ' ' ASP . 45.8 m-20 -117.91 -56.56 2.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.797 HG22 ' CB ' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -115.02 67.09 0.69 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.421 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.714 ' HD3' HG21 ' A' ' 59' ' ' THR . 18.4 tttp -158.69 131.15 6.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.424 1.077 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 1.034 ' O ' HG12 ' A' ' 76' ' ' VAL . 6.0 m -123.21 130.65 74.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.82 HD12 ' O ' ' A' ' 74' ' ' GLY . 12.3 tp -88.13 119.25 28.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.932 ' HB3' HD21 ' A' ' 53' ' ' LEU . 63.0 m -97.26 157.99 15.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.421 1.076 . . . . 0.0 108.272 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.661 ' HG3' ' CD2' ' A' ' 73' ' ' TYR . 3.5 ttp180 -134.4 144.86 48.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.262 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.624 ' OD1' HD21 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -119.08 140.56 49.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -54.92 -14.4 1.45 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.439 1.087 . . . . 0.0 110.274 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -59.12 -9.65 2.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.543 1.152 . . . . 0.0 110.303 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.13 15.02 65.57 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.494 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 5.0 tttt -122.86 156.03 35.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 0.79 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.805 ' CE2' HD13 ' A' ' 23' ' ' ILE . 26.6 m-85 -114.88 160.57 19.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 110.98 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.82 ' O ' HD12 ' A' ' 65' ' ' LEU . . . -156.26 158.86 28.98 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.509 1.131 . . . . 0.0 111.023 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.887 ' CD2' ' CZ ' ' A' ' 17' ' ' PHE . 2.4 m-85 -104.96 151.81 23.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 0.76 . . . . 0.0 110.983 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 1.034 HG12 ' O ' ' A' ' 64' ' ' VAL . 10.6 p -134.9 125.38 45.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 109.269 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.449 HD23 ' H ' ' A' ' 78' ' ' ARG . 0.1 OUTLIER -74.69 143.55 44.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.267 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.797 ' CB ' HG22 ' A' ' 62' ' ' THR . 0.0 OUTLIER -56.98 -23.48 46.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.277 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.6 t -50.04 -59.13 4.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.979 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.795 ' CE1' HG21 ' A' ' 36' ' ' THR . 8.5 p90 -117.37 80.29 1.47 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 1.166 HD22 ' N ' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -164.34 140.78 6.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.322 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 1.166 ' N ' HD22 ' A' ' 81' ' ' LEU . . . -55.08 171.77 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 0.0 109.328 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.18 -18.33 63.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -68.83 -27.77 66.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.309 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -62.49 -33.67 75.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.346 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.5 mptt -69.65 -31.59 69.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -68.92 -45.25 71.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.336 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.882 ' CE2' ' CD2' ' A' ' 17' ' ' PHE . 0.8 OUTLIER -69.04 -52.62 26.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.471 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 18.9 ttm180 -59.99 -28.16 67.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.288 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.48 ' CE ' ' HB2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -54.58 -59.49 4.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.489 ' HG2' ' CD ' ' A' ' 43' ' ' ARG . 29.8 tptt -85.13 -31.16 23.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 1.197 ' O ' ' N ' ' A' ' 19' ' ' TYR . 7.8 m-85 -87.58 29.69 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 110.979 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -35.53 7.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 1.197 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -64.07 122.43 16.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.979 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -101.51 98.11 8.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.687 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.43 -169.83 15.71 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -102.2 91.83 4.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 0.727 . . . . 0.0 110.291 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.886 HD13 ' CE2' ' A' ' 73' ' ' TYR . 0.3 OUTLIER -68.46 108.75 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.262 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -154.19 116.02 4.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.304 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 1.115 HG21 ' CG ' ' A' ' 54' ' ' GLU . 3.7 p -66.31 99.46 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.41 -47.52 7.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 1.102 ' CE2' HG11 ' A' ' 55' ' ' VAL . 31.9 p90 -125.81 88.59 2.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.983 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.682 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 96.8 p -71.83 111.2 6.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.983 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.841 HG21 HD11 ' A' ' 81' ' ' LEU . 1.6 t -90.36 161.14 15.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.381 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.841 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 6.6 mtpt -100.27 138.12 37.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 51' ' ' GLU . 2.1 t -71.26 118.01 15.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.853 HG22 ' H ' ' A' ' 34' ' ' SER . 1.3 m -74.68 134.35 41.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 110.352 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.551 ' O ' ' HB2' ' A' ' 49' ' ' PRO . 8.8 t -43.51 -19.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.414 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.853 ' H ' HG22 ' A' ' 32' ' ' THR . 1.5 p -89.93 14.01 13.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.022 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.677 HG12 ' O ' ' A' ' 80' ' ' TYR . 0.0 OUTLIER -71.24 173.37 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.876 HG23 ' CZ3' ' A' ' 40' ' ' TRP . 1.9 t -70.74 119.8 15.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 110.385 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.75 -27.48 5.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 109.993 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.434 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 4.7 ptpp? -104.37 -47.67 4.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.598 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -67.41 124.54 23.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.876 ' CZ3' HG23 ' A' ' 36' ' ' THR . 6.1 m95 -144.4 128.24 17.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 107.999 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.461 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -118.17 159.75 14.13 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.538 1.149 . . . . 0.0 110.954 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.8 t -56.79 -36.03 69.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 0.768 . . . . 0.0 110.408 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.697 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 5.6 mtm105 -96.66 7.2 47.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 110.293 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.461 ' CB ' ' H ' ' A' ' 41' ' ' GLY . 0.3 OUTLIER -103.97 163.05 12.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 0.0 109.247 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 1.033 HD23 ' CG1' ' A' ' 47' ' ' VAL . 7.7 tp -97.53 149.7 21.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.593 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 5.2 tt0 -88.07 31.28 0.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.278 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 1.033 ' CG1' HD23 ' A' ' 45' ' ' LEU . 16.4 m -64.62 161.07 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.112 . . . . 0.0 109.278 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.411 ' HE2' ' N ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -112.46 156.22 42.57 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.67 ' CA ' HG22 ' A' ' 35' ' ' ILE . 18.3 Cg_endo -75.04 130.34 13.14 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.535 1.808 . . . . 0.0 110.998 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.54 10.54 47.14 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.459 1.1 . . . . 0.0 111.026 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.636 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.7 OUTLIER -102.8 171.79 7.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 0.753 . . . . 0.0 110.296 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 26.9 t -126.76 129.93 49.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.995 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.79 HD23 ' HB3' ' A' ' 66' ' ' CYS . 32.9 tp -140.26 165.25 27.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 1.115 ' CG ' HG21 ' A' ' 25' ' ' VAL . 0.6 OUTLIER -78.13 133.69 37.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.326 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 1.102 HG11 ' CE2' ' A' ' 27' ' ' TYR . 2.1 t -102.65 128.21 55.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.971 HG22 ' H ' ' A' ' 57' ' ' GLN . 3.5 mt -91.46 -138.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.971 ' H ' HG22 ' A' ' 56' ' ' ILE . 27.0 mm100 -94.49 156.56 16.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.326 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.689 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 7.1 p -67.36 122.44 17.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 110.433 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.535 ' HB ' ' HB3' ' A' ' 63' ' ' LYS . 1.1 m -54.24 -74.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.416 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.415 ' N ' HG22 ' A' ' 59' ' ' THR . 1.6 m-20 -104.64 -91.58 0.38 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -117.59 -57.35 2.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.319 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.481 ' O ' ' HB3' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -117.84 69.98 0.79 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.413 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.689 ' O ' ' HA ' ' A' ' 58' ' ' THR . 4.9 tttt -156.94 130.77 8.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.683 HG22 HD22 ' A' ' 81' ' ' LEU . 4.1 m -120.8 127.37 75.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.924 HD12 ' O ' ' A' ' 74' ' ' GLY . 0.7 OUTLIER -89.0 121.81 31.73 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.447 1.092 . . . . 0.0 109.318 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.79 ' HB3' HD23 ' A' ' 53' ' ' LEU . 21.8 m -91.43 155.47 18.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 108.356 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.772 ' O ' HD11 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -135.25 140.18 45.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 110.276 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.418 ' C ' ' N ' ' A' ' 70' ' ' GLU . 0.3 OUTLIER -120.74 140.99 50.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.24 -12.35 0.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.276 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.418 ' N ' ' C ' ' A' ' 68' ' ' ASN . 2.0 tp10 -59.29 -11.31 3.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.42 13.92 67.06 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.547 1.154 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.446 ' HG2' ' N ' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -124.77 147.76 48.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 0.761 . . . . 0.0 109.282 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.886 ' CE2' HD13 ' A' ' 23' ' ' ILE . 10.0 m-85 -111.08 167.15 10.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.568 1.168 . . . . 0.0 110.995 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.924 ' O ' HD12 ' A' ' 65' ' ' LEU . . . -157.72 158.41 29.03 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.516 1.135 . . . . 0.0 110.972 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.893 ' CZ ' ' CE2' ' A' ' 17' ' ' PHE . 1.9 m-85 -105.42 153.93 21.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 0.778 . . . . 0.0 110.978 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.749 HG21 ' SG ' ' A' ' 66' ' ' CYS . 2.4 t -142.65 126.31 14.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.539 HD22 ' CD ' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -80.48 143.81 33.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.539 ' CD ' HD22 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -57.6 -22.14 43.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.56 -58.75 4.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.021 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.753 ' CE1' ' CG2' ' A' ' 36' ' ' THR . 20.1 p90 -117.88 83.79 2.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 0.0 111.003 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.871 HD12 ' H ' ' A' ' 82' ' ' ALA . 0.1 OUTLIER -165.91 173.6 10.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.871 ' H ' HD12 ' A' ' 81' ' ' LEU . . . -80.46 174.62 11.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.7 tmtm? -63.84 -13.75 47.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.453 ' HG2' ' CG ' ' A' ' 72' ' ' LYS . 0.1 OUTLIER -66.24 -32.35 73.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.289 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -61.99 -39.3 91.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.306 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.77 -31.17 67.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.425 ' O ' ' HB3' ' A' ' 15' ' ' LYS . 0.1 OUTLIER -73.2 -32.6 64.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.262 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.986 ' CE1' ' CD2' ' A' ' 17' ' ' PHE . 13.9 t80 -64.36 -51.71 61.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.987 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.9 ptt85 -59.82 -30.31 68.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 110.323 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.425 ' HB3' ' O ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -54.53 -58.6 6.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.254 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.49 ' CG ' ' HD3' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -84.25 -34.12 23.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 1.177 ' O ' ' N ' ' A' ' 19' ' ' TYR . 10.7 m-85 -87.96 27.63 1.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -36.01 8.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.346 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 1.177 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -63.75 122.12 15.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.115 . . . . 0.0 111.003 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -100.74 98.33 8.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.692 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.15 -169.68 15.4 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -100.87 91.95 4.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 0.745 . . . . 0.0 110.311 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.936 HD13 ' CE2' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -68.58 108.43 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -154.85 119.3 4.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.28 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 1.069 HG21 ' CG ' ' A' ' 54' ' ' GLU . 7.4 p -66.81 100.33 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -90.41 -49.19 6.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.234 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 1.098 ' CE2' HG11 ' A' ' 55' ' ' VAL . 30.6 p90 -126.67 88.28 2.8 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.513 1.133 . . . . 0.0 111.048 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.699 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 78.8 p -72.09 111.4 7.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.991 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.807 HG21 HD11 ' A' ' 81' ' ' LEU . 1.7 t -91.59 161.31 14.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.412 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.839 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -100.06 138.66 36.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 51' ' ' GLU . 2.0 t -71.51 123.88 26.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.86 HG22 ' H ' ' A' ' 34' ' ' SER . 1.3 m -78.19 134.46 37.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.358 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.563 ' O ' ' HB2' ' A' ' 49' ' ' PRO . 14.5 t -44.57 -17.85 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 110.427 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.86 ' H ' HG22 ' A' ' 32' ' ' THR . 0.1 OUTLIER -93.4 14.0 19.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.999 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.683 HG22 ' CA ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -70.66 173.57 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.87 HG23 ' CZ3' ' A' ' 40' ' ' TRP . 2.0 t -70.16 119.14 13.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 110.394 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.442 ' HB3' ' CD ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -118.29 -26.93 6.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.999 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.43 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 4.5 ptpt -104.6 -47.45 4.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.607 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -67.62 124.54 23.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.335 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.87 ' CZ3' HG23 ' A' ' 36' ' ' THR . 5.8 m95 -144.6 125.23 14.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 108.02 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.476 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -116.16 160.1 13.54 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.501 1.126 . . . . 0.0 111.046 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.7 t -56.5 -36.25 68.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 0.743 . . . . 0.0 110.406 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.675 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 5.1 mtm180 -95.72 6.9 47.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.341 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.489 ' OD1' ' O ' ' A' ' 75' ' ' TYR . 0.4 OUTLIER -104.58 161.8 13.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 1.014 HD23 ' CG1' ' A' ' 47' ' ' VAL . 7.1 tp -97.24 151.43 19.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.575 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 5.5 tt0 -88.05 30.78 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.323 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 1.014 ' CG1' HD23 ' A' ' 45' ' ' LEU . 17.9 m -64.57 160.35 3.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.427 1.079 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.63 154.97 44.55 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.683 ' CA ' HG22 ' A' ' 35' ' ' ILE . 18.4 Cg_endo -75.0 130.49 13.32 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.523 1.801 . . . . 0.0 111.01 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.22 10.48 48.33 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.469 1.106 . . . . 0.0 110.998 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.67 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.4 OUTLIER -104.33 172.27 6.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.571 0.806 . . . . 0.0 110.334 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.05 129.41 50.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.984 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.796 HD11 ' O ' ' A' ' 67' ' ' ARG . 29.1 tp -139.73 164.13 30.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 1.069 ' CG ' HG21 ' A' ' 25' ' ' VAL . 0.6 OUTLIER -77.72 132.75 38.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.303 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 1.098 HG11 ' CE2' ' A' ' 27' ' ' TYR . 2.1 t -102.23 129.54 53.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.959 HG22 ' H ' ' A' ' 57' ' ' GLN . 3.6 mt -91.97 -137.91 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.959 ' H ' HG22 ' A' ' 56' ' ' ILE . 13.2 tt0 -95.02 156.69 16.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 110.276 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.702 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 7.6 p -67.55 122.8 18.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.39 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.519 ' HB ' ' HB3' ' A' ' 63' ' ' LYS . 1.1 m -54.67 -74.1 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.12 . . . . 0.0 110.388 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.445 ' N ' HG22 ' A' ' 59' ' ' THR . 6.7 t0 -104.58 -92.01 0.37 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.426 ' N ' ' CG ' ' A' ' 60' ' ' ASP . 33.5 m-20 -117.97 -56.68 2.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.558 HG21 ' HD3' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -117.56 69.44 0.77 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.409 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.702 ' O ' ' HA ' ' A' ' 58' ' ' THR . 4.1 tttt -157.29 131.12 8.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.667 HG22 HD22 ' A' ' 81' ' ' LEU . 2.9 m -122.15 127.39 75.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 109.349 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.826 HD21 HD12 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -89.19 123.58 33.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.767 ' SG ' HG21 ' A' ' 76' ' ' VAL . 35.0 m -89.34 158.27 17.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 108.321 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.796 ' O ' HD11 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -133.66 145.47 49.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.498 ' OD1' HD21 ' A' ' 45' ' ' LEU . 4.9 m120 -111.34 136.37 50.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.81 -18.74 5.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 110.292 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -77.16 -4.25 43.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 87.98 21.44 46.2 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.49 1.119 . . . . 0.0 110.982 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.453 ' CG ' ' HG2' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -106.28 123.87 48.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 0.732 . . . . 0.0 109.312 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.936 ' CE2' HD13 ' A' ' 23' ' ' ILE . 15.4 m-85 -106.64 154.63 20.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 111.006 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.836 ' HA3' HD13 ' A' ' 45' ' ' LEU . . . -157.1 160.5 30.48 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.511 1.132 . . . . 0.0 111.028 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.889 ' CZ ' ' CE2' ' A' ' 17' ' ' PHE . 3.1 m-85 -102.75 154.37 19.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 0.76 . . . . 0.0 111.006 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.767 HG21 ' SG ' ' A' ' 66' ' ' CYS . 2.6 t -142.74 125.54 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.456 ' CA ' ' HZ2' ' A' ' 63' ' ' LYS . 0.2 OUTLIER -78.33 143.31 37.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.558 ' HD3' HG21 ' A' ' 62' ' ' THR . 0.0 OUTLIER -57.7 -21.53 41.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.335 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.46 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 14.4 t -49.99 -59.26 4.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 0.0 109.976 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.738 ' CE1' ' CG2' ' A' ' 36' ' ' THR . 19.8 p90 -117.76 83.62 2.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 111.011 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.892 HD12 ' H ' ' A' ' 82' ' ' ALA . 0.2 OUTLIER -165.41 172.89 11.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.892 ' H ' HD12 ' A' ' 81' ' ' LEU . . . -79.87 174.4 11.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.095 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.96 -12.76 57.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.332 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.421 ' OE1' ' O ' ' A' ' 70' ' ' GLU . 16.6 pt-20 -61.87 -42.99 99.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.556 1.16 . . . . 0.0 110.297 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -70.88 -37.55 73.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 110.289 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.8 mmtp -70.66 -36.86 73.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.253 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -60.34 -44.3 95.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.82 ' CE2' ' CD2' ' A' ' 17' ' ' PHE . 0.4 OUTLIER -68.47 -50.95 48.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.98 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.461 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -59.9 -29.34 68.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.401 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -54.3 -59.34 4.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.443 ' CG ' ' HD3' ' A' ' 43' ' ' ARG . 4.2 tptp -83.97 -32.84 24.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 1.202 ' O ' ' N ' ' A' ' 19' ' ' TYR . 9.9 m-85 -87.95 29.62 0.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.968 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -35.04 7.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.259 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 1.202 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -64.34 122.21 16.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 111.002 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -100.71 98.06 8.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.685 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.55 -169.55 15.51 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.507 1.129 . . . . 0.0 110.976 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -102.66 92.74 4.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 0.774 . . . . 0.0 110.264 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.861 HG12 HD13 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -65.61 107.93 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -155.11 116.59 4.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.336 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 1.11 HG21 ' CG ' ' A' ' 54' ' ' GLU . 6.4 p -65.82 99.59 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -90.95 -48.15 7.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 1.087 ' CE2' HG11 ' A' ' 55' ' ' VAL . 37.4 p90 -126.51 87.76 2.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.99 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.711 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 74.0 p -72.23 110.51 6.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.999 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.909 ' OG1' ' HB3' ' A' ' 82' ' ' ALA . 2.0 t -85.48 159.73 19.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 110.385 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.787 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 0.5 OUTLIER -102.26 135.6 43.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 109.329 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.681 ' CG1' HD12 ' A' ' 35' ' ' ILE . 1.8 t -75.73 123.04 30.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.815 HG23 ' H ' ' A' ' 34' ' ' SER . 13.6 t -76.68 178.34 6.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.396 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.463 ' HA ' ' HB2' ' A' ' 49' ' ' PRO . 3.8 t -80.94 -14.92 57.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.401 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.815 ' H ' HG23 ' A' ' 32' ' ' THR . 11.0 t -98.08 14.41 27.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.041 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.69 HG22 ' CA ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -69.66 171.96 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.884 HG23 ' CZ3' ' A' ' 40' ' ' TRP . 3.6 t -69.15 116.88 10.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.378 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.63 -27.53 5.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.951 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.44 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -103.4 -48.11 4.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.09 . . . . 0.0 109.326 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.569 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -67.78 124.22 22.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.884 ' CZ3' HG23 ' A' ' 36' ' ' THR . 7.0 m95 -143.75 129.38 19.19 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.473 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -118.58 159.31 14.42 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.546 1.154 . . . . 0.0 111.018 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.5 t -56.14 -35.63 67.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 0.743 . . . . 0.0 110.381 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.677 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 0.0 OUTLIER -96.2 6.76 48.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.473 ' CB ' ' H ' ' A' ' 41' ' ' GLY . 0.4 OUTLIER -104.43 163.13 12.66 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.487 1.117 . . . . 0.0 109.244 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.867 HD13 ' HA3' ' A' ' 74' ' ' GLY . 3.7 tp -98.52 153.82 18.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 0.0 109.342 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.585 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 6.9 tt0 -89.2 31.48 0.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.283 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.772 ' O ' ' CH2' ' A' ' 40' ' ' TRP . 30.3 m -64.5 161.44 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.28 157.51 43.63 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.69 ' CA ' HG22 ' A' ' 35' ' ' ILE . 18.2 Cg_endo -75.02 129.09 12.0 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.537 1.809 . . . . 0.0 110.987 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 32' ' ' THR . . . 100.85 10.94 41.78 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.52 1.138 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.561 ' O ' HG23 ' A' ' 31' ' ' VAL . 4.0 tt0 -105.9 171.31 7.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.431 0.724 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.5 p -126.07 130.07 50.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.032 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.78 HD23 ' HB3' ' A' ' 66' ' ' CYS . 58.4 tp -139.4 163.72 31.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 109.28 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 1.11 ' CG ' HG21 ' A' ' 25' ' ' VAL . 0.6 OUTLIER -78.3 134.08 37.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 110.286 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 1.087 HG11 ' CE2' ' A' ' 27' ' ' TYR . 2.2 t -103.94 130.46 54.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.986 HG22 ' H ' ' A' ' 57' ' ' GLN . 6.0 mt -91.64 -138.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.986 ' H ' HG22 ' A' ' 56' ' ' ILE . 27.7 mm100 -94.91 156.87 16.16 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.558 1.161 . . . . 0.0 110.269 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.681 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 4.4 p -67.7 123.33 20.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.367 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.486 ' OG1' ' CE1' ' A' ' 75' ' ' TYR . 1.3 m -55.11 -75.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.354 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.434 ' CG ' ' N ' ' A' ' 61' ' ' ASP . 5.9 t0 -104.78 -91.63 0.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.252 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.434 ' N ' ' CG ' ' A' ' 60' ' ' ASP . 0.2 OUTLIER -117.43 -57.08 2.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.461 HG22 ' CB ' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -117.47 68.74 0.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 110.406 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.681 ' O ' ' HA ' ' A' ' 58' ' ' THR . 2.5 tppt? -156.06 129.08 8.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.928 HG22 HD13 ' A' ' 81' ' ' LEU . 3.3 m -121.33 126.62 75.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.898 HD21 HD12 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -87.71 122.14 31.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.258 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.78 ' HB3' HD23 ' A' ' 53' ' ' LEU . 4.0 m -92.5 155.12 18.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 108.268 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.749 ' O ' HD11 ' A' ' 53' ' ' LEU . 0.8 OUTLIER -137.21 142.76 42.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.275 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.507 ' N ' ' OD1' ' A' ' 68' ' ' ASN . 0.4 OUTLIER -120.7 149.15 42.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.359 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.51 -17.01 2.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 110.295 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.421 ' O ' ' OE1' ' A' ' 9' ' ' GLU . 8.1 tp10 -59.16 -9.3 1.98 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 79.07 20.01 71.13 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.5 1.125 . . . . 0.0 111.025 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.404 ' O ' ' OD1' ' A' ' 68' ' ' ASN . 0.1 OUTLIER -118.72 147.91 43.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 0.753 . . . . 0.0 109.299 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.75 ' HB2' ' CD2' ' A' ' 13' ' ' PHE . 15.7 m-85 -117.11 157.65 25.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.103 . . . . 0.0 110.997 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.867 ' HA3' HD13 ' A' ' 45' ' ' LEU . . . -157.85 159.8 30.21 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.924 ' CZ ' ' CE2' ' A' ' 17' ' ' PHE . 8.1 m-85 -103.33 153.75 20.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 0.76 . . . . 0.0 111.017 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.64 HG21 ' SG ' ' A' ' 66' ' ' CYS . 4.0 t -143.39 126.58 13.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.422 HD23 ' H ' ' A' ' 78' ' ' ARG . 0.1 OUTLIER -71.74 142.26 49.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.536 ' CZ ' ' O ' ' A' ' 78' ' ' ARG . 0.0 OUTLIER -58.78 -20.36 49.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 110.312 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.471 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 13.1 t -47.43 -57.82 4.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.966 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.736 ' CE1' ' CG2' ' A' ' 36' ' ' THR . 13.7 p90 -115.9 85.07 2.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.988 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.928 HD13 HG22 ' A' ' 64' ' ' VAL . 0.3 OUTLIER -162.68 178.29 8.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.909 ' HB3' ' OG1' ' A' ' 29' ' ' THR . . . -88.27 176.95 7.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 -179.954 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.326 -0.25 . . . . 0.0 110.326 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.458 ' HD3' ' N ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -83.63 -12.27 56.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.339 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.458 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 8.8 tp10 -61.13 -24.81 66.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.28 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -60.36 -41.61 94.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.427 ' O ' ' HG2' ' A' ' 14' ' ' ARG . 17.3 mmtt -71.15 -32.57 69.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.484 ' O ' ' HB3' ' A' ' 15' ' ' LYS . 38.8 t70 -77.06 -31.0 55.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.984 ' CE1' ' CD2' ' A' ' 17' ' ' PHE . 26.2 t80 -60.72 -53.0 62.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 111.008 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.427 ' HG2' ' O ' ' A' ' 11' ' ' LYS . 6.8 ptm180 -60.02 -30.49 69.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.272 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.499 ' CE ' ' HB2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -54.29 -58.1 8.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.503 ' HG2' ' CD ' ' A' ' 43' ' ' ARG . 0.2 OUTLIER -84.67 -34.92 22.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 1.196 ' O ' ' N ' ' A' ' 19' ' ' TYR . 6.3 m-85 -88.38 27.57 1.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.082 . . . . 0.0 110.972 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 14' ' ' ARG . 0.3 OUTLIER -35.59 7.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.318 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 1.196 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -64.05 122.46 16.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.959 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.85 98.31 9.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.74 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -149.44 -169.92 16.41 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -102.59 92.64 4.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 0.756 . . . . 0.0 110.328 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.768 HD13 ' CE2' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -65.63 108.6 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.16 . . . . 0.0 109.266 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.74 144.28 22.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 110.336 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.984 HG11 ' HG2' ' A' ' 54' ' ' GLU . 75.2 t -95.57 100.15 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -92.46 -47.43 7.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 1.102 ' CE2' HG11 ' A' ' 55' ' ' VAL . 29.6 p90 -125.88 89.93 3.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.113 . . . . 0.0 111.011 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.729 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 79.5 p -72.03 111.7 7.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.017 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.728 HG21 HD11 ' A' ' 81' ' ' LEU . 1.0 OUTLIER -93.14 160.27 14.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.359 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.84 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 0.6 OUTLIER -101.45 138.94 37.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.429 1.081 . . . . 0.0 109.291 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.635 HG12 ' CB ' ' A' ' 35' ' ' ILE . 1.8 t -70.4 121.12 19.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.871 HG22 ' H ' ' A' ' 34' ' ' SER . 1.3 m -75.65 134.41 40.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.093 . . . . 0.0 110.425 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.577 ' O ' ' HB2' ' A' ' 49' ' ' PRO . 11.1 t -44.8 -16.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 110.428 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.871 ' H ' HG22 ' A' ' 32' ' ' THR . 0.2 OUTLIER -93.56 13.66 21.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.008 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.699 HG12 ' O ' ' A' ' 80' ' ' TYR . 0.0 OUTLIER -71.1 173.29 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.913 HG23 ' CZ3' ' A' ' 40' ' ' TRP . 2.4 t -70.52 121.31 17.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.389 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.432 ' HB2' ' CD ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -118.93 -27.52 5.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.988 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.43 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 0.2 OUTLIER -104.53 -47.37 4.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.29 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.612 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -67.2 123.93 21.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.913 ' CZ3' HG23 ' A' ' 36' ' ' THR . 5.8 m95 -144.06 128.14 17.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 107.97 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.44 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -118.62 159.52 14.34 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.7 t -56.7 -36.32 69.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 0.787 . . . . 0.0 110.38 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.668 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 2.1 mtm180 -96.45 7.14 47.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.273 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.44 ' CB ' ' H ' ' A' ' 41' ' ' GLY . 0.3 OUTLIER -104.9 163.12 12.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 1.049 HD23 ' CG1' ' A' ' 47' ' ' VAL . 8.6 tp -97.75 148.13 23.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.547 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 8.3 tt0 -87.48 31.1 0.76 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 1.049 ' CG1' HD23 ' A' ' 45' ' ' LEU . 23.3 m -64.18 161.6 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.33 154.24 43.76 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.137 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.698 ' CA ' HG22 ' A' ' 35' ' ' ILE . 18.2 Cg_endo -75.05 131.02 13.77 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.514 1.797 . . . . 0.0 110.966 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 98.66 9.02 53.79 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.515 1.135 . . . . 0.0 110.993 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.598 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.9 OUTLIER -100.7 171.59 7.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 0.768 . . . . 0.0 110.267 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.0 t -125.91 128.04 46.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.0 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.792 HD11 ' O ' ' A' ' 67' ' ' ARG . 51.7 tp -140.18 164.96 28.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.984 ' HG2' HG11 ' A' ' 25' ' ' VAL . 3.4 mt-10 -77.93 136.07 37.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 0.0 110.339 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 1.102 HG11 ' CE2' ' A' ' 27' ' ' TYR . 2.1 t -103.81 130.26 54.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.992 HG22 ' H ' ' A' ' 57' ' ' GLN . 7.9 mt -92.45 -138.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.992 ' H ' HG22 ' A' ' 56' ' ' ILE . 0.4 OUTLIER -95.47 156.56 16.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 110.278 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.659 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 3.4 p -67.55 123.26 19.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.438 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.463 ' HB ' ' CG ' ' A' ' 63' ' ' LYS . 1.1 m -54.81 -75.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.423 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.447 ' N ' HG22 ' A' ' 59' ' ' THR . 4.6 t0 -105.24 -91.33 0.39 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.414 ' N ' ' CG ' ' A' ' 60' ' ' ASP . 49.1 m-20 -117.37 -57.19 2.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.483 HG22 ' CB ' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -117.67 69.16 0.77 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.406 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.659 ' O ' ' HA ' ' A' ' 58' ' ' THR . 2.8 tppt? -156.32 129.48 8.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.666 HG22 HD22 ' A' ' 81' ' ' LEU . 3.2 m -120.96 126.19 74.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.839 ' CD2' HD12 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -89.53 121.69 31.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.77 ' HB3' HD23 ' A' ' 53' ' ' LEU . 31.0 m -92.08 157.03 16.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 108.324 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.792 ' O ' HD11 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -135.79 142.24 44.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.105 . . . . 0.0 110.32 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.482 ' ND2' ' O ' ' A' ' 72' ' ' LYS . 0.3 OUTLIER -120.95 143.69 48.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.78 -14.28 1.35 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 110.32 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.405 ' N ' ' C ' ' A' ' 68' ' ' ASN . 3.2 tp10 -59.6 -11.51 4.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 85.37 17.75 61.83 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.451 1.095 . . . . 0.0 111.028 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.52 ' HD3' HD11 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -124.54 150.34 45.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 0.754 . . . . 0.0 109.311 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.768 ' CE2' HD13 ' A' ' 23' ' ' ILE . 5.4 m-85 -115.97 164.88 13.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.901 ' HA3' HD13 ' A' ' 45' ' ' LEU . . . -157.16 159.24 29.53 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.551 1.157 . . . . 0.0 111.017 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.879 ' CE2' ' CE2' ' A' ' 17' ' ' PHE . 5.3 m-85 -104.95 151.7 23.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 0.762 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.744 HG21 ' SG ' ' A' ' 66' ' ' CYS . 2.1 t -138.15 124.76 26.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.442 HD23 ' HA ' ' A' ' 77' ' ' LEU . 0.1 OUTLIER -76.83 142.07 40.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.317 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.483 ' CB ' HG22 ' A' ' 62' ' ' THR . 0.0 OUTLIER -57.35 -22.86 45.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.338 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.429 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 9.3 t -50.63 -59.06 4.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.004 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.753 ' CE1' ' CG2' ' A' ' 36' ' ' THR . 19.5 p90 -117.42 84.33 2.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 111.002 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.897 HD12 ' H ' ' A' ' 82' ' ' ALA . 0.1 OUTLIER -165.7 174.0 10.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.897 ' H ' HD12 ' A' ' 81' ' ' LEU . . . -80.4 173.66 12.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 -179.975 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.3 mttm -63.56 -12.37 32.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -61.54 -39.21 90.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.247 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -68.69 -30.58 69.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 110.28 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.2 mmtt -66.78 -32.17 73.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.4 ' O ' ' HB3' ' A' ' 15' ' ' LYS . 7.5 t70 -60.81 -43.18 98.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.844 ' CE2' ' CD2' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -67.71 -51.18 52.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.986 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.559 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 24.5 ttt180 -59.84 -28.93 67.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.324 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.4 ' HB3' ' O ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -54.48 -59.18 5.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 109.331 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.16 -30.81 25.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 1.189 ' O ' ' N ' ' A' ' 19' ' ' TYR . 10.1 m-85 -87.28 29.79 0.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 111.022 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -35.2 7.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.346 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 1.189 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -64.34 121.96 15.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 111.012 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -100.42 98.18 8.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.696 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.8 -170.1 16.21 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.534 1.146 . . . . 0.0 111.045 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -102.72 92.25 4.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 0.758 . . . . 0.0 110.284 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.873 HD13 ' CE2' ' A' ' 73' ' ' TYR . 0.2 OUTLIER -67.52 109.22 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? -153.38 115.28 4.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.293 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.958 HG11 ' HG2' ' A' ' 54' ' ' GLU . 66.2 t -67.27 100.26 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -92.68 -47.33 7.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.355 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 1.076 ' CE2' HG11 ' A' ' 55' ' ' VAL . 36.9 p90 -125.89 89.56 3.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 111.011 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.716 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 15.4 p -72.93 110.27 7.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.014 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . 1.006 HG21 HD21 ' A' ' 81' ' ' LEU . 1.5 t -87.74 158.46 18.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 110.403 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.831 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 0.1 OUTLIER -105.41 137.23 43.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.266 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.685 ' CG1' HD12 ' A' ' 35' ' ' ILE . 1.7 t -72.63 142.09 15.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.675 HG23 ' H ' ' A' ' 34' ' ' SER . 10.5 t -94.36 -179.7 5.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.397 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.482 ' HA ' ' HB2' ' A' ' 49' ' ' PRO . 14.0 t -80.82 -23.75 38.96 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 110.408 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.675 ' H ' HG23 ' A' ' 32' ' ' THR . 24.1 t -91.17 13.6 16.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.996 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.685 HD12 ' CG1' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -70.54 171.97 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.893 HG23 ' CZ3' ' A' ' 40' ' ' TRP . 5.8 t -69.25 116.87 10.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 110.408 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.473 ' HB3' ' HD3' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -118.11 -27.49 6.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.019 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.427 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 0.8 OUTLIER -103.21 -47.25 4.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.534 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -68.13 123.43 20.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.893 ' CZ3' HG23 ' A' ' 36' ' ' THR . 8.3 m95 -143.48 132.26 22.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 108.016 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.426 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -117.82 158.37 14.68 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.485 1.115 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.4 m -56.23 -37.18 69.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 0.744 . . . . 0.0 110.407 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.641 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 7.4 mtm180 -96.75 7.25 47.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.333 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.426 ' CB ' ' H ' ' A' ' 41' ' ' GLY . 0.1 OUTLIER -103.69 162.96 12.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.143 . . . . 0.0 109.281 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.988 HD23 ' CG1' ' A' ' 47' ' ' VAL . 4.7 tp -96.96 149.03 22.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.495 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 0.2 OUTLIER -88.98 33.6 0.79 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.286 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.988 ' CG1' HD23 ' A' ' 45' ' ' LEU . 22.3 m -62.95 159.69 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.1 157.97 35.6 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.598 ' CA ' HG22 ' A' ' 35' ' ' ILE . 18.2 Cg_endo -74.96 125.91 9.65 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.487 1.782 . . . . 0.0 111.025 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 32' ' ' THR . . . 100.5 11.99 39.71 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.516 1.135 . . . . 0.0 110.972 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.522 ' O ' ' N ' ' A' ' 31' ' ' VAL . 0.3 OUTLIER -101.25 172.69 6.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 0.766 . . . . 0.0 110.243 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.38 129.94 43.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 110.019 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.811 HD11 ' O ' ' A' ' 67' ' ' ARG . 45.3 tp -139.94 165.49 27.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.251 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.958 ' HG2' HG11 ' A' ' 25' ' ' VAL . 3.9 mt-10 -78.2 134.32 37.63 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 1.076 HG11 ' CE2' ' A' ' 27' ' ' TYR . 2.2 t -103.82 131.1 53.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.147 . . . . 0.0 109.303 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.98 HG22 ' H ' ' A' ' 57' ' ' GLN . 4.1 mt -93.15 -137.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.98 ' H ' HG22 ' A' ' 56' ' ' ILE . 29.7 mm100 -94.78 156.91 16.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.362 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.678 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 5.8 p -67.61 123.23 19.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.378 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.539 ' HB ' ' HB3' ' A' ' 63' ' ' LYS . 1.2 m -55.34 -74.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 110.401 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.443 ' CG ' ' N ' ' A' ' 61' ' ' ASP . 4.1 t70 -104.71 -91.72 0.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.443 ' N ' ' CG ' ' A' ' 60' ' ' ASP . 1.8 m-20 -117.49 -57.36 2.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.437 ' O ' ' HB3' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -117.68 69.56 0.78 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.398 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.678 ' O ' ' HA ' ' A' ' 58' ' ' THR . 5.5 tttt -157.13 129.21 7.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.463 ' CG2' ' HG ' ' A' ' 81' ' ' LEU . 5.3 m -119.87 126.81 75.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.875 HD12 ' O ' ' A' ' 74' ' ' GLY . 0.2 OUTLIER -88.61 121.86 31.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.783 ' SG ' HG21 ' A' ' 76' ' ' VAL . 32.8 m -91.37 157.21 17.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 108.323 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.811 ' O ' HD11 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -134.52 142.94 47.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 110.289 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -120.47 139.83 52.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.53 -13.55 1.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -59.41 -10.24 3.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.303 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 87.36 15.67 61.8 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.541 1.151 . . . . 0.0 111.034 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.74 155.53 39.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 0.758 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.873 ' CE2' HD13 ' A' ' 23' ' ' ILE . 6.9 m-85 -118.75 167.21 11.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.975 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.875 ' O ' HD12 ' A' ' 65' ' ' LEU . . . -158.17 157.8 28.62 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.541 1.151 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.899 ' CZ ' ' CE2' ' A' ' 17' ' ' PHE . 2.4 m-85 -104.96 151.79 23.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 0.764 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.783 HG21 ' SG ' ' A' ' 66' ' ' CYS . 2.2 t -139.07 125.65 24.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.164 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.498 HD23 ' H ' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -76.29 144.33 40.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.341 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.498 ' H ' HD23 ' A' ' 77' ' ' LEU . 0.1 OUTLIER -56.15 -22.53 29.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 110.324 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.54 -59.09 4.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.983 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.754 ' CE1' HG21 ' A' ' 36' ' ' THR . 9.8 p90 -117.42 81.06 1.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 111.033 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 1.068 HD13 ' O ' ' A' ' 82' ' ' ALA . 0.7 OUTLIER -163.66 144.68 8.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 1.068 ' O ' HD13 ' A' ' 81' ' ' LEU . . . -54.58 174.23 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -180.0 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.4 mmtt -83.59 -15.13 50.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.345 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.402 ' CB ' ' HB2' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -64.53 -25.48 68.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -60.84 -41.34 95.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.301 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -70.32 -29.45 66.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.443 ' O ' ' HB3' ' A' ' 15' ' ' LYS . 12.9 t70 -74.67 -31.86 62.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.848 ' CE2' ' CD2' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -64.46 -51.49 62.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 0.0 110.996 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.533 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 0.9 OUTLIER -59.97 -29.89 68.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.487 ' CE ' ' HB2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -54.51 -58.01 9.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.487 ' HB2' ' CE ' ' A' ' 15' ' ' LYS . 5.3 tptt -84.42 -31.87 24.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 1.218 ' O ' ' N ' ' A' ' 19' ' ' TYR . 10.1 m-85 -87.42 30.1 0.82 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.972 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -34.54 6.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 1.218 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -65.21 122.29 16.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.994 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -100.9 97.97 8.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.253 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.683 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.62 -169.67 15.66 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.511 1.132 . . . . 0.0 111.026 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -102.88 92.57 4.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 0.743 . . . . 0.0 110.322 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.949 HG12 HD13 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -67.08 108.47 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -154.78 118.48 4.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.336 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 1.126 HG21 ' CG ' ' A' ' 54' ' ' GLU . 6.6 p -65.62 98.86 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.3 -47.65 7.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 1.016 ' CE2' HG11 ' A' ' 55' ' ' VAL . 39.2 p90 -126.26 88.97 2.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 111.029 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.66 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 54.6 p -73.52 110.35 7.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.026 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . 1.101 HG21 HD21 ' A' ' 81' ' ' LEU . 1.6 t -89.35 158.64 17.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.382 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.732 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 1.0 OUTLIER -103.15 137.47 41.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.695 ' CG1' HD12 ' A' ' 35' ' ' ILE . 1.7 t -72.96 146.33 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.15 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 50' ' ' GLY . 9.7 t -95.22 179.22 5.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 110.427 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.462 ' HA ' ' HB2' ' A' ' 49' ' ' PRO . 1.2 t -80.67 -25.26 38.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 110.426 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.2 t -91.47 14.34 15.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.976 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.695 HD12 ' CG1' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -70.08 171.98 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.897 HG23 ' CZ3' ' A' ' 40' ' ' TRP . 5.2 t -69.27 117.52 11.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.435 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.44 ' HB3' ' HG3' ' A' ' 49' ' ' PRO . 0.1 OUTLIER -119.02 -27.92 5.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.992 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.424 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 2.4 ptpp? -102.68 -47.56 4.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.58 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -67.79 123.29 20.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.897 ' CZ3' HG23 ' A' ' 36' ' ' THR . 6.9 m95 -143.53 129.71 19.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 107.99 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.458 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -118.86 159.29 14.49 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.518 1.136 . . . . 0.0 110.965 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.2 t -56.38 -36.2 68.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 0.783 . . . . 0.0 110.437 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.643 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 8.6 mtm105 -97.06 7.51 46.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 110.305 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.458 ' CB ' ' H ' ' A' ' 41' ' ' GLY . 0.4 OUTLIER -104.02 163.15 12.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.921 HD23 ' CG1' ' A' ' 47' ' ' VAL . 6.6 tp -97.12 148.71 22.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.567 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 4.7 tt0 -88.21 31.38 0.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.313 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.921 ' CG1' HD23 ' A' ' 45' ' ' LEU . 34.2 m -64.27 160.29 3.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -111.79 158.55 36.31 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.269 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.626 ' CA ' HG22 ' A' ' 35' ' ' ILE . 18.4 Cg_endo -74.95 123.94 8.28 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.545 1.813 . . . . 0.0 111.024 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 32' ' ' THR . . . 100.79 14.6 31.3 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.477 1.111 . . . . 0.0 111.006 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.603 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.9 OUTLIER -105.64 171.14 7.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 0.753 . . . . 0.0 110.265 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.4 p -131.99 129.44 40.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.024 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 1.008 HD21 ' CB ' ' A' ' 66' ' ' CYS . 0.0 OUTLIER -140.99 170.05 16.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 1.126 ' CG ' HG21 ' A' ' 25' ' ' VAL . 0.7 OUTLIER -77.61 134.82 38.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.325 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 1.016 HG11 ' CE2' ' A' ' 27' ' ' TYR . 2.1 t -106.27 134.4 47.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.994 HG22 ' H ' ' A' ' 57' ' ' GLN . 6.9 mt -92.72 -140.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.994 ' H ' HG22 ' A' ' 56' ' ' ILE . 15.4 mm100 -96.98 158.2 15.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.142 . . . . 0.0 110.286 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.631 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 7.9 p -67.91 128.85 38.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.408 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.472 ' OG1' ' CE1' ' A' ' 75' ' ' TYR . 1.2 m -61.21 -75.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.407 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.427 ' CG ' ' N ' ' A' ' 61' ' ' ASP . 4.7 t0 -105.42 -92.64 0.37 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.427 ' N ' ' CG ' ' A' ' 60' ' ' ASP . 0.9 OUTLIER -117.64 -56.58 2.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.835 HG22 ' CB ' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -115.38 67.76 0.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 110.436 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.631 ' O ' ' HA ' ' A' ' 58' ' ' THR . 0.0 OUTLIER -157.9 130.15 7.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.33 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.518 ' CG2' ' HG ' ' A' ' 81' ' ' LEU . 17.2 m -124.2 124.75 69.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.772 HD12 ' O ' ' A' ' 74' ' ' GLY . 0.1 OUTLIER -90.11 121.22 31.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.332 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 1.008 ' CB ' HD21 ' A' ' 53' ' ' LEU . 4.9 m -98.93 160.94 13.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 108.303 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.711 ' HG3' ' CD2' ' A' ' 73' ' ' TYR . 0.9 OUTLIER -134.62 144.44 47.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 72' ' ' LYS . 0.2 OUTLIER -119.44 143.46 47.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.33 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.15 -14.5 1.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 110.258 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.41 ' N ' ' C ' ' A' ' 68' ' ' ASN . 2.4 tp10 -59.47 -11.97 5.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.253 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.55 21.04 58.94 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.455 1.097 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.457 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 0.0 OUTLIER -124.59 148.9 47.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 0.736 . . . . 0.0 109.311 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.81 ' CE2' HD13 ' A' ' 23' ' ' ILE . 27.7 m-85 -115.32 156.87 24.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.981 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.772 ' O ' HD12 ' A' ' 65' ' ' LEU . . . -157.45 160.05 30.26 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.48 1.113 . . . . 0.0 111.019 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.902 ' CZ ' ' CE2' ' A' ' 17' ' ' PHE . 8.4 m-85 -102.95 153.13 20.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 0.771 . . . . 0.0 110.977 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.783 HG21 ' SG ' ' A' ' 66' ' ' CYS . 1.8 t -133.93 124.12 46.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.412 HD23 ' H ' ' A' ' 78' ' ' ARG . 0.1 OUTLIER -74.1 141.87 45.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.835 ' CB ' HG22 ' A' ' 62' ' ' THR . 0.0 OUTLIER -56.55 -22.05 30.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 0.0 110.28 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.4 ' HA ' ' NH2' ' A' ' 78' ' ' ARG . 15.6 t -49.91 -59.44 3.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 110.028 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.721 ' CE1' HG21 ' A' ' 36' ' ' THR . 9.0 p90 -117.38 80.58 1.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 110.982 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 1.101 HD21 HG21 ' A' ' 29' ' ' THR . 0.5 OUTLIER -164.52 141.77 6.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 1.087 ' N ' HD22 ' A' ' 81' ' ' LEU . . . -55.08 174.53 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -62.98 -12.33 24.95 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.25 -26.43 67.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.308 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.92 -41.32 97.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.69 -32.83 70.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.434 ' O ' ' HB3' ' A' ' 15' ' ' LYS . 32.6 t70 -76.68 -31.7 57.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.997 ' CE1' ' CD2' ' A' ' 17' ' ' PHE . 18.5 t80 -61.88 -52.68 63.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 111.042 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.45 ' HG2' ' N ' ' A' ' 15' ' ' LYS . 2.4 ptm180 -59.29 -30.82 68.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.347 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.45 ' N ' ' HG2' ' A' ' 14' ' ' ARG . 0.2 OUTLIER -54.11 -58.2 8.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.472 ' CG ' ' HD3' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -84.47 -33.76 23.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 1.184 ' O ' ' N ' ' A' ' 19' ' ' TYR . 15.1 m-85 -87.85 27.37 1.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -35.52 7.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 1.184 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -64.24 121.22 13.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 111.014 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -100.31 97.89 8.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.69 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -147.92 -170.32 15.85 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.528 1.142 . . . . 0.0 111.03 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -99.79 92.41 5.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 0.758 . . . . 0.0 110.277 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.927 HD13 ' CE2' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -68.85 107.98 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.308 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.19 121.51 5.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.345 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 1.072 HG21 ' CG ' ' A' ' 54' ' ' GLU . 6.0 p -67.26 100.79 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.35 -49.95 6.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 1.079 ' CE2' HG11 ' A' ' 55' ' ' VAL . 34.6 p90 -127.44 88.31 2.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.699 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 59.4 p -73.7 110.92 8.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.987 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.744 ' OG1' ' HB3' ' A' ' 82' ' ' ALA . 1.8 t -88.15 161.49 17.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 110.427 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.536 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 0.5 OUTLIER -101.32 137.4 39.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 51' ' ' GLU . 1.9 t -73.12 134.04 30.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.857 HG22 ' H ' ' A' ' 34' ' ' SER . 1.3 m -84.53 135.24 34.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.108 . . . . 0.0 110.378 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.546 ' O ' ' HB2' ' A' ' 49' ' ' PRO . 12.8 t -47.39 -11.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.098 . . . . 0.0 110.364 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.857 ' H ' HG22 ' A' ' 32' ' ' THR . 1.1 p -103.51 15.77 28.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.972 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.766 HG22 ' CA ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -69.88 175.47 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.303 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.899 HG23 ' CZ3' ' A' ' 40' ' ' TRP . 4.2 t -69.28 118.99 12.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.368 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.419 ' HB3' ' CD ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -117.91 -26.57 6.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.02 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.438 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 2.0 ptmm? -103.91 -47.84 4.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.547 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -67.71 123.9 21.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.899 ' CZ3' HG23 ' A' ' 36' ' ' THR . 7.2 m95 -144.23 129.37 18.65 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.462 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -117.55 158.94 14.34 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.512 1.132 . . . . 0.0 110.983 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.2 m -56.07 -35.62 67.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 0.778 . . . . 0.0 110.388 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.712 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 29.0 mtm180 -95.68 5.36 51.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 110.273 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.462 ' CB ' ' H ' ' A' ' 41' ' ' GLY . 0.4 OUTLIER -103.58 161.83 13.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.856 HD23 ' CG1' ' A' ' 47' ' ' VAL . 7.3 tp -97.63 152.35 19.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.262 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.581 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 6.7 tt0 -87.6 31.53 0.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.308 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.856 ' CG1' HD23 ' A' ' 45' ' ' LEU . 35.0 m -63.91 159.8 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.02 155.41 41.74 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.766 ' CA ' HG22 ' A' ' 35' ' ' ILE . 18.2 Cg_endo -75.01 128.96 11.89 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.519 1.799 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 98.22 11.06 50.07 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.501 1.125 . . . . 0.0 110.978 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.725 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.5 OUTLIER -103.58 172.48 6.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 0.763 . . . . 0.0 110.327 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.44 ' HB3' ' CG ' ' A' ' 30' ' ' LYS . 0.9 OUTLIER -124.88 129.59 50.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.983 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.795 HD11 ' O ' ' A' ' 67' ' ' ARG . 31.2 tp -139.36 164.51 29.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.082 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 1.072 ' CG ' HG21 ' A' ' 25' ' ' VAL . 0.7 OUTLIER -78.39 132.0 37.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.315 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 1.079 HG11 ' CE2' ' A' ' 27' ' ' TYR . 2.3 t -102.69 129.09 54.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.98 HG22 ' H ' ' A' ' 57' ' ' GLN . 4.3 mt -92.33 -138.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.98 ' H ' HG22 ' A' ' 56' ' ' ILE . 19.7 mm-40 -94.36 157.24 16.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.27 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.736 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 8.3 p -67.67 123.75 21.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 110.423 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.553 ' OG1' ' CE1' ' A' ' 75' ' ' TYR . 1.3 m -54.96 -74.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.375 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -104.58 -91.17 0.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -117.27 -57.57 2.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.556 HG21 ' CD ' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -117.53 69.13 0.76 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 110.359 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.736 ' O ' ' HA ' ' A' ' 58' ' ' THR . 0.1 OUTLIER -157.35 129.76 7.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.905 HG22 HD13 ' A' ' 81' ' ' LEU . 3.6 m -120.57 128.26 76.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.885 HD21 HD12 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -87.48 124.52 33.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.368 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.725 ' SG ' HG21 ' A' ' 76' ' ' VAL . 14.0 m -89.56 158.49 17.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 108.309 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.795 ' O ' HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -134.43 146.94 50.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.267 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.618 ' OD1' HD21 ' A' ' 45' ' ' LEU . 6.4 m120 -113.17 139.89 48.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -53.93 -18.65 3.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 110.329 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -79.46 -4.54 51.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 88.51 17.78 56.31 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.549 1.156 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.437 ' HE3' HD11 ' A' ' 45' ' ' LEU . 14.7 ttpt -96.4 124.69 40.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.765 . . . . 0.0 109.272 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.927 ' CE2' HD13 ' A' ' 23' ' ' ILE . 12.4 m-85 -111.89 151.6 28.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 111.008 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.542 ' HA3' HD13 ' A' ' 45' ' ' LEU . . . -159.37 161.76 32.35 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.529 1.143 . . . . 0.0 110.973 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.921 ' CZ ' ' CE2' ' A' ' 17' ' ' PHE . 10.1 m-85 -101.26 154.19 18.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.76 . . . . 0.0 111.006 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.725 HG21 ' SG ' ' A' ' 66' ' ' CYS . 4.0 t -143.11 126.42 13.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.417 HD23 ' H ' ' A' ' 78' ' ' ARG . 0.1 OUTLIER -72.84 142.03 47.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.335 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.556 ' CD ' HG21 ' A' ' 62' ' ' THR . 0.0 OUTLIER -57.31 -19.42 22.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.331 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.433 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 21.8 t -47.03 -58.24 4.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.104 . . . . 0.0 110.031 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.662 ' CE1' HG21 ' A' ' 36' ' ' THR . 7.5 p90 -116.56 84.22 2.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 111.009 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.905 HD13 HG22 ' A' ' 64' ' ' VAL . 0.3 OUTLIER -162.98 176.58 9.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.769 ' H ' HD23 ' A' ' 81' ' ' LEU . . . -89.87 173.97 7.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.982 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.9 mtmm -83.04 -12.82 56.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -61.92 -25.9 67.86 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 110.311 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -67.27 -31.86 72.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.271 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.528 ' O ' ' CG ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -67.1 -31.4 71.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.73 ' O ' ' HG3' ' A' ' 15' ' ' LYS . 64.7 t0 -60.01 -39.93 87.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.846 ' CE2' ' CD2' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -82.38 -49.99 9.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.565 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 7.9 ttt180 -58.27 -36.99 74.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.315 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.73 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -51.78 -57.41 9.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.317 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.426 ' N ' ' HD3' ' A' ' 15' ' ' LYS . 1.2 tptp -82.37 -35.48 27.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 1.19 ' O ' ' N ' ' A' ' 19' ' ' TYR . 9.2 m-85 -87.41 30.59 0.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -35.57 8.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.256 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 1.19 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -63.26 122.01 15.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -100.31 98.16 8.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.258 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.698 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.31 -169.82 15.63 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.496 1.122 . . . . 0.0 110.976 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -102.26 92.26 4.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 0.781 . . . . 0.0 110.315 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.937 HD13 ' CE2' ' A' ' 73' ' ' TYR . 0.4 OUTLIER -69.98 109.14 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.352 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.14 131.67 12.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.314 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.496 ' HB ' ' CD ' ' A' ' 54' ' ' GLU . 7.6 p -74.16 98.12 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.65 -49.2 6.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 1.118 ' CE2' HG11 ' A' ' 55' ' ' VAL . 27.7 p90 -130.64 87.96 2.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 0.0 111.054 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.591 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 38.6 p -71.2 110.99 6.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.97 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.736 HG22 ' CG2' ' A' ' 55' ' ' VAL . 1.2 t -92.13 161.18 14.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.394 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.798 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -101.1 138.74 37.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.165 . . . . 0.0 109.319 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 51' ' ' GLU . 2.1 t -70.52 120.3 18.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.822 HG22 ' H ' ' A' ' 34' ' ' SER . 1.2 m -75.53 133.34 41.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.43 1.081 . . . . 0.0 110.351 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.581 ' O ' ' HB2' ' A' ' 49' ' ' PRO . 14.2 t -43.07 -20.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 110.428 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.822 ' H ' HG22 ' A' ' 32' ' ' THR . 0.2 OUTLIER -89.69 13.77 13.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.984 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.693 HG12 ' O ' ' A' ' 80' ' ' TYR . 0.0 OUTLIER -71.32 173.55 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.102 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.901 HG23 ' CZ3' ' A' ' 40' ' ' TRP . 2.4 t -70.77 120.25 16.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.404 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.68 -27.62 5.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 110.021 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.434 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -104.42 -47.81 4.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.259 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.568 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -67.35 124.97 24.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.901 ' CZ3' HG23 ' A' ' 36' ' ' THR . 6.5 m95 -144.58 129.61 18.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 108.026 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.457 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -118.6 159.68 14.28 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.502 1.126 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.4 t -56.81 -35.81 69.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 0.745 . . . . 0.0 110.349 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.666 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 9.2 mtm180 -96.49 6.83 47.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.457 ' CB ' ' H ' ' A' ' 41' ' ' GLY . 0.4 OUTLIER -103.81 162.74 12.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.34 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.9 HD13 ' HA3' ' A' ' 74' ' ' GLY . 6.1 tp -97.7 151.27 20.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.603 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 5.5 tt0 -88.07 31.24 0.8 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.764 ' O ' ' CH2' ' A' ' 40' ' ' TRP . 19.3 m -64.19 159.97 3.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -111.87 155.61 42.97 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 109.357 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.659 ' CA ' HG22 ' A' ' 35' ' ' ILE . 18.3 Cg_endo -75.0 130.19 13.04 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.463 1.77 . . . . 0.0 110.984 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.06 11.78 44.85 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.641 ' O ' HG23 ' A' ' 31' ' ' VAL . 1.2 mt-10 -105.06 172.15 6.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 0.751 . . . . 0.0 110.283 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.1 t -125.4 130.3 51.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 110.033 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.765 HD23 ' HB3' ' A' ' 66' ' ' CYS . 28.9 tp -139.47 166.71 23.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.598 ' O ' ' HA ' ' A' ' 66' ' ' CYS . 0.9 OUTLIER -78.2 132.47 37.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.278 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 1.118 HG11 ' CE2' ' A' ' 27' ' ' TYR . 2.2 t -102.68 126.58 56.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.977 HG22 ' H ' ' A' ' 57' ' ' GLN . 4.6 mt -91.4 -138.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.977 ' H ' HG22 ' A' ' 56' ' ' ILE . 29.1 mm100 -94.87 156.85 16.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.291 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.702 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 6.5 p -67.82 122.8 18.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.385 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.529 ' HB ' ' HB3' ' A' ' 63' ' ' LYS . 1.1 m -54.53 -74.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.434 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.453 ' N ' HG22 ' A' ' 59' ' ' THR . 1.0 OUTLIER -104.76 -91.45 0.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.095 . . . . 0.0 109.29 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -118.09 -56.82 2.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.598 HG22 ' CB ' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -117.92 69.82 0.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.404 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.702 ' O ' ' HA ' ' A' ' 58' ' ' THR . 4.0 tttt -157.34 130.49 7.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.682 HG22 HD22 ' A' ' 81' ' ' LEU . 3.9 m -121.09 127.77 75.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.914 HD12 ' O ' ' A' ' 74' ' ' GLY . 0.7 OUTLIER -88.79 122.44 32.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.343 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.765 ' HB3' HD23 ' A' ' 53' ' ' LEU . 30.4 m -91.79 156.69 17.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 108.269 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.765 ' O ' HD11 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -134.98 142.44 46.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.292 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.597 HD21 HD21 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -120.7 141.72 50.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.339 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -56.43 -13.11 2.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.336 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -60.57 -9.52 3.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.281 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.4 14.02 66.92 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.499 1.125 . . . . 0.0 111.028 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.1 ttpm? -122.46 156.62 33.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 0.778 . . . . 0.0 109.322 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.937 ' CE2' HD13 ' A' ' 23' ' ' ILE . 7.0 m-85 -119.82 167.64 11.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 110.99 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.914 ' O ' HD12 ' A' ' 65' ' ' LEU . . . -157.34 158.61 29.08 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.501 1.126 . . . . 0.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.887 ' CZ ' ' CE2' ' A' ' 17' ' ' PHE . 2.0 m-85 -105.44 153.78 21.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 0.776 . . . . 0.0 110.956 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.761 HG21 ' SG ' ' A' ' 66' ' ' CYS . 2.3 t -142.52 125.92 14.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.475 HD23 ' H ' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -79.55 144.16 34.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.293 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.598 ' CB ' HG22 ' A' ' 62' ' ' THR . 0.0 OUTLIER -57.51 -21.98 41.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 110.266 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.447 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 14.6 t -50.44 -59.29 4.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 110.011 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.749 ' CE1' ' CG2' ' A' ' 36' ' ' THR . 21.2 p90 -117.42 83.99 2.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.967 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.878 HD12 ' H ' ' A' ' 82' ' ' ALA . 0.1 OUTLIER -166.42 173.3 10.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.576 1.173 . . . . 0.0 109.285 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.878 ' H ' HD12 ' A' ' 81' ' ' LEU . . . -76.42 174.11 10.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -73.94 -10.96 60.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -60.48 -24.58 65.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.286 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.456 ' O ' ' HB3' ' A' ' 13' ' ' PHE . 1.5 tm-20 -60.63 -41.83 95.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.602 ' O ' ' HD2' ' A' ' 15' ' ' LYS . 3.6 mmtp -73.06 -48.73 33.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.614 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 10.7 t70 -58.17 -29.3 65.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.934 ' CE2' ' CD2' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -62.5 -46.08 90.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 111.047 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.491 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 0.8 OUTLIER -59.27 -29.76 67.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.338 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.614 ' HB2' ' O ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -54.33 -60.23 3.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 109.299 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.491 ' HG2' ' CD ' ' A' ' 43' ' ' ARG . 19.9 tptt -82.73 -33.7 27.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.26 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 1.213 ' O ' ' N ' ' A' ' 19' ' ' TYR . 12.3 m-85 -88.98 27.98 1.26 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -34.96 6.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.348 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 1.213 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -64.75 122.76 17.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.975 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -101.64 97.97 8.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.147 . . . . 0.0 109.295 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.693 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.83 -170.02 16.15 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.43 1.081 . . . . 0.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -100.82 92.81 5.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 0.801 . . . . 0.0 110.335 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.853 HG12 HD13 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -65.72 107.32 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.433 ' O ' ' HG3' ' A' ' 24' ' ' ARG . 16.6 ptm180 -154.43 125.63 7.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.322 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 1.116 HG21 ' CG ' ' A' ' 54' ' ' GLU . 4.2 p -73.1 99.03 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.13 -47.89 7.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 1.093 ' CE2' HG11 ' A' ' 55' ' ' VAL . 33.2 p90 -126.79 87.52 2.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.678 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 86.0 p -71.91 111.26 7.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 110.032 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . 1.033 HG21 HD21 ' A' ' 81' ' ' LEU . 1.8 t -89.47 158.39 17.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 110.359 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.868 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 0.4 OUTLIER -103.67 137.01 42.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.329 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.682 ' CG1' HD12 ' A' ' 35' ' ' ILE . 1.8 t -73.64 145.48 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.869 HG23 ' H ' ' A' ' 34' ' ' SER . 2.4 t -94.82 178.55 5.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 110.419 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.472 ' HA ' ' HB2' ' A' ' 49' ' ' PRO . 6.8 t -80.26 -24.55 40.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.386 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.869 ' H ' HG23 ' A' ' 32' ' ' THR . 20.6 t -91.75 14.48 15.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.046 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.682 HD12 ' CG1' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -70.23 172.21 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.895 HG23 ' CZ3' ' A' ' 40' ' ' TRP . 5.0 t -69.2 117.41 10.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.431 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.407 ' HB3' ' HD3' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -118.13 -28.33 5.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.977 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.424 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 13.6 pttp -103.53 -47.26 4.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.243 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.549 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -67.57 123.63 20.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.895 ' CZ3' HG23 ' A' ' 36' ' ' THR . 7.6 m95 -143.81 130.29 20.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 108.005 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.473 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -118.25 159.69 14.18 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.534 1.146 . . . . 0.0 110.987 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -56.51 -35.7 68.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 0.784 . . . . 0.0 110.385 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.639 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 6.0 mtm180 -96.79 7.23 47.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.473 ' CB ' ' H ' ' A' ' 41' ' ' GLY . 0.5 OUTLIER -104.43 162.06 13.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.852 HD23 ' CG1' ' A' ' 47' ' ' VAL . 4.2 tp -97.08 152.38 18.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.568 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 5.5 tt0 -88.74 31.59 0.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 110.352 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.852 ' CG1' HD23 ' A' ' 45' ' ' LEU . 27.1 m -64.0 161.3 2.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.69 158.26 39.35 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.638 ' CA ' HG22 ' A' ' 35' ' ' ILE . 18.3 Cg_endo -75.0 125.03 9.06 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.501 1.79 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 32' ' ' THR . . . 100.42 13.01 36.84 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.552 1.158 . . . . 0.0 110.997 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.594 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -104.65 171.96 7.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 0.778 . . . . 0.0 110.339 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.22 129.74 43.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.013 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.779 HD23 ' HB3' ' A' ' 66' ' ' CYS . 62.0 tp -139.97 166.07 25.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.352 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 1.116 ' CG ' HG21 ' A' ' 25' ' ' VAL . 0.8 OUTLIER -77.4 133.13 38.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 1.093 HG11 ' CE2' ' A' ' 27' ' ' TYR . 2.1 t -102.94 130.62 52.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.967 HG22 ' H ' ' A' ' 57' ' ' GLN . 5.3 mt -92.26 -137.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.967 ' H ' HG22 ' A' ' 56' ' ' ILE . 20.0 mm100 -94.61 157.01 16.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.362 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.67 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 3.1 p -67.41 122.92 19.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 110.432 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.629 ' OG1' ' CE1' ' A' ' 75' ' ' TYR . 1.4 m -54.78 -74.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.428 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.417 ' CG ' ' N ' ' A' ' 61' ' ' ASP . 5.8 t70 -104.9 -91.68 0.38 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.417 ' N ' ' CG ' ' A' ' 60' ' ' ASP . 42.2 m-20 -118.08 -56.77 2.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.657 HG22 ' CB ' ' A' ' 78' ' ' ARG . 0.6 OUTLIER -117.53 69.52 0.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.405 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.67 ' O ' ' HA ' ' A' ' 58' ' ' THR . 0.6 OUTLIER -158.23 129.78 6.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.269 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.537 HG22 ' HG ' ' A' ' 81' ' ' LEU . 3.8 m -120.82 126.84 75.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.847 HD21 HD12 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -88.72 121.72 31.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.864 ' SG ' HG21 ' A' ' 76' ' ' VAL . 35.6 m -93.71 155.39 17.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 108.263 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.779 ' O ' HD11 ' A' ' 53' ' ' LEU . 0.7 OUTLIER -136.27 143.25 44.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 110.334 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.405 ' C ' ' N ' ' A' ' 70' ' ' GLU . 0.4 OUTLIER -120.22 145.95 46.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.94 -15.46 1.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 110.317 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.405 ' N ' ' C ' ' A' ' 68' ' ' ASN . 7.5 tp10 -59.48 -11.55 4.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 110.331 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 82.0 26.82 47.72 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.408 ' NZ ' ' HB3' ' A' ' 72' ' ' LYS . 2.1 ttpm? -124.08 146.47 48.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 0.753 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.725 ' CD2' ' HG3' ' A' ' 67' ' ' ARG . 35.8 m-85 -119.06 153.8 34.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.967 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.801 ' O ' HD12 ' A' ' 65' ' ' LEU . . . -158.2 161.6 31.72 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.889 ' CZ ' ' CE2' ' A' ' 17' ' ' PHE . 11.9 m-85 -102.96 153.64 20.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 0.752 . . . . 0.0 110.993 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.864 HG21 ' SG ' ' A' ' 66' ' ' CYS . 2.2 t -133.32 126.38 52.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.424 HD23 ' H ' ' A' ' 78' ' ' ARG . 0.1 OUTLIER -75.8 142.74 42.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.337 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.657 ' CB ' HG22 ' A' ' 62' ' ' THR . 0.0 OUTLIER -57.24 -22.89 44.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.27 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 17.6 t -48.94 -59.06 3.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.988 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.69 ' CE1' HG21 ' A' ' 36' ' ' THR . 6.4 p90 -117.9 80.3 1.49 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 111.013 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 1.059 HD13 ' O ' ' A' ' 82' ' ' ALA . 0.8 OUTLIER -163.23 143.74 9.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 109.344 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 1.059 ' O ' HD13 ' A' ' 81' ' ' LEU . . . -55.45 174.8 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.944 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.7 mtmm -63.09 -16.2 59.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.43 -42.12 45.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.262 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -70.01 -38.75 76.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 110.363 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.05 -37.66 85.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.4 ' O ' ' HB3' ' A' ' 15' ' ' LYS . 5.4 t0 -62.63 -42.83 99.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.858 ' CE2' ' CD2' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -67.76 -52.06 41.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.128 . . . . 0.0 110.994 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.52 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 13.7 ttt180 -59.63 -28.47 67.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.425 ' CE ' ' HB2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -54.78 -59.07 5.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.265 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.425 ' HB2' ' CE ' ' A' ' 15' ' ' LYS . 1.3 tptt -84.61 -31.16 24.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 1.201 ' O ' ' N ' ' A' ' 19' ' ' TYR . 13.5 m-85 -86.93 29.56 0.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.981 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -34.87 7.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 1.201 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -65.3 121.87 15.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.972 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -100.12 98.09 8.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.698 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.68 -169.89 15.93 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.548 1.155 . . . . 0.0 111.021 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -103.19 92.37 4.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 0.788 . . . . 0.0 110.287 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.865 HG12 HD13 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -66.97 108.4 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.66 115.58 3.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.341 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.93 HG11 ' HG2' ' A' ' 54' ' ' GLU . 65.2 t -66.33 99.88 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.336 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.85 -47.31 7.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 1.06 ' CE2' HG11 ' A' ' 55' ' ' VAL . 38.4 p90 -125.84 89.79 3.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.987 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.703 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 14.4 t -74.38 110.52 8.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.011 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.884 HG21 HD21 ' A' ' 81' ' ' LEU . 1.4 t -90.49 159.95 16.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.398 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.774 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 4.3 mtmp? -103.15 137.76 40.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.664 ' CG1' HD12 ' A' ' 35' ' ' ILE . 1.8 t -71.09 144.32 13.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.634 HG23 ' H ' ' A' ' 34' ' ' SER . 8.0 t -94.14 179.33 5.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.449 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.452 ' HA ' ' HB2' ' A' ' 49' ' ' PRO . 5.8 t -80.53 -25.29 38.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 110.418 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.634 ' H ' HG23 ' A' ' 32' ' ' THR . 19.2 t -90.18 14.02 13.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.043 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.664 HD12 ' CG1' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -70.35 171.7 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.284 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.883 HG23 ' CZ3' ' A' ' 40' ' ' TRP . 4.3 t -69.12 117.59 10.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 110.429 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.402 ' HB2' ' HD3' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -118.85 -27.88 5.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 109.993 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.428 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 0.2 OUTLIER -103.39 -47.44 4.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.579 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -67.7 123.59 20.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.883 ' CZ3' HG23 ' A' ' 36' ' ' THR . 6.9 m95 -143.67 129.4 19.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 108.002 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.465 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -118.77 159.37 14.44 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.521 1.138 . . . . 0.0 110.95 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -56.41 -35.87 68.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 0.75 . . . . 0.0 110.402 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.661 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 10.0 mtm180 -96.78 7.08 47.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.443 1.089 . . . . 0.0 110.311 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.465 ' CB ' ' H ' ' A' ' 41' ' ' GLY . 0.4 OUTLIER -104.08 163.1 12.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 1.009 HD23 ' CG1' ' A' ' 47' ' ' VAL . 5.4 tp -97.34 150.49 20.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.6 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 5.4 tt0 -88.46 31.38 0.83 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 110.289 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 1.009 ' CG1' HD23 ' A' ' 45' ' ' LEU . 34.3 m -64.02 160.46 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.36 157.96 38.58 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.642 ' CA ' HG22 ' A' ' 35' ' ' ILE . 18.4 Cg_endo -75.02 124.77 8.86 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.486 1.782 . . . . 0.0 111.03 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 32' ' ' THR . . . 100.82 13.37 34.62 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.485 1.116 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.56 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.5 OUTLIER -104.93 171.85 7.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 0.789 . . . . 0.0 110.286 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.21 130.07 48.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.989 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.757 HD11 ' O ' ' A' ' 67' ' ' ARG . 61.7 tp -140.25 165.8 26.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.93 ' HG2' HG11 ' A' ' 25' ' ' VAL . 3.5 mt-10 -77.73 134.37 38.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 1.06 HG11 ' CE2' ' A' ' 27' ' ' TYR . 2.2 t -104.16 130.16 55.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.978 HG22 ' H ' ' A' ' 57' ' ' GLN . 12.5 mt -91.92 -137.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.978 ' H ' HG22 ' A' ' 56' ' ' ILE . 11.6 tt0 -95.15 156.92 16.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.313 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.643 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 3.1 p -67.66 124.67 23.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 110.383 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.545 ' HB ' ' HB3' ' A' ' 63' ' ' LYS . 1.4 m -56.08 -74.88 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.538 1.148 . . . . 0.0 110.428 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -105.61 -91.52 0.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -117.98 -56.97 2.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.52 HG22 ' CB ' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -116.96 69.09 0.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.413 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.643 ' O ' ' HA ' ' A' ' 58' ' ' THR . 0.0 OUTLIER -158.13 129.69 6.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.277 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.533 HG22 ' HG ' ' A' ' 81' ' ' LEU . 3.8 m -121.59 126.21 74.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.358 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.866 HD12 ' O ' ' A' ' 74' ' ' GLY . 0.1 OUTLIER -89.49 121.25 31.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.783 ' SG ' HG21 ' A' ' 76' ' ' VAL . 34.6 m -90.14 158.6 17.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 108.299 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.757 ' O ' HD11 ' A' ' 53' ' ' LEU . 6.6 ttm180 -134.36 142.91 47.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.334 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.416 ' C ' ' H ' ' A' ' 70' ' ' GLU . 1.2 p30 -121.03 142.51 49.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.347 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -57.3 -10.01 1.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 110.251 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.416 ' H ' ' C ' ' A' ' 68' ' ' ASN . 3.5 tp10 -61.06 -9.32 4.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 110.343 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 85.82 14.32 67.75 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.498 1.124 . . . . 0.0 111.032 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.94 156.95 37.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 0.789 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.822 ' CE2' HD13 ' A' ' 23' ' ' ILE . 4.5 m-85 -119.56 166.23 13.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 111.023 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.866 ' O ' HD12 ' A' ' 65' ' ' LEU . . . -157.75 158.7 29.29 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.525 1.141 . . . . 0.0 111.004 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.893 ' CZ ' ' CE2' ' A' ' 17' ' ' PHE . 4.5 m-85 -104.31 154.53 19.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 0.77 . . . . 0.0 110.985 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.783 HG21 ' SG ' ' A' ' 66' ' ' CYS . 2.2 t -140.16 125.52 20.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.449 HD23 ' H ' ' A' ' 78' ' ' ARG . 0.1 OUTLIER -77.02 143.85 39.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.52 ' CB ' HG22 ' A' ' 62' ' ' THR . 0.0 OUTLIER -56.99 -23.13 43.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.289 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.63 -59.68 3.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.987 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.733 ' CE1' HG21 ' A' ' 36' ' ' THR . 18.6 p90 -117.98 79.93 1.44 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 110.971 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 1.176 HD22 ' N ' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -165.25 140.46 5.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 1.176 ' N ' HD22 ' A' ' 81' ' ' LEU . . . -53.96 171.28 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.238 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.433 0 O-C-N 124.45 1.094 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.9 mttp -66.61 -24.13 66.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -62.37 -27.55 69.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.41 -31.45 72.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.273 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.2 mtmt -61.22 -30.83 70.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -74.6 -43.84 53.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.783 ' O ' ' HB2' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -68.08 -51.88 41.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 111.001 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.437 ' N ' ' CD2' ' A' ' 13' ' ' PHE . 4.1 ttt-85 -60.24 -28.31 67.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.308 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.51 -59.45 4.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.498 ' CG ' ' HD3' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -84.16 -32.6 24.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 1.2 ' O ' ' N ' ' A' ' 19' ' ' TYR . 10.5 m-85 -87.67 29.04 0.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -34.95 6.95 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 1.2 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -64.6 121.41 14.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 179.944 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -99.51 97.82 8.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.7 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.61 -169.75 15.74 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.454 1.096 . . . . 0.0 111.002 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -102.92 92.67 4.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 0.761 . . . . 0.0 110.272 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.857 HD13 ' CE2' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -67.19 108.54 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.336 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.403 ' CD ' ' O ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -154.34 116.54 4.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.163 . . . . 0.0 110.276 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.852 HG21 ' CG ' ' A' ' 54' ' ' GLU . 7.5 p -65.1 99.01 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -90.9 -48.36 7.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 1.148 ' CE2' HG11 ' A' ' 55' ' ' VAL . 34.5 p90 -127.65 84.93 2.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 110.973 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.749 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 12.2 p -72.77 110.67 7.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.992 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.755 HG22 ' CG2' ' A' ' 55' ' ' VAL . 3.1 t -85.33 161.24 19.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.368 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.94 136.61 40.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.623 ' CG1' HG21 ' A' ' 35' ' ' ILE . 1.6 t -73.66 119.15 20.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.77 HG23 ' H ' ' A' ' 34' ' ' SER . 12.1 t -77.91 178.87 7.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.437 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.524 ' HA ' ' HB2' ' A' ' 49' ' ' PRO . 1.3 t -80.04 -11.37 59.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 110.399 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.77 ' H ' HG23 ' A' ' 32' ' ' THR . 1.2 t -99.48 13.25 33.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 109.998 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.677 HG22 ' CA ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -70.78 171.58 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.881 ' O ' ' CH2' ' A' ' 40' ' ' TRP . 1.7 t -69.88 117.38 11.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 110.382 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -119.24 -28.09 5.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.954 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.438 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -103.36 -48.58 3.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.551 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -68.19 124.24 22.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 109.337 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.881 ' CH2' ' O ' ' A' ' 36' ' ' THR . 7.3 m95 -143.87 132.23 22.07 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.015 -1.105 . . . . 0.0 108.015 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.451 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -119.45 158.63 15.0 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.502 1.126 . . . . 0.0 111.041 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.7 t -56.33 -35.7 67.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 0.784 . . . . 0.0 110.419 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.631 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 8.1 mtm180 -97.43 7.21 46.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.326 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.451 ' CB ' ' H ' ' A' ' 41' ' ' GLY . 0.3 OUTLIER -103.34 163.76 12.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.897 HD13 ' HA3' ' A' ' 74' ' ' GLY . 4.7 tp -97.45 151.87 19.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.608 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 5.1 tt0 -89.32 30.85 0.94 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.278 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.802 ' O ' ' CH2' ' A' ' 40' ' ' TRP . 16.1 m -63.87 160.16 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.316 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -114.26 156.18 44.65 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.677 ' CA ' HG22 ' A' ' 35' ' ' ILE . 18.2 Cg_endo -74.97 129.09 12.04 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.53 1.806 . . . . 0.0 111.038 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 32' ' ' THR . . . 100.61 12.28 38.49 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.501 1.126 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.62 ' O ' HG23 ' A' ' 31' ' ' VAL . 7.4 tp10 -109.13 171.95 7.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 0.787 . . . . 0.0 110.333 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 29.6 t -110.99 131.15 55.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.992 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 1.043 HD23 ' O ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -140.02 154.48 47.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 109.312 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.852 ' CG ' HG21 ' A' ' 25' ' ' VAL . 0.4 OUTLIER -82.1 134.89 35.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.126 . . . . 0.0 110.29 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 1.148 HG11 ' CE2' ' A' ' 27' ' ' TYR . 2.4 t -104.62 128.43 58.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.581 1.176 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.97 HG22 ' H ' ' A' ' 57' ' ' GLN . 4.9 mt -92.98 -137.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.97 ' H ' HG22 ' A' ' 56' ' ' ILE . 12.1 tt0 -94.09 156.19 16.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 110.297 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.64 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 1.4 p -67.59 121.08 15.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.397 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.468 ' HB ' ' HB3' ' A' ' 63' ' ' LYS . 1.2 m -54.51 -74.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.365 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.407 ' CG ' ' N ' ' A' ' 61' ' ' ASP . 8.1 t0 -104.82 -91.91 0.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.407 ' N ' ' CG ' ' A' ' 60' ' ' ASP . 0.3 OUTLIER -117.88 -57.29 2.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.335 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.445 ' CG2' ' HG2' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -117.83 68.66 0.77 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 110.417 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.64 ' O ' ' HA ' ' A' ' 58' ' ' THR . 41.6 tttt -154.71 130.98 10.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.888 HG12 ' OH ' ' A' ' 27' ' ' TYR . 3.5 m -119.66 128.23 75.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.768 ' CD2' HD12 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -88.09 128.99 35.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.608 ' HB2' HD11 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -91.08 156.7 17.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 108.314 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.677 ' HG3' ' CD2' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -137.62 136.88 37.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 110.285 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.412 ' C ' ' H ' ' A' ' 70' ' ' GLU . 0.4 OUTLIER -122.48 138.85 54.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.316 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -58.82 -8.89 1.5 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 110.281 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.412 ' H ' ' C ' ' A' ' 68' ' ' ASN . 2.7 tp10 -63.25 -7.16 5.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.276 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.66 11.22 71.54 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.514 1.134 . . . . 0.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -124.33 156.66 36.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 0.762 . . . . 0.0 109.259 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.857 ' CE2' HD13 ' A' ' 23' ' ' ILE . 3.6 m-85 -121.25 168.31 11.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 111.004 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.897 ' HA3' HD13 ' A' ' 45' ' ' LEU . . . -156.95 157.66 28.19 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.443 1.089 . . . . 0.0 111.018 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.898 ' CZ ' ' CE2' ' A' ' 17' ' ' PHE . 3.4 m-85 -104.66 149.84 25.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 0.752 . . . . 0.0 111.033 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.737 ' CG1' HD12 ' A' ' 81' ' ' LEU . 2.1 t -143.22 125.9 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.165 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.446 ' HA ' HD23 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -75.65 138.01 41.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.445 ' HG2' ' CG2' ' A' ' 62' ' ' THR . 0.0 OUTLIER -55.93 -18.38 8.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.1 t -48.06 -57.76 5.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.028 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.77 ' CE1' ' CG2' ' A' ' 36' ' ' THR . 13.8 p90 -115.02 82.78 1.8 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 111.039 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.814 HD23 ' H ' ' A' ' 82' ' ' ALA . 0.3 OUTLIER -166.46 174.08 9.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.814 ' H ' HD23 ' A' ' 81' ' ' LEU . . . -98.68 165.76 11.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.449 ' O ' ' OG1' ' A' ' 29' ' ' THR . 1.1 m-20 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.17 -13.02 56.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.35 -38.2 88.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -62.04 -36.69 82.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.296 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -33.23 75.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.31 -40.76 77.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.88 ' CE1' ' CD2' ' A' ' 17' ' ' PHE . 1.1 t80 -67.17 -52.31 42.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.158 . . . . 0.0 110.995 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.41 ' N ' ' CD2' ' A' ' 13' ' ' PHE . 19.6 ttm180 -59.88 -28.66 67.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 110.289 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.44 ' CE ' ' HD2' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -54.59 -59.0 5.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.258 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.48 ' HG2' ' CD ' ' A' ' 43' ' ' ARG . 0.2 OUTLIER -84.41 -31.65 24.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 1.194 ' O ' ' N ' ' A' ' 19' ' ' TYR . 15.3 m-85 -87.95 29.92 0.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -34.8 6.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 1.194 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -65.15 121.81 15.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 111.012 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -100.48 97.93 8.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.7 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.86 -169.67 15.81 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.468 1.105 . . . . 0.0 110.975 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -102.85 92.78 4.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 0.765 . . . . 0.0 110.298 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.737 HD11 ' CZ ' ' A' ' 13' ' ' PHE . 0.2 OUTLIER -69.02 107.51 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.23 116.82 3.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.09 . . . . 0.0 110.302 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.996 HG11 ' HG2' ' A' ' 54' ' ' GLU . 48.9 t -65.53 99.91 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.418 1.074 . . . . 0.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -90.25 -48.53 7.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 1.127 ' CE2' HG11 ' A' ' 55' ' ' VAL . 31.3 p90 -127.29 86.62 2.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.806 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 68.7 p -71.97 110.1 6.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.01 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.553 HG21 ' CD2' ' A' ' 81' ' ' LEU . 0.6 OUTLIER -88.9 160.88 16.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 110.395 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.429 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -99.84 137.3 38.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 0.0 109.275 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.652 ' CG1' HD12 ' A' ' 35' ' ' ILE . 1.7 t -72.56 122.16 24.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.858 HG23 ' H ' ' A' ' 34' ' ' SER . 10.6 t -76.36 178.57 6.43 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.472 1.107 . . . . 0.0 110.356 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.498 ' HA ' ' HB2' ' A' ' 49' ' ' PRO . 11.4 t -80.64 -16.18 54.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.422 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.858 ' H ' HG23 ' A' ' 32' ' ' THR . 3.3 t -95.26 13.44 25.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.138 . . . . 0.0 110.013 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.692 HG22 ' CA ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -70.6 171.73 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.861 HG23 ' CZ3' ' A' ' 40' ' ' TRP . 2.1 t -70.0 117.93 12.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.393 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.99 -27.74 5.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.008 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.438 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 6.2 ptpp? -104.1 -48.03 3.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.573 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -67.74 124.11 22.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.861 ' CZ3' HG23 ' A' ' 36' ' ' THR . 7.1 m95 -143.93 131.53 21.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 108.023 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.46 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -119.39 159.96 14.51 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.493 1.121 . . . . 0.0 110.932 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.6 p -56.69 -36.34 69.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.772 . . . . 0.0 110.398 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.665 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 4.1 mtm105 -96.5 7.48 46.41 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.125 . . . . 0.0 110.323 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.46 ' CB ' ' H ' ' A' ' 41' ' ' GLY . 0.4 OUTLIER -104.2 163.13 12.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.864 HD23 ' CG1' ' A' ' 47' ' ' VAL . 2.8 tp -98.21 153.78 18.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.601 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 5.3 tt0 -89.27 31.39 0.9 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 110.321 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.864 ' CG1' HD23 ' A' ' 45' ' ' LEU . 25.3 m -63.94 160.54 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.27 155.69 46.59 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.692 ' CA ' HG22 ' A' ' 35' ' ' ILE . 18.3 Cg_endo -74.98 126.01 9.71 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.472 1.775 . . . . 0.0 111.02 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 32' ' ' THR . . . 100.47 16.52 26.75 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.509 1.13 . . . . 0.0 110.964 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.605 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.6 OUTLIER -112.56 172.11 7.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 0.758 . . . . 0.0 110.312 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.2 p -104.9 130.88 52.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.955 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.946 ' C ' HD12 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -140.77 146.38 37.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.303 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.996 ' HG2' HG11 ' A' ' 25' ' ' VAL . 3.6 mt-10 -78.45 129.15 34.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 110.294 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 1.127 HG11 ' CE2' ' A' ' 27' ' ' TYR . 2.9 t -99.09 127.43 51.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.94 HG22 ' H ' ' A' ' 57' ' ' GLN . 2.1 mt -93.35 -138.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.94 ' H ' HG22 ' A' ' 56' ' ' ILE . 16.0 mm100 -94.58 155.65 16.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.32 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.575 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 4.8 p -67.0 120.91 14.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.436 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.519 ' HB ' ' CG ' ' A' ' 63' ' ' LYS . 1.1 m -53.47 -75.38 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.142 . . . . 0.0 110.402 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.476 ' N ' HG22 ' A' ' 59' ' ' THR . 4.2 t0 -105.47 -91.07 0.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.351 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.422 ' N ' ' CG ' ' A' ' 60' ' ' ASP . 13.7 m-20 -117.16 -57.69 2.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.252 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.502 ' CG2' ' HG3' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -118.84 69.45 0.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.364 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.575 ' O ' ' HA ' ' A' ' 58' ' ' THR . 9.8 tppt? -152.54 130.54 11.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.15 . . . . 0.0 109.351 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.854 HG23 HD13 ' A' ' 81' ' ' LEU . 0.1 OUTLIER -117.9 126.82 75.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 1.031 HD12 ' O ' ' A' ' 74' ' ' GLY . 1.5 tp -87.78 128.26 35.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.868 ' SG ' HD13 ' A' ' 53' ' ' LEU . 1.7 t -89.68 155.57 19.13 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.496 1.122 . . . . 0.0 108.307 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.685 ' HG3' ' CD2' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -137.27 136.54 38.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.427 ' C ' ' H ' ' A' ' 70' ' ' GLU . 0.2 OUTLIER -121.73 137.55 54.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.163 . . . . 0.0 109.295 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.29 -8.69 1.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.322 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.427 ' H ' ' C ' ' A' ' 68' ' ' ASN . 2.1 tp10 -63.19 -6.44 4.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 110.342 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 87.13 10.74 70.99 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.521 1.138 . . . . 0.0 111.024 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 15.9 tttt -124.23 156.69 36.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 0.772 . . . . 0.0 109.269 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.737 ' HB2' ' CD1' ' A' ' 13' ' ' PHE . 4.3 m-85 -120.62 168.66 11.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 111.043 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 1.031 ' O ' HD12 ' A' ' 65' ' ' LEU . . . -157.77 159.43 29.89 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.509 1.131 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.891 ' CE2' ' CE2' ' A' ' 17' ' ' PHE . 9.2 m-85 -103.83 151.75 22.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 0.766 . . . . 0.0 111.044 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.707 ' CG1' HD12 ' A' ' 81' ' ' LEU . 1.5 t -143.04 126.59 14.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.574 HD22 ' CD ' ' A' ' 78' ' ' ARG . 0.0 OUTLIER -74.03 136.35 43.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.574 ' CD ' HD22 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -55.58 -19.34 9.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.289 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 30.5 t -47.79 -58.13 4.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.122 . . . . 0.0 110.006 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.746 ' CE1' ' CG2' ' A' ' 36' ' ' THR . 11.3 p90 -114.95 84.51 2.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 111.0 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.972 HD23 ' H ' ' A' ' 82' ' ' ALA . 0.4 OUTLIER -167.48 174.95 7.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 109.251 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.972 ' H ' HD23 ' A' ' 81' ' ' LEU . . . -79.42 172.27 14.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.247 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 109.345 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -82.24 -15.2 53.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.403 ' CB ' ' HG3' ' A' ' 72' ' ' LYS . 1.3 tp10 -63.73 -25.18 68.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.329 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -61.04 -39.9 91.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.095 . . . . 0.0 110.275 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.0 mttm -65.72 -30.81 71.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.406 ' O ' ' HB3' ' A' ' 15' ' ' LYS . 3.8 t70 -76.36 -32.4 58.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.971 ' CE1' ' CD2' ' A' ' 17' ' ' PHE . 33.5 t80 -65.58 -52.83 49.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 111.017 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -59.95 -29.32 68.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.306 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.406 ' HB3' ' O ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -54.44 -59.35 4.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.475 ' HG2' ' CD ' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -84.6 -34.32 23.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 0.0 109.306 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 1.177 ' O ' ' N ' ' A' ' 19' ' ' TYR . 9.2 m-85 -87.95 27.46 1.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 111.031 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -36.31 8.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 1.177 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -63.23 122.13 15.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.994 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -101.13 97.87 8.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.694 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -147.97 -169.81 15.42 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.502 1.127 . . . . 0.0 111.052 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.53 91.7 4.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 0.753 . . . . 0.0 110.263 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.783 HD13 ' CE2' ' A' ' 73' ' ' TYR . 0.2 OUTLIER -66.92 109.27 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.155 . . . . 0.0 109.321 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.476 ' CA ' HH22 ' A' ' 67' ' ' ARG . 0.0 OUTLIER -152.4 116.24 4.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.143 . . . . 0.0 110.28 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.977 HG11 ' HG2' ' A' ' 54' ' ' GLU . 25.7 t -65.9 100.59 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.53 -48.67 6.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 1.164 ' CE2' HG11 ' A' ' 55' ' ' VAL . 29.7 p90 -128.7 88.41 2.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.978 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.753 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 4.0 p -72.25 111.21 7.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.003 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.913 HG21 HD11 ' A' ' 81' ' ' LEU . 1.3 t -88.64 160.76 17.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 110.411 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.818 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 11.1 tmtt? -100.03 138.73 36.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 51' ' ' GLU . 2.1 t -70.57 115.02 9.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.879 HG22 ' H ' ' A' ' 34' ' ' SER . 1.2 m -74.17 136.06 42.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.389 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.561 ' O ' ' HB2' ' A' ' 49' ' ' PRO . 14.6 t -44.53 -17.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.408 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.879 ' H ' HG22 ' A' ' 32' ' ' THR . 0.1 OUTLIER -91.26 13.39 17.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.988 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.676 HG22 ' CA ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -71.52 173.54 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.883 HG23 ' CZ3' ' A' ' 40' ' ' TRP . 1.6 t -71.48 119.66 15.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.436 1.085 . . . . 0.0 110.389 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.437 ' HB3' ' CD ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER -118.19 -27.88 5.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.959 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.444 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 5.0 ptpp? -104.68 -48.07 3.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.577 ' O ' ' OG1' ' A' ' 36' ' ' THR . 0.0 OUTLIER -67.58 124.68 23.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.229 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.883 ' CZ3' HG23 ' A' ' 36' ' ' THR . 6.8 m95 -144.34 128.83 18.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 108.006 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.456 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -118.13 159.77 14.12 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.528 1.142 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 29.4 p -56.6 -36.0 68.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 0.786 . . . . 0.0 110.441 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.675 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 4.0 mtm180 -95.93 6.91 47.75 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.544 1.152 . . . . 0.0 110.305 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.456 ' CB ' ' H ' ' A' ' 41' ' ' GLY . 0.2 OUTLIER -104.37 162.43 13.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.138 . . . . 0.0 109.264 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 1.057 HD23 ' CG1' ' A' ' 47' ' ' VAL . 5.2 tp -97.98 152.72 18.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.143 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.608 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 5.2 tt0 -88.7 31.16 0.85 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.271 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 1.057 ' CG1' HD23 ' A' ' 45' ' ' LEU . 22.0 m -64.4 160.75 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.47 153.62 44.83 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.676 ' CA ' HG22 ' A' ' 35' ' ' ILE . 18.2 Cg_endo -75.04 127.94 11.06 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.529 1.805 . . . . 0.0 110.973 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.43 11.43 44.81 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.496 1.122 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.708 ' O ' HG23 ' A' ' 31' ' ' VAL . 7.0 tp10 -106.41 170.83 7.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.551 0.795 . . . . 0.0 110.321 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.22 131.06 50.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.976 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.929 ' C ' HD12 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -140.51 145.93 37.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.977 ' HG2' HG11 ' A' ' 25' ' ' VAL . 4.3 mt-10 -78.85 131.64 36.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.27 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 1.164 HG11 ' CE2' ' A' ' 27' ' ' TYR . 2.5 t -100.29 126.26 53.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.429 1.08 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.945 HG22 ' H ' ' A' ' 57' ' ' GLN . 2.6 mt -92.93 -136.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.426 1.079 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.945 ' H ' HG22 ' A' ' 56' ' ' ILE . 33.4 mm-40 -93.33 153.65 18.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.287 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.599 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 1.9 p -66.55 120.64 13.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.394 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.71 HG21 ' HD3' ' A' ' 63' ' ' LYS . 1.2 m -54.1 -74.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.404 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.43 ' CG ' ' N ' ' A' ' 61' ' ' ASP . 3.8 t70 -105.16 -91.23 0.39 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.43 ' N ' ' CG ' ' A' ' 60' ' ' ASP . 85.2 m-20 -118.0 -57.66 2.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.14 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.34 68.76 0.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.408 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.71 ' HD3' HG21 ' A' ' 59' ' ' THR . 24.8 tttp -154.75 130.77 10.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.662 HG22 HD22 ' A' ' 81' ' ' LEU . 32.0 m -118.45 131.67 70.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.685 ' CD2' HD12 ' A' ' 56' ' ' ILE . 0.6 OUTLIER -86.31 126.91 34.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.797 ' SG ' HD13 ' A' ' 53' ' ' LEU . 1.6 t -88.77 155.84 19.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 108.288 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.692 ' NH2' HG23 ' A' ' 25' ' ' VAL . 4.2 ttm180 -137.65 146.38 43.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.282 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.668 ' OD1' HD21 ' A' ' 45' ' ' LEU . 5.9 m120 -117.15 134.78 54.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -54.88 -17.43 3.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.328 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -79.06 -4.18 48.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 88.84 23.54 35.38 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.547 1.154 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.403 ' HG3' ' CB ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -110.53 123.28 49.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 0.778 . . . . 0.0 109.279 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.783 ' CE2' HD13 ' A' ' 23' ' ' ILE . 24.0 m-85 -104.0 156.27 18.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 111.034 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.856 ' HA3' HD13 ' A' ' 45' ' ' LEU . . . -156.75 160.26 30.17 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.893 ' CZ ' ' CE2' ' A' ' 17' ' ' PHE . 2.7 m-85 -102.99 149.96 24.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 0.776 . . . . 0.0 110.983 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.2 t -139.95 125.14 20.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.5 ' CD2' ' HD3' ' A' ' 78' ' ' ARG . 0.1 OUTLIER -78.26 141.81 38.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.565 ' HA ' HD23 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -57.17 -20.0 23.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 110.251 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.0 t -50.58 -60.18 3.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 110.01 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.754 ' CE1' ' CG2' ' A' ' 36' ' ' THR . 17.6 p90 -116.54 84.12 2.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.976 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.913 HD11 HG21 ' A' ' 29' ' ' THR . 0.1 OUTLIER -166.6 174.79 8.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.871 ' H ' HD12 ' A' ' 81' ' ' LEU . . . -79.39 173.52 12.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.438 1.086 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.8 mmtm -76.49 -29.64 56.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.24 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.66 -34.63 78.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -68.47 -30.5 69.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 110.272 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.462 ' HE2' HH21 ' A' ' 14' ' ' ARG . 0.0 OUTLIER -59.6 -33.0 70.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.97 -43.05 99.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.822 ' CE2' ' CD2' ' A' ' 17' ' ' PHE . 0.6 OUTLIER -67.74 -52.15 40.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 110.957 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.472 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 9.3 ttp180 -60.06 -28.62 67.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.148 . . . . 0.0 110.353 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.02 -59.15 5.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.444 ' HG2' ' CD ' ' A' ' 43' ' ' ARG . 11.3 tptp -84.63 -32.21 23.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 1.185 ' O ' ' N ' ' A' ' 19' ' ' TYR . 9.0 m-85 -87.33 29.7 0.84 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 111.002 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -35.49 7.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 1.185 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -63.88 121.59 14.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 111.008 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -99.97 98.08 8.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.698 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.67 -169.86 15.89 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.512 1.132 . . . . 0.0 110.975 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -103.22 92.22 4.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 0.754 . . . . 0.0 110.334 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.967 HD13 ' CE2' ' A' ' 73' ' ' TYR . 0.2 OUTLIER -67.7 109.3 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -153.02 116.06 4.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 110.272 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.948 HG11 ' HG2' ' A' ' 54' ' ' GLU . 63.4 t -66.39 99.81 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.64 -47.6 7.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 1.088 ' CE2' HG11 ' A' ' 55' ' ' VAL . 30.5 p90 -125.86 89.53 3.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.754 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 95.0 p -71.95 110.59 6.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.035 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.923 HG21 HD11 ' A' ' 81' ' ' LEU . 1.3 t -89.94 159.38 16.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.411 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.879 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -103.52 137.13 42.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.629 ' CG1' HG21 ' A' ' 35' ' ' ILE . 1.7 t -71.22 121.28 20.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.78 HG23 ' H ' ' A' ' 34' ' ' SER . 13.9 t -75.46 178.46 5.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.416 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.547 ' HA ' ' HB2' ' A' ' 49' ' ' PRO . 2.7 t -80.77 -15.81 55.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.44 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.78 ' H ' HG23 ' A' ' 32' ' ' THR . 8.1 t -96.07 13.67 26.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.011 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.67 HG22 ' CB ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -70.41 170.65 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.849 HG23 ' CZ3' ' A' ' 40' ' ' TRP . 1.7 t -70.33 117.85 12.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.433 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.84 -28.55 5.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.977 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.442 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 0.6 OUTLIER -104.28 -48.07 3.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.569 ' O ' ' OG1' ' A' ' 36' ' ' THR . 0.0 OUTLIER -67.91 125.15 25.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.274 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.849 ' CZ3' HG23 ' A' ' 36' ' ' THR . 7.4 m95 -144.17 131.05 20.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 107.972 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.461 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -118.06 159.87 14.06 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 34.0 p -56.53 -35.69 68.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 0.799 . . . . 0.0 110.399 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.685 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 5.9 mtm180 -95.97 6.62 48.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.331 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.461 ' CB ' ' H ' ' A' ' 41' ' ' GLY . 0.3 OUTLIER -104.41 162.22 13.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.891 HD13 ' HA3' ' A' ' 74' ' ' GLY . 4.3 tp -98.88 157.24 16.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.256 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.593 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 5.5 tt0 -89.35 31.5 0.9 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.789 ' O ' ' CH2' ' A' ' 40' ' ' TRP . 21.5 m -63.65 160.88 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.95 155.6 50.94 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.67 ' CB ' HG22 ' A' ' 35' ' ' ILE . 18.1 Cg_endo -75.04 130.99 13.73 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.531 1.806 . . . . 0.0 110.937 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.6 6.45 52.76 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.456 1.098 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.57 ' O ' HG23 ' A' ' 31' ' ' VAL . 5.6 tt0 -100.28 172.02 7.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 0.782 . . . . 0.0 110.29 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -122.61 128.96 51.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.984 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 1.089 HD22 ' H ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -141.92 154.97 45.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 109.264 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 1.089 ' H ' HD22 ' A' ' 53' ' ' LEU . 2.9 mt-10 -74.71 132.49 41.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 110.306 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 1.088 HG11 ' CE2' ' A' ' 27' ' ' TYR . 2.2 t -101.34 134.17 42.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.944 HG22 ' H ' ' A' ' 57' ' ' GLN . 3.1 mt -92.97 -137.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.944 ' H ' HG22 ' A' ' 56' ' ' ILE . 26.2 mm100 -95.27 157.24 15.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.646 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 2.8 p -66.98 119.42 11.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.386 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.537 HG22 ' N ' ' A' ' 60' ' ' ASP . 0.9 OUTLIER -53.92 -73.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 110.39 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.537 ' N ' HG22 ' A' ' 59' ' ' THR . 3.2 t70 -104.4 -91.29 0.38 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.44 ' N ' ' CG ' ' A' ' 60' ' ' ASP . 4.3 m-20 -117.4 -58.07 2.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.16 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.599 HG21 ' HD2' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -119.21 69.42 0.82 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 110.381 -179.928 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.646 ' O ' ' HA ' ' A' ' 58' ' ' THR . 5.8 ttpt -154.66 130.49 10.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.307 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.667 HG22 HD22 ' A' ' 81' ' ' LEU . 31.5 m -116.93 132.31 67.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.914 HD12 ' O ' ' A' ' 74' ' ' GLY . 13.5 tp -87.72 128.19 35.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.25 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.858 ' SG ' HD22 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -90.84 150.71 21.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 108.318 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.875 ' H ' HD21 ' A' ' 53' ' ' LEU . 1.2 ttt180 -139.31 132.24 29.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.265 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.457 HD22 ' HD2' ' A' ' 72' ' ' LYS . 0.2 OUTLIER -121.4 138.42 54.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -54.99 -11.57 0.67 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 110.342 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.428 ' N ' ' C ' ' A' ' 68' ' ' ASN . 1.2 tt0 -59.75 -9.04 2.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 110.296 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 87.07 10.87 70.89 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.599 ' CD ' HD11 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -124.74 151.73 44.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 0.742 . . . . 0.0 109.32 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.967 ' CE2' HD13 ' A' ' 23' ' ' ILE . 7.4 m-85 -114.37 170.59 8.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.096 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.914 ' O ' HD12 ' A' ' 65' ' ' LEU . . . -157.35 158.03 28.6 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.499 1.125 . . . . 0.0 111.008 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.888 ' CD2' ' CZ ' ' A' ' 17' ' ' PHE . 1.6 m-85 -105.9 152.1 23.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.775 . . . . 0.0 110.988 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 t -142.19 125.71 15.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 77' ' ' LEU . 0.1 OUTLIER -80.46 142.29 34.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.599 ' HD2' HG21 ' A' ' 62' ' ' THR . 0.0 OUTLIER -58.21 -21.14 46.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.266 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.465 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 0.5 OUTLIER -50.06 -59.69 3.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.988 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.772 ' CE1' ' CG2' ' A' ' 36' ' ' THR . 15.6 p90 -117.57 83.26 1.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.923 HD11 HG21 ' A' ' 29' ' ' THR . 0.1 OUTLIER -166.14 174.56 9.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.879 ' HB2' ' O ' ' A' ' 30' ' ' LYS . . . -76.5 173.39 11.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.328 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.46 -14.33 52.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -61.66 -33.95 74.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.271 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.44 ' HG2' ' NH2' ' A' ' 14' ' ' ARG . 6.0 tt0 -64.48 -31.98 73.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 110.294 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.667 ' CE ' HH21 ' A' ' 14' ' ' ARG . 8.9 mmpt? -68.16 -35.46 78.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.733 ' O ' ' HG3' ' A' ' 15' ' ' LYS . 3.2 t70 -59.77 -38.51 82.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.825 ' CE2' ' CD2' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -83.02 -49.98 9.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 111.03 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.667 HH21 ' CE ' ' A' ' 11' ' ' LYS . 4.3 ttp-105 -58.86 -35.65 73.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 110.331 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.733 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -51.67 -57.6 8.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.473 ' CG ' ' HD3' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -83.05 -33.87 26.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.366 179.926 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 1.19 ' O ' ' N ' ' A' ' 19' ' ' TYR . 7.5 m-85 -87.48 29.81 0.85 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.963 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -35.2 7.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 1.19 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -64.3 121.84 15.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 110.979 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -99.55 97.9 8.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.115 . . . . 0.0 109.271 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.698 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.69 -169.72 15.76 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.551 1.157 . . . . 0.0 110.968 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -102.26 92.77 4.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 0.75 . . . . 0.0 110.283 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.852 HG12 HD13 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -68.18 108.53 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.08 116.08 4.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.292 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.933 HG11 ' CG ' ' A' ' 54' ' ' GLU . 60.8 t -66.0 100.19 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -90.62 -49.2 6.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.273 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 1.137 ' CE2' HG11 ' A' ' 55' ' ' VAL . 31.4 p90 -126.95 88.13 2.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.09 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.724 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 70.1 p -71.74 110.89 6.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.981 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.966 HG21 HD11 ' A' ' 81' ' ' LEU . 2.6 t -84.68 160.14 20.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 110.367 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.868 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 0.3 OUTLIER -101.72 135.08 43.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.641 ' CG1' HG21 ' A' ' 35' ' ' ILE . 1.7 t -72.45 120.89 21.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.254 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.897 HG23 ' H ' ' A' ' 34' ' ' SER . 8.2 t -75.91 178.88 5.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.384 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.498 ' HA ' ' HB2' ' A' ' 49' ' ' PRO . 5.3 t -80.8 -15.64 55.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.437 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.897 ' H ' HG23 ' A' ' 32' ' ' THR . 11.4 t -95.88 13.39 26.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.005 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.656 HG22 ' CA ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -70.47 171.32 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.875 ' O ' ' CH2' ' A' ' 40' ' ' TRP . 1.6 t -70.42 117.24 11.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 110.4 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.77 -27.52 5.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.012 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.453 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 1.1 ptpt -104.46 -48.82 3.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.57 ' O ' ' OG1' ' A' ' 36' ' ' THR . 0.0 OUTLIER -68.06 125.47 26.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.875 ' CH2' ' O ' ' A' ' 36' ' ' THR . 7.3 m95 -144.32 130.57 19.69 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.015 -1.105 . . . . 0.0 108.015 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.468 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -118.61 159.6 14.31 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.543 1.152 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 10.7 t -56.37 -35.69 67.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 0.76 . . . . 0.0 110.364 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.669 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 6.7 mtm105 -96.37 7.29 46.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.16 . . . . 0.0 110.278 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.468 ' CB ' ' H ' ' A' ' 41' ' ' GLY . 0.2 OUTLIER -104.86 162.31 13.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.948 HD13 ' HA3' ' A' ' 74' ' ' GLY . 5.0 tp -98.02 154.77 17.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.592 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 6.0 tt0 -89.11 30.54 0.95 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 110.323 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.787 ' O ' ' CH2' ' A' ' 40' ' ' TRP . 19.4 m -63.77 160.04 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.8 mptt -114.68 155.46 46.12 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.656 ' CA ' HG22 ' A' ' 35' ' ' ILE . 18.1 Cg_endo -74.98 126.94 10.31 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.496 1.788 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 32' ' ' THR . . . 101.04 11.45 39.66 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.484 1.115 . . . . 0.0 111.018 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.624 ' O ' HG23 ' A' ' 31' ' ' VAL . 2.8 mp0 -106.87 172.05 7.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 0.753 . . . . 0.0 110.29 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 p -113.17 131.36 55.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.035 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 1.014 HD23 ' O ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -140.47 157.21 45.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.933 ' CG ' HG11 ' A' ' 25' ' ' VAL . 0.9 OUTLIER -81.11 135.31 35.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.338 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 1.137 HG11 ' CE2' ' A' ' 27' ' ' TYR . 2.2 t -104.97 127.91 59.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.968 HG22 ' H ' ' A' ' 57' ' ' GLN . 5.1 mt -93.19 -137.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.252 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.968 ' H ' HG22 ' A' ' 56' ' ' ILE . 28.9 mm100 -93.71 155.2 17.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 110.279 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.64 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 3.0 p -67.3 121.42 15.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 110.415 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.447 ' OG1' ' CE1' ' A' ' 75' ' ' TYR . 1.2 m -54.51 -74.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.41 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.404 ' CG ' ' N ' ' A' ' 61' ' ' ASP . 5.2 t70 -105.47 -91.09 0.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.404 ' N ' ' CG ' ' A' ' 60' ' ' ASP . 4.0 m-20 -117.84 -57.27 2.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.484 HG21 ' HD2' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -118.11 68.83 0.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.427 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.64 ' O ' ' HA ' ' A' ' 58' ' ' THR . 0.0 OUTLIER -155.12 130.91 9.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.272 -179.93 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.653 HG22 HD22 ' A' ' 81' ' ' LEU . 35.1 m -120.04 129.49 75.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.765 ' CD2' HD12 ' A' ' 56' ' ' ILE . 0.2 OUTLIER -87.97 129.13 35.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.633 ' HB2' HD11 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -90.32 155.68 18.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 108.344 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.684 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 16.6 ttp85 -137.85 134.95 35.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.318 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.423 ' C ' ' H ' ' A' ' 70' ' ' GLU . 0.2 OUTLIER -122.12 138.28 54.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -55.91 -10.79 0.84 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.286 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.423 ' H ' ' C ' ' A' ' 68' ' ' ASN . 2.9 tp10 -63.03 -7.96 6.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 110.287 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.23 10.46 74.45 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.482 1.114 . . . . 0.0 110.998 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -120.1 156.79 30.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 0.756 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.725 ' HB2' ' CD2' ' A' ' 13' ' ' PHE . 4.4 m-85 -123.49 167.65 13.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 111.008 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.948 ' HA3' HD13 ' A' ' 45' ' ' LEU . . . -157.21 158.02 28.55 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.564 1.165 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.9 ' CZ ' ' CE2' ' A' ' 17' ' ' PHE . 2.3 m-85 -104.57 153.61 20.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 0.737 . . . . 0.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.6 t -142.87 126.03 13.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 77' ' ' LEU . 0.1 OUTLIER -77.89 140.46 39.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.254 -179.934 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.623 ' HA ' HD23 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -57.4 -20.04 27.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 110.287 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.449 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 13.6 t -50.14 -59.38 3.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.971 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.77 ' CE1' ' CG2' ' A' ' 36' ' ' THR . 17.9 p90 -117.01 83.99 2.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.57 1.169 . . . . 0.0 110.985 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.966 HD11 HG21 ' A' ' 29' ' ' THR . 0.1 OUTLIER -167.07 175.31 7.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.896 ' H ' HD12 ' A' ' 81' ' ' LEU . . . -78.95 172.52 13.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -13.66 37.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.85 -38.72 89.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 110.323 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.49 ' HG2' HH21 ' A' ' 14' ' ' ARG . 3.6 tt0 -68.71 -32.39 72.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 110.28 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.507 ' O ' ' CG ' ' A' ' 15' ' ' LYS . 0.8 OUTLIER -69.48 -34.77 74.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.253 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.726 ' O ' ' HG3' ' A' ' 15' ' ' LYS . 3.6 t70 -59.41 -39.07 82.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.829 ' CE2' ' CD2' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -82.51 -50.62 8.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 110.982 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.579 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 4.4 ttp180 -58.31 -36.63 73.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 110.358 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.726 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -51.81 -57.27 9.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.447 ' HA ' ' CE ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -82.51 -34.7 27.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 1.189 ' O ' ' N ' ' A' ' 19' ' ' TYR . 9.6 m-85 -87.3 29.86 0.83 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.965 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt -35.45 8.3 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 1.189 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -63.64 121.74 14.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 111.066 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -99.16 98.05 9.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.291 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.705 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.41 -169.73 15.6 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.524 1.14 . . . . 0.0 111.038 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -103.0 92.65 4.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 0.782 . . . . 0.0 110.29 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.687 HD13 ' CE2' ' A' ' 73' ' ' TYR . 0.2 OUTLIER -70.38 109.53 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.25 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.452 ' CA ' HH22 ' A' ' 67' ' ' ARG . 42.7 tpt85 -152.87 115.82 4.58 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 110.306 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.739 HG11 ' HG3' ' A' ' 54' ' ' GLU . 40.4 t -66.04 99.26 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.82 -48.46 6.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 1.153 ' CE2' HG11 ' A' ' 55' ' ' VAL . 28.5 p90 -128.19 87.73 2.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.702 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 77.5 p -72.28 109.27 5.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.576 1.172 . . . . 0.0 109.961 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.92 HG21 HD11 ' A' ' 81' ' ' LEU . 1.3 t -85.62 159.56 19.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 110.414 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.881 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 0.7 OUTLIER -101.82 136.86 40.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.645 ' CG1' HG21 ' A' ' 35' ' ' ILE . 1.7 t -70.72 121.72 21.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.783 HG23 ' H ' ' A' ' 34' ' ' SER . 11.1 t -76.06 178.84 6.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.425 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.493 ' HA ' ' HB2' ' A' ' 49' ' ' PRO . 12.1 t -80.31 -18.92 47.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.385 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.783 ' H ' HG23 ' A' ' 32' ' ' THR . 48.4 t -92.94 13.46 20.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.033 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.668 HG22 ' CA ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -70.79 171.58 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.854 HG23 ' CZ3' ' A' ' 40' ' ' TRP . 1.7 t -70.94 118.41 13.68 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.478 1.111 . . . . 0.0 110.385 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.93 -27.65 5.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.012 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.447 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 3.1 pttt -104.41 -48.33 3.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.561 ' O ' ' OG1' ' A' ' 36' ' ' THR . 0.0 OUTLIER -67.79 124.63 23.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.356 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.854 ' CZ3' HG23 ' A' ' 36' ' ' THR . 6.8 m95 -144.03 129.35 18.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 108.039 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.469 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -118.37 159.86 14.14 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.51 1.131 . . . . 0.0 110.979 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.7 t -56.61 -35.88 68.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 0.755 . . . . 0.0 110.423 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.676 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 11.1 mtm180 -96.31 7.12 47.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 110.313 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.469 ' CB ' ' H ' ' A' ' 41' ' ' GLY . 0.3 OUTLIER -104.19 163.23 12.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 1.033 HD23 ' CG1' ' A' ' 47' ' ' VAL . 7.4 tp -98.64 153.06 18.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.596 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 4.7 tt0 -88.45 30.76 0.86 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.557 1.161 . . . . 0.0 110.284 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 1.033 ' CG1' HD23 ' A' ' 45' ' ' LEU . 20.4 m -64.28 160.91 2.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.77 156.2 45.25 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.668 ' CA ' HG22 ' A' ' 35' ' ' ILE . 18.3 Cg_endo -75.02 124.88 8.94 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.517 1.798 . . . . 0.0 110.982 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 32' ' ' THR . . . 101.37 10.13 42.46 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.485 1.116 . . . . 0.0 110.969 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.597 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.4 OUTLIER -104.26 171.94 7.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 0.777 . . . . 0.0 110.259 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.8 p -108.72 131.75 54.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 110.009 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 1.097 HD23 ' O ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -141.14 152.24 44.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.289 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.739 ' HG3' HG11 ' A' ' 25' ' ' VAL . 1.4 mp0 -79.73 135.12 36.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.339 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 1.153 HG11 ' CE2' ' A' ' 27' ' ' TYR . 2.4 t -105.07 125.59 60.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.981 HG22 ' H ' ' A' ' 57' ' ' GLN . 4.2 mt -91.82 -136.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.981 ' H ' HG22 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -93.98 154.21 17.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 0.0 110.28 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.604 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 2.3 p -67.33 121.21 15.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 110.382 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.472 ' HB ' ' CG ' ' A' ' 63' ' ' LYS . 1.3 m -54.3 -75.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.412 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.445 ' OD2' ' N ' ' A' ' 61' ' ' ASP . 4.2 t70 -105.77 -91.56 0.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.445 ' N ' ' OD2' ' A' ' 60' ' ' ASP . 10.2 m-20 -117.37 -57.37 2.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.477 HG21 ' HD2' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -117.91 68.74 0.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.417 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.604 ' O ' ' HA ' ' A' ' 58' ' ' THR . 0.7 OUTLIER -155.17 130.12 9.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 109.281 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.649 HG22 HD22 ' A' ' 81' ' ' LEU . 34.8 m -119.47 129.59 75.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.655 ' CD2' HD12 ' A' ' 56' ' ' ILE . 0.4 OUTLIER -86.97 124.83 33.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.258 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.751 ' SG ' HD22 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -90.03 158.59 17.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 108.289 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.695 ' NH2' HG23 ' A' ' 25' ' ' VAL . 7.2 ttm180 -134.24 144.58 48.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.302 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.422 ' ND2' ' HB3' ' A' ' 70' ' ' GLU . 55.0 t30 -118.87 130.44 55.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.137 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -54.14 -16.62 2.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.321 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.422 ' HB3' ' ND2' ' A' ' 68' ' ' ASN . 28.9 tt0 -71.69 -5.52 34.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.296 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 87.77 15.34 61.61 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.526 1.141 . . . . 0.0 110.979 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 20.1 ttpt -117.27 123.61 47.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 0.751 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.687 ' CE2' HD13 ' A' ' 23' ' ' ILE . 5.1 m-85 -95.61 165.93 12.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 111.028 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.665 ' HA3' HD13 ' A' ' 45' ' ' LEU . . . -156.88 158.5 28.85 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.472 1.107 . . . . 0.0 110.963 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.853 ' CZ ' ' CE2' ' A' ' 17' ' ' PHE . 3.0 m-85 -104.6 152.3 22.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 0.744 . . . . 0.0 110.982 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.437 ' O ' ' CD ' ' A' ' 63' ' ' LYS . 2.4 t -142.66 125.79 14.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 77' ' ' LEU . 0.1 OUTLIER -78.4 141.93 37.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.602 ' HA ' HD23 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -57.33 -20.58 29.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.445 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -50.78 -60.11 3.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.961 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.756 ' CE1' ' CG2' ' A' ' 36' ' ' THR . 19.7 p90 -116.58 83.78 2.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 111.01 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.92 HD11 HG21 ' A' ' 29' ' ' THR . 0.1 OUTLIER -166.06 175.74 8.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.885 ' H ' HD12 ' A' ' 81' ' ' LEU . . . -78.76 173.12 12.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.328 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.3 ttpt -82.61 -15.66 51.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 109.282 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.466 ' HG2' ' CG ' ' A' ' 72' ' ' LYS . 3.9 tp10 -61.87 -33.51 74.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 110.332 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -62.3 -42.13 99.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.313 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.77 -38.65 73.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.341 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.434 ' O ' ' HB3' ' A' ' 15' ' ' LYS . 11.8 t70 -71.44 -32.41 68.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.934 ' CE1' ' CD2' ' A' ' 17' ' ' PHE . 23.7 t80 -65.23 -52.42 54.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.15 . . . . 0.0 110.942 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 -59.41 -29.72 67.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.304 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.434 ' HB3' ' O ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -53.85 -58.87 5.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.457 ' HG2' ' CD ' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -84.68 -33.66 23.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 1.196 ' O ' ' N ' ' A' ' 19' ' ' TYR . 23.1 m-85 -88.1 27.23 1.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -35.38 7.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 1.196 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -64.88 122.64 17.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 110.981 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -100.95 97.83 8.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.69 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.47 -169.85 15.75 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.535 1.147 . . . . 0.0 110.984 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 55.9 tt0 -102.23 92.74 4.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 0.764 . . . . 0.0 110.358 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.862 HG12 HD13 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -67.01 108.67 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -154.63 117.32 4.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.3 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.919 HG21 ' CG ' ' A' ' 54' ' ' GLU . 7.2 p -66.54 100.37 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -89.95 -49.4 6.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 1.151 ' CE2' HG11 ' A' ' 55' ' ' VAL . 30.2 p90 -126.94 86.63 2.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.965 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.703 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 56.0 p -72.02 109.96 6.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.009 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.871 HG21 HD11 ' A' ' 81' ' ' LEU . 2.1 t -86.71 161.35 18.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.413 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.864 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 4.0 tttm -98.86 136.75 38.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 109.347 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.686 HG23 ' O ' ' A' ' 51' ' ' GLU . 2.0 t -70.39 118.62 15.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.627 ' O ' ' HB ' ' A' ' 35' ' ' ILE . 92.4 m -74.55 137.07 42.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.401 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.573 ' O ' ' HB2' ' A' ' 49' ' ' PRO . 8.9 t -46.85 -14.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.405 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.504 ' N ' ' C ' ' A' ' 32' ' ' THR . 1.6 t -95.77 13.84 25.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.955 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.707 HG22 ' CA ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -70.87 173.45 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.9 HG23 ' CZ3' ' A' ' 40' ' ' TRP . 2.1 t -70.38 120.72 16.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.413 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.54 -27.72 5.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 109.961 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.433 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 1.2 pttt -104.09 -47.55 4.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.26 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.598 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -67.48 124.14 22.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.9 ' CZ3' HG23 ' A' ' 36' ' ' THR . 5.8 m95 -143.98 129.57 19.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 108.008 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.443 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -118.15 159.88 14.07 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.547 1.154 . . . . 0.0 111.002 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.9 t -56.93 -36.87 70.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.779 . . . . 0.0 110.39 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.634 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 5.2 mtm180 -96.33 7.06 47.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 110.279 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.443 ' CB ' ' H ' ' A' ' 41' ' ' GLY . 0.2 OUTLIER -104.03 162.73 12.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.253 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 1.07 HD23 ' CG1' ' A' ' 47' ' ' VAL . 7.8 tp -97.81 149.97 21.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.531 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 3.5 tt0 -88.2 31.2 0.81 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 110.278 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 1.07 ' CG1' HD23 ' A' ' 45' ' ' LEU . 29.3 m -64.12 161.16 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.128 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.65 154.85 43.78 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.707 ' CA ' HG22 ' A' ' 35' ' ' ILE . 18.2 Cg_endo -75.02 128.49 11.52 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.483 1.78 . . . . 0.0 110.966 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.19 12.61 41.82 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.452 1.095 . . . . 0.0 111.0 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.686 ' O ' HG23 ' A' ' 31' ' ' VAL . 1.7 mp0 -107.38 172.67 6.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 0.772 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.7 p -111.16 131.04 55.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.031 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 1.029 HD23 ' O ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -139.3 156.69 46.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.919 ' CG ' HG21 ' A' ' 25' ' ' VAL . 0.5 OUTLIER -81.79 133.12 35.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 110.305 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 1.151 HG11 ' CE2' ' A' ' 27' ' ' TYR . 2.3 t -103.46 126.54 57.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.985 HG22 ' H ' ' A' ' 57' ' ' GLN . 4.8 mt -92.15 -137.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.985 ' H ' HG22 ' A' ' 56' ' ' ILE . 29.9 mm-40 -94.59 155.03 17.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.304 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.62 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 6.6 p -67.53 122.48 18.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 110.425 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.48 ' HB ' ' CG ' ' A' ' 63' ' ' LYS . 1.3 m -55.34 -75.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.367 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.407 ' CG ' ' N ' ' A' ' 61' ' ' ASP . 4.7 t70 -105.72 -91.18 0.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.407 ' N ' ' CG ' ' A' ' 60' ' ' ASP . 6.6 m-20 -117.82 -57.05 2.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.42 HG22 ' CB ' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -117.52 68.3 0.75 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 110.415 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.62 ' O ' ' HA ' ' A' ' 58' ' ' THR . 0.1 OUTLIER -155.54 131.6 10.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 -179.918 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.71 ' O ' HG12 ' A' ' 76' ' ' VAL . 22.6 m -121.57 130.61 74.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.24 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.758 ' CD2' HD12 ' A' ' 56' ' ' ILE . 0.5 OUTLIER -87.81 124.47 33.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.573 1.171 . . . . 0.0 109.325 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.758 ' SG ' HD22 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -89.68 157.42 18.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 108.265 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.683 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 0.4 OUTLIER -134.67 145.83 48.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.319 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -118.63 130.77 56.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -54.2 -18.52 3.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.464 1.103 . . . . 0.0 110.261 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -73.23 -4.77 35.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 110.288 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 88.21 17.49 57.37 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.538 1.149 . . . . 0.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.466 ' CG ' ' HG2' ' A' ' 9' ' ' GLU . 9.2 ttpt -113.6 124.17 51.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 0.779 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.8 ' CE2' HD13 ' A' ' 23' ' ' ILE . 6.3 m-85 -101.72 161.0 13.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.995 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.574 ' HA3' HD13 ' A' ' 45' ' ' LEU . . . -156.6 159.55 29.59 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.539 1.149 . . . . 0.0 110.97 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.869 ' CZ ' ' CE2' ' A' ' 17' ' ' PHE . 2.4 m-85 -104.06 150.16 24.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.71 HG12 ' O ' ' A' ' 64' ' ' VAL . 1.3 p -138.66 125.21 25.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.416 HD23 ' H ' ' A' ' 78' ' ' ARG . 0.1 OUTLIER -77.65 141.89 39.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.608 ' HA ' HD23 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -56.96 -21.33 29.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.165 . . . . 0.0 110.3 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.429 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 27.7 t -50.31 -59.75 3.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 109.94 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.767 ' CE1' ' CG2' ' A' ' 36' ' ' THR . 20.6 p90 -116.46 84.2 2.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 111.042 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.952 HD12 ' H ' ' A' ' 82' ' ' ALA . 0.1 OUTLIER -166.05 174.48 9.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.952 ' H ' HD12 ' A' ' 81' ' ' LEU . . . -83.16 173.7 11.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.552 ' OD1' ' N ' ' A' ' 83' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.7 mttm -83.32 -12.04 57.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.0 -24.92 66.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.263 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -61.4 -41.65 97.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.346 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.7 mmtm -70.64 -33.77 71.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.448 ' O ' ' HB3' ' A' ' 15' ' ' LYS . 4.6 t70 -74.92 -31.53 61.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.968 ' CE2' ' CD2' ' A' ' 17' ' ' PHE . 1.6 t80 -62.56 -53.57 52.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 111.026 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.448 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 13.2 ptm180 -60.47 -29.21 68.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.306 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.448 ' HB3' ' O ' ' A' ' 12' ' ' ASP . 0.4 OUTLIER -54.49 -58.71 6.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.412 ' HG2' ' HD3' ' A' ' 43' ' ' ARG . 1.1 tttt -84.84 -30.67 24.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 1.219 ' O ' ' N ' ' A' ' 19' ' ' TYR . 6.5 m-85 -87.21 29.4 0.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 111.013 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -34.64 6.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 1.219 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -65.03 122.01 16.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.969 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -100.67 98.02 8.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.27 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.694 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.49 -169.89 15.81 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.526 1.141 . . . . 0.0 110.957 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -102.01 91.83 4.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 0.74 . . . . 0.0 110.337 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.814 HD13 ' CE2' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -66.31 108.66 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.429 ' H ' HG23 ' A' ' 56' ' ' ILE . 0.2 OUTLIER -154.41 146.37 23.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.335 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.997 HG11 ' CG ' ' A' ' 54' ' ' GLU . 32.7 t -95.5 99.48 9.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -90.79 -48.7 6.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 1.153 ' CE2' HG11 ' A' ' 55' ' ' VAL . 30.0 p90 -126.6 87.43 2.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.993 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.714 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 43.0 p -71.08 111.73 6.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.98 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.697 HG22 ' CG2' ' A' ' 55' ' ' VAL . 1.3 t -90.99 161.1 15.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 110.409 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.748 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 1.4 ttmm -99.86 138.17 37.31 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.705 HG23 ' O ' ' A' ' 51' ' ' GLU . 1.7 t -71.2 121.51 21.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.885 HG22 ' H ' ' A' ' 34' ' ' SER . 1.3 m -74.7 134.93 41.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.397 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.544 ' O ' ' HB2' ' A' ' 49' ' ' PRO . 8.8 t -46.13 -15.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.408 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.885 ' H ' HG22 ' A' ' 32' ' ' THR . 1.4 p -95.68 13.4 26.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.978 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.714 HG22 ' CA ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -71.08 172.92 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.942 HG23 ' CZ3' ' A' ' 40' ' ' TRP . 2.2 t -70.52 121.95 18.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.409 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.458 ' HB3' ' CD ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER -118.58 -27.76 5.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.948 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.431 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 5.3 ptpt -104.68 -47.5 4.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.35 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.589 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -67.7 125.08 25.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.942 ' CZ3' HG23 ' A' ' 36' ' ' THR . 5.7 m95 -144.05 134.37 24.49 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.508 ' H ' ' HB3' ' A' ' 44' ' ' ASP . . . -118.96 158.67 14.76 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.5 t -58.38 -36.55 73.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 110.46 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.625 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 1.1 mtm-85 -95.0 6.81 48.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.1 . . . . 0.0 110.316 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.508 ' HB3' ' H ' ' A' ' 41' ' ' GLY . 0.0 OUTLIER -105.79 163.36 12.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.908 HD13 ' HA3' ' A' ' 74' ' ' GLY . 4.0 tp -97.74 155.1 17.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.342 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.555 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 5.6 tt0 -88.26 33.09 0.74 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.557 1.161 . . . . 0.0 110.328 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.809 ' O ' ' CH2' ' A' ' 40' ' ' TRP . 27.6 m -62.92 161.5 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.87 152.96 48.07 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.316 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.714 ' CA ' HG22 ' A' ' 35' ' ' ILE . 18.3 Cg_endo -75.03 131.42 14.23 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.512 1.796 . . . . 0.0 110.98 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 95.29 9.81 57.66 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.446 1.091 . . . . 0.0 111.003 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.705 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -104.52 172.29 6.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 0.791 . . . . 0.0 110.307 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -113.34 129.86 56.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.026 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 1.059 HD23 ' O ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -140.42 157.09 46.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 0.0 109.341 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.997 ' CG ' HG11 ' A' ' 25' ' ' VAL . 0.4 OUTLIER -79.46 134.68 36.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.119 . . . . 0.0 110.273 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 1.153 HG11 ' CE2' ' A' ' 27' ' ' TYR . 2.3 t -103.28 126.65 57.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.997 HG22 ' H ' ' A' ' 57' ' ' GLN . 7.7 mt -93.21 -137.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.997 ' H ' HG22 ' A' ' 56' ' ' ILE . 13.2 tt0 -94.77 154.05 17.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.282 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.611 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 3.3 p -66.66 121.38 15.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.398 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.517 ' OG1' ' CE1' ' A' ' 75' ' ' TYR . 1.3 m -54.42 -75.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.395 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.427 ' CG ' ' N ' ' A' ' 61' ' ' ASP . 3.7 t70 -105.59 -91.25 0.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.163 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.427 ' N ' ' CG ' ' A' ' 60' ' ' ASP . 61.9 m-20 -117.68 -57.43 2.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.626 HG22 ' CB ' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -117.37 69.07 0.76 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 110.373 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.611 ' O ' ' HA ' ' A' ' 58' ' ' THR . 1.9 tppt? -156.38 130.35 8.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 1.001 ' O ' HG12 ' A' ' 76' ' ' VAL . 31.9 m -118.91 132.05 69.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.982 HD12 ' O ' ' A' ' 74' ' ' GLY . 16.1 tp -88.11 127.31 35.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.606 ' HB2' HD11 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -91.16 155.82 18.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 108.309 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.677 ' HG3' ' CD2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -137.9 136.56 37.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.283 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.605 ' ND2' HD21 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -121.98 142.47 50.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 109.329 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.14 -13.57 0.87 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 110.256 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.413 ' N ' ' C ' ' A' ' 68' ' ' ASN . 2.0 tp10 -64.92 -7.24 10.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 85.0 -0.18 89.06 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.538 1.149 . . . . 0.0 110.988 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.48 ' HE3' HD11 ' A' ' 45' ' ' LEU . 3.4 ttpt -103.46 156.76 17.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 0.766 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.814 ' CE2' HD13 ' A' ' 23' ' ' ILE . 2.3 m-85 -124.99 165.74 17.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 110.968 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.982 ' O ' HD12 ' A' ' 65' ' ' LEU . . . -155.52 159.04 28.92 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.49 1.119 . . . . 0.0 110.979 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.855 ' CE2' ' CE2' ' A' ' 17' ' ' PHE . 3.5 m-85 -104.37 152.92 21.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 0.776 . . . . 0.0 111.03 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 1.001 HG12 ' O ' ' A' ' 64' ' ' VAL . 11.8 p -138.94 125.96 25.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.34 140.32 41.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.626 ' CB ' HG22 ' A' ' 62' ' ' THR . 0.0 OUTLIER -57.8 -20.72 37.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 110.319 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.463 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 12.2 t -50.78 -59.69 3.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.0 110.0 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.729 ' CE1' ' CG2' ' A' ' 36' ' ' THR . 10.6 p90 -117.04 83.57 2.0 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 111.017 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.814 HD12 ' H ' ' A' ' 82' ' ' ALA . 0.1 OUTLIER -166.01 174.72 9.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.814 ' H ' HD12 ' A' ' 81' ' ' LEU . . . -77.52 173.29 12.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.8 mtmt -62.37 -11.44 15.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 109.333 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -59.75 -25.4 64.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.285 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -61.18 -38.63 87.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.268 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.03 -29.66 66.77 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.776 ' O ' ' HG3' ' A' ' 15' ' ' LYS . 11.9 t70 -61.42 -31.54 71.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.887 ' CE2' ' CD2' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -81.45 -49.56 10.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 111.022 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.576 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 1.8 ttm180 -58.48 -36.65 74.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 110.335 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.776 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -51.09 -56.87 10.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.457 ' N ' ' HD3' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -83.29 -33.88 25.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 109.303 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 1.191 ' O ' ' N ' ' A' ' 19' ' ' TYR . 11.2 m-85 -87.68 29.5 0.89 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.985 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -34.85 7.1 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 1.191 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -64.79 122.13 16.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 111.023 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -99.54 98.13 9.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.692 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.64 -170.05 16.05 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.565 1.166 . . . . 0.0 110.956 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -100.44 92.49 5.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 0.781 . . . . 0.0 110.285 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.936 HD13 ' CE2' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -69.3 108.18 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.265 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.427 ' NH1' ' HB2' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -154.4 117.61 4.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.984 HG11 ' OE2' ' A' ' 54' ' ' GLU . 7.5 p -65.91 100.4 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.405 ' HA ' HD23 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -89.87 -49.59 6.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 1.117 ' CE2' HG11 ' A' ' 55' ' ' VAL . 36.6 p90 -128.15 87.12 2.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 111.032 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.739 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 64.3 p -73.01 110.53 7.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 109.976 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' THR . . . . . 1.067 HG21 HD21 ' A' ' 81' ' ' LEU . 1.3 t -86.08 160.74 19.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.394 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.608 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 0.6 OUTLIER -100.79 136.85 39.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.659 ' CG1' HD12 ' A' ' 35' ' ' ILE . 1.6 t -72.8 129.54 35.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.52 ' O ' ' N ' ' A' ' 50' ' ' GLY . 3.3 t -81.23 178.68 8.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.374 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.489 ' HA ' ' HB2' ' A' ' 49' ' ' PRO . 4.2 t -81.26 -16.19 53.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 110.4 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.9 t -97.46 14.07 27.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 0.0 109.99 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.689 HG22 ' CA ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -70.22 171.72 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 109.315 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.889 HG23 ' CZ3' ' A' ' 40' ' ' TRP . 3.4 t -69.05 117.7 11.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 110.365 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.408 ' HB3' ' HD3' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -118.52 -27.99 5.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.974 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.43 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 5.4 ptpp? -103.4 -47.69 4.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.565 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -67.78 123.8 21.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.137 . . . . 0.0 109.295 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.889 ' CZ3' HG23 ' A' ' 36' ' ' THR . 7.1 m95 -143.74 129.65 19.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 108.022 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.447 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -118.63 158.96 14.57 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.567 1.167 . . . . 0.0 111.02 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.3 t -56.46 -34.47 66.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.544 0.79 . . . . 0.0 110.429 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.634 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 6.9 mtm180 -96.67 6.11 49.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.13 . . . . 0.0 110.298 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.447 ' CB ' ' H ' ' A' ' 41' ' ' GLY . 0.2 OUTLIER -104.65 162.68 13.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.329 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.86 HD23 ' CG1' ' A' ' 47' ' ' VAL . 6.2 tp -98.03 154.54 17.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.609 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 5.6 tt0 -88.98 31.64 0.85 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 110.344 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.86 ' CG1' HD23 ' A' ' 45' ' ' LEU . 21.5 m -64.3 160.97 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.133 . . . . 0.0 109.313 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.54 156.68 45.73 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.689 ' CA ' HG22 ' A' ' 35' ' ' ILE . 18.3 Cg_endo -74.98 125.48 9.36 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.528 1.804 . . . . 0.0 111.023 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 32' ' ' THR . . . 100.52 13.91 33.99 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.646 ' O ' HG23 ' A' ' 31' ' ' VAL . 3.3 tt0 -109.66 172.41 6.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 0.778 . . . . 0.0 110.279 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -109.95 131.67 54.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.976 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 1.064 HD23 ' O ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -139.83 152.94 46.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.268 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.984 ' OE2' HG11 ' A' ' 25' ' ' VAL . 3.8 mt-10 -79.22 132.88 36.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.115 . . . . 0.0 110.329 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 1.117 HG11 ' CE2' ' A' ' 27' ' ' TYR . 2.5 t -104.24 127.13 58.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.342 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.985 HG22 ' H ' ' A' ' 57' ' ' GLN . 5.2 mt -92.78 -137.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.985 ' H ' HG22 ' A' ' 56' ' ' ILE . 29.2 mm100 -94.27 154.97 17.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.282 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.614 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 4.5 p -67.27 121.26 15.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 110.374 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.474 ' HB ' ' HB3' ' A' ' 63' ' ' LYS . 1.2 m -54.01 -75.35 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.093 . . . . 0.0 110.42 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.417 ' CG ' ' N ' ' A' ' 61' ' ' ASP . 4.1 t0 -105.56 -91.61 0.39 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.417 ' N ' ' CG ' ' A' ' 60' ' ' ASP . 0.5 OUTLIER -117.35 -57.39 2.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.474 HG21 ' CD ' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -117.67 68.87 0.76 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 110.415 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.614 ' O ' ' HA ' ' A' ' 58' ' ' THR . 2.5 tppp? -154.83 130.03 9.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.357 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.564 HG12 ' OH ' ' A' ' 27' ' ' TYR . 8.0 m -120.21 127.37 75.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.806 ' CD2' HD12 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -87.61 129.17 35.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.785 ' SG ' HD22 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -90.76 157.6 17.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 108.299 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.733 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -134.57 145.26 48.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 110.32 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -119.02 133.65 55.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 33.8 tp10 -54.37 -18.06 3.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.303 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -76.66 -4.34 42.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.312 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 88.61 11.61 65.8 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.511 1.132 . . . . 0.0 110.967 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.3 ttpt -102.25 123.45 46.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 0.757 . . . . 0.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.936 ' CE2' HD13 ' A' ' 23' ' ' ILE . 4.8 m-85 -105.86 160.07 15.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.468 ' HA3' HD13 ' A' ' 45' ' ' LEU . . . -157.0 159.33 29.55 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.889 ' CZ ' ' CE2' ' A' ' 17' ' ' PHE . 2.8 m-85 -102.53 153.19 20.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 0.743 . . . . 0.0 111.064 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.454 ' O ' ' CD ' ' A' ' 63' ' ' LYS . 2.2 t -142.42 124.97 13.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.461 HD23 ' H ' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -74.21 143.14 45.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 109.328 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.474 ' CD ' HG21 ' A' ' 62' ' ' THR . 0.0 OUTLIER -56.58 -21.07 24.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.142 . . . . 0.0 110.316 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.411 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 11.6 t -49.7 -59.42 3.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.034 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.723 ' CE1' ' CG2' ' A' ' 36' ' ' THR . 18.8 p90 -116.31 80.36 1.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 111.013 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 1.147 HD22 ' N ' ' A' ' 82' ' ' ALA . 0.3 OUTLIER -166.68 142.37 4.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 109.296 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 1.147 ' N ' HD22 ' A' ' 81' ' ' LEU . . . -53.46 168.07 0.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.974 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -81.8 -13.0 58.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -69.15 -25.65 64.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.324 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -61.71 -31.42 71.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.091 . . . . 0.0 110.316 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.645 ' HE3' HH21 ' A' ' 14' ' ' ARG . 10.1 mmtp -65.56 -32.93 74.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -62.35 -39.35 92.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.918 ' CE2' ' CD2' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -67.73 -52.41 37.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.981 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.645 HH21 ' HE3' ' A' ' 11' ' ' LYS . 1.7 ttp-105 -59.62 -28.34 67.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.61 -59.16 5.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.474 ' CG ' ' HD3' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -85.05 -29.81 24.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 1.195 ' O ' ' N ' ' A' ' 19' ' ' TYR . 9.5 m-85 -88.02 29.54 0.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 111.033 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -34.96 6.91 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 1.195 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -65.36 122.73 17.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.971 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -101.58 98.02 8.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.683 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.47 -170.32 16.22 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -100.55 92.67 5.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 0.769 . . . . 0.0 110.255 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.883 HG12 HD13 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -70.74 108.54 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -154.56 121.24 5.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 110.325 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 1.097 HG21 ' CG ' ' A' ' 54' ' ' GLU . 3.6 p -66.61 99.55 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.29 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.08 -48.0 7.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 1.021 ' CE2' HG11 ' A' ' 55' ' ' VAL . 37.5 p90 -126.45 88.51 2.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.67 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 13.5 t -73.65 109.67 7.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 109.982 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.775 HG21 HD21 ' A' ' 81' ' ' LEU . 0.7 OUTLIER -93.68 161.37 14.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.405 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.792 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 0.1 OUTLIER -101.93 139.24 37.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 51' ' ' GLU . 1.5 t -71.91 139.51 19.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.842 HG22 ' H ' ' A' ' 34' ' ' SER . 1.2 m -84.43 133.1 34.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.391 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.551 ' O ' ' HB2' ' A' ' 49' ' ' PRO . 5.9 t -47.53 -11.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.373 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.842 ' H ' HG22 ' A' ' 32' ' ' THR . 0.1 OUTLIER -104.15 15.5 28.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 110.043 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.743 HG22 ' CA ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -70.02 173.88 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.901 HG23 ' CZ3' ' A' ' 40' ' ' TRP . 5.4 t -68.61 119.63 13.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.401 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.468 ' OG ' ' HG3' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -116.31 -26.89 7.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.013 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.451 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -103.26 -49.07 3.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.326 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.478 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -66.69 124.89 24.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.901 ' CZ3' HG23 ' A' ' 36' ' ' THR . 8.1 m95 -144.25 140.03 29.0 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.455 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -119.65 160.81 14.37 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.477 1.111 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.3 m -58.17 -37.11 74.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 0.762 . . . . 0.0 110.382 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.63 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 1.2 mtm180 -98.12 9.72 42.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.245 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.455 ' CB ' ' H ' ' A' ' 41' ' ' GLY . 0.4 OUTLIER -101.97 162.62 12.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 109.332 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.882 HD23 ' CG1' ' A' ' 47' ' ' VAL . 6.7 tp -98.13 154.7 17.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.57 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 5.6 tt0 -88.92 32.74 0.8 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.281 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.882 ' CG1' HD23 ' A' ' 45' ' ' LEU . 22.1 m -64.04 153.06 7.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.54 156.43 35.9 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.276 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.743 ' CA ' HG22 ' A' ' 35' ' ' ILE . 18.2 Cg_endo -74.97 127.89 11.07 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.489 1.784 . . . . 0.0 110.972 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 97.55 12.19 48.63 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.681 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -99.66 171.74 7.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 0.757 . . . . 0.0 110.285 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.3 p -131.73 126.32 34.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 110.031 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.932 HD21 ' HB3' ' A' ' 66' ' ' CYS . 0.0 OUTLIER -140.95 170.12 16.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 1.097 ' CG ' HG21 ' A' ' 25' ' ' VAL . 0.4 OUTLIER -77.01 132.2 38.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 110.285 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 1.021 HG11 ' CE2' ' A' ' 27' ' ' TYR . 2.1 t -103.53 132.76 49.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.965 HG22 ' H ' ' A' ' 57' ' ' GLN . 5.0 mt -91.62 -140.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.965 ' H ' HG22 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -96.77 157.57 15.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.276 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.656 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 8.1 p -67.91 127.98 34.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.087 . . . . 0.0 110.401 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.714 HG21 ' HD3' ' A' ' 63' ' ' LYS . 2.4 m -58.55 -75.63 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.388 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.407 ' CG ' ' N ' ' A' ' 61' ' ' ASP . 5.5 t0 -105.65 -92.15 0.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.407 ' N ' ' CG ' ' A' ' 60' ' ' ASP . 45.8 m-20 -117.91 -56.56 2.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.797 HG22 ' CB ' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -115.02 67.09 0.69 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.421 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.714 ' HD3' HG21 ' A' ' 59' ' ' THR . 18.4 tttp -158.69 131.15 6.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.424 1.077 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 1.034 ' O ' HG12 ' A' ' 76' ' ' VAL . 6.0 m -123.21 130.65 74.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.82 HD12 ' O ' ' A' ' 74' ' ' GLY . 12.3 tp -88.13 119.25 28.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.932 ' HB3' HD21 ' A' ' 53' ' ' LEU . 63.0 m -97.26 157.99 15.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.421 1.076 . . . . 0.0 108.272 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.661 ' HG3' ' CD2' ' A' ' 73' ' ' TYR . 3.5 ttp180 -134.4 144.86 48.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.262 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.624 ' OD1' HD21 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -119.08 140.56 49.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -54.92 -14.4 1.45 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.439 1.087 . . . . 0.0 110.274 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -59.12 -9.65 2.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.543 1.152 . . . . 0.0 110.303 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.13 15.02 65.57 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.494 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 5.0 tttt -122.86 156.03 35.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 0.79 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.805 ' CE2' HD13 ' A' ' 23' ' ' ILE . 26.6 m-85 -114.88 160.57 19.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 110.98 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.82 ' O ' HD12 ' A' ' 65' ' ' LEU . . . -156.26 158.86 28.98 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.509 1.131 . . . . 0.0 111.023 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.887 ' CD2' ' CZ ' ' A' ' 17' ' ' PHE . 2.4 m-85 -104.96 151.81 23.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 0.76 . . . . 0.0 110.983 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 1.034 HG12 ' O ' ' A' ' 64' ' ' VAL . 10.6 p -134.9 125.38 45.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 109.269 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.449 HD23 ' H ' ' A' ' 78' ' ' ARG . 0.1 OUTLIER -74.69 143.55 44.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.267 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.797 ' CB ' HG22 ' A' ' 62' ' ' THR . 0.0 OUTLIER -56.98 -23.48 46.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.277 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.6 t -50.04 -59.13 4.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.979 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.795 ' CE1' HG21 ' A' ' 36' ' ' THR . 8.5 p90 -117.37 80.29 1.47 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 1.166 HD22 ' N ' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -164.34 140.78 6.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.322 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 1.166 ' N ' HD22 ' A' ' 81' ' ' LEU . . . -55.08 171.77 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 0.0 109.328 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.882 ' CE2' ' CD2' ' A' ' 17' ' ' PHE . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.26 0 CA-C-O 120.484 0.183 . . . . 0.0 110.997 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.471 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 18.9 ttm180 -59.99 -28.16 67.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.288 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.48 ' CE ' ' HB2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -54.58 -59.49 4.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.489 ' HG2' ' CD ' ' A' ' 43' ' ' ARG . 29.8 tptt -85.13 -31.16 23.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 1.197 ' O ' ' N ' ' A' ' 19' ' ' TYR . 7.8 m-85 -87.58 29.69 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 110.979 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -35.53 7.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 1.197 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -64.07 122.43 16.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.979 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -101.51 98.11 8.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.687 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.43 -169.83 15.71 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -102.2 91.83 4.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 0.727 . . . . 0.0 110.291 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.886 HD13 ' CE2' ' A' ' 73' ' ' TYR . 0.3 OUTLIER -68.46 108.75 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.262 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -154.19 116.02 4.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.304 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 1.115 HG21 ' CG ' ' A' ' 54' ' ' GLU . 3.7 p -66.31 99.46 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.41 -47.52 7.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 1.102 ' CE2' HG11 ' A' ' 55' ' ' VAL . 31.9 p90 -125.81 88.59 2.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.983 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.682 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 96.8 p -71.83 111.2 6.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.983 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.841 HG21 HD11 ' A' ' 81' ' ' LEU . 1.6 t -90.36 161.14 15.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.381 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.841 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 6.6 mtpt -100.27 138.12 37.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 51' ' ' GLU . 2.1 t -71.26 118.01 15.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.853 HG22 ' H ' ' A' ' 34' ' ' SER . 1.3 m -74.68 134.35 41.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 110.352 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.551 ' O ' ' HB2' ' A' ' 49' ' ' PRO . 8.8 t -43.51 -19.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.414 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.853 ' H ' HG22 ' A' ' 32' ' ' THR . 1.5 p -89.93 14.01 13.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.022 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.677 HG12 ' O ' ' A' ' 80' ' ' TYR . 0.0 OUTLIER -71.24 173.37 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.876 HG23 ' CZ3' ' A' ' 40' ' ' TRP . 1.9 t -70.74 119.8 15.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 110.385 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.75 -27.48 5.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 109.993 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.434 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 4.7 ptpp? -104.37 -47.67 4.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.598 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -67.41 124.54 23.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.876 ' CZ3' HG23 ' A' ' 36' ' ' THR . 6.1 m95 -144.4 128.24 17.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 107.999 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.461 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -118.17 159.75 14.13 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.538 1.149 . . . . 0.0 110.954 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.8 t -56.79 -36.03 69.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 0.768 . . . . 0.0 110.408 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.697 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 5.6 mtm105 -96.66 7.2 47.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 110.293 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.461 ' CB ' ' H ' ' A' ' 41' ' ' GLY . 0.3 OUTLIER -103.97 163.05 12.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 0.0 109.247 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 1.033 HD23 ' CG1' ' A' ' 47' ' ' VAL . 7.7 tp -97.53 149.7 21.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.593 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 5.2 tt0 -88.07 31.28 0.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.278 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 1.033 ' CG1' HD23 ' A' ' 45' ' ' LEU . 16.4 m -64.62 161.07 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.112 . . . . 0.0 109.278 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.411 ' HE2' ' N ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -112.46 156.22 42.57 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.67 ' CA ' HG22 ' A' ' 35' ' ' ILE . 18.3 Cg_endo -75.04 130.34 13.14 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.535 1.808 . . . . 0.0 110.998 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.54 10.54 47.14 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.459 1.1 . . . . 0.0 111.026 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.636 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.7 OUTLIER -102.8 171.79 7.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 0.753 . . . . 0.0 110.296 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 26.9 t -126.76 129.93 49.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.995 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.79 HD23 ' HB3' ' A' ' 66' ' ' CYS . 32.9 tp -140.26 165.25 27.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 1.115 ' CG ' HG21 ' A' ' 25' ' ' VAL . 0.6 OUTLIER -78.13 133.69 37.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.326 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 1.102 HG11 ' CE2' ' A' ' 27' ' ' TYR . 2.1 t -102.65 128.21 55.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.971 HG22 ' H ' ' A' ' 57' ' ' GLN . 3.5 mt -91.46 -138.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.971 ' H ' HG22 ' A' ' 56' ' ' ILE . 27.0 mm100 -94.49 156.56 16.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.326 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.689 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 7.1 p -67.36 122.44 17.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 110.433 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.535 ' HB ' ' HB3' ' A' ' 63' ' ' LYS . 1.1 m -54.24 -74.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.416 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.415 ' N ' HG22 ' A' ' 59' ' ' THR . 1.6 m-20 -104.64 -91.58 0.38 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -117.59 -57.35 2.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.319 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.481 ' O ' ' HB3' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -117.84 69.98 0.79 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.413 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.689 ' O ' ' HA ' ' A' ' 58' ' ' THR . 4.9 tttt -156.94 130.77 8.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.683 HG22 HD22 ' A' ' 81' ' ' LEU . 4.1 m -120.8 127.37 75.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.924 HD12 ' O ' ' A' ' 74' ' ' GLY . 0.7 OUTLIER -89.0 121.81 31.73 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.447 1.092 . . . . 0.0 109.318 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.79 ' HB3' HD23 ' A' ' 53' ' ' LEU . 21.8 m -91.43 155.47 18.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 108.356 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.772 ' O ' HD11 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -135.25 140.18 45.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 110.276 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.479 ' ND2' ' O ' ' A' ' 72' ' ' LYS . 0.4 OUTLIER -120.74 140.99 50.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.24 -12.35 0.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.276 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.418 ' N ' ' C ' ' A' ' 68' ' ' ASN . 2.0 tp10 -59.29 -11.31 3.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.42 13.92 67.06 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.547 1.154 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.479 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 0.0 OUTLIER -124.77 147.76 48.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 0.761 . . . . 0.0 109.282 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.886 ' CE2' HD13 ' A' ' 23' ' ' ILE . 10.0 m-85 -111.08 167.15 10.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.568 1.168 . . . . 0.0 110.995 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.924 ' O ' HD12 ' A' ' 65' ' ' LEU . . . -157.72 158.41 29.03 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.516 1.135 . . . . 0.0 110.972 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.893 ' CZ ' ' CE2' ' A' ' 17' ' ' PHE . 1.9 m-85 -105.42 153.93 21.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 0.778 . . . . 0.0 110.978 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.749 HG21 ' SG ' ' A' ' 66' ' ' CYS . 2.4 t -142.65 126.31 14.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.539 HD22 ' CD ' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -80.48 143.81 33.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.539 ' CD ' HD22 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -57.6 -22.14 43.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.56 -58.75 4.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.021 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.753 ' CE1' ' CG2' ' A' ' 36' ' ' THR . 20.1 p90 -117.88 83.79 2.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 0.0 111.003 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.871 HD12 ' H ' ' A' ' 82' ' ' ALA . 0.1 OUTLIER -165.91 173.6 10.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.871 ' H ' HD12 ' A' ' 81' ' ' LEU . . . -80.46 174.62 11.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.986 ' CE1' ' CD2' ' A' ' 17' ' ' PHE . 13.9 t80 . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.458 0.171 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.9 ptt85 -59.82 -30.31 68.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 110.323 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.53 -58.6 6.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.254 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.49 ' CG ' ' HD3' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -84.25 -34.12 23.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 1.177 ' O ' ' N ' ' A' ' 19' ' ' TYR . 10.7 m-85 -87.96 27.63 1.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -36.01 8.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.346 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 1.177 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -63.75 122.12 15.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.115 . . . . 0.0 111.003 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -100.74 98.33 8.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.692 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.15 -169.68 15.4 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -100.87 91.95 4.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 0.745 . . . . 0.0 110.311 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.936 HD13 ' CE2' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -68.58 108.43 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -154.85 119.3 4.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.28 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 1.069 HG21 ' CG ' ' A' ' 54' ' ' GLU . 7.4 p -66.81 100.33 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -90.41 -49.19 6.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.234 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 1.098 ' CE2' HG11 ' A' ' 55' ' ' VAL . 30.6 p90 -126.67 88.28 2.8 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.513 1.133 . . . . 0.0 111.048 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.699 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 78.8 p -72.09 111.4 7.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.991 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.807 HG21 HD11 ' A' ' 81' ' ' LEU . 1.7 t -91.59 161.31 14.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.412 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.839 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -100.06 138.66 36.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 51' ' ' GLU . 2.0 t -71.51 123.88 26.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.86 HG22 ' H ' ' A' ' 34' ' ' SER . 1.3 m -78.19 134.46 37.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.358 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.563 ' O ' ' HB2' ' A' ' 49' ' ' PRO . 14.5 t -44.57 -17.85 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 110.427 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.86 ' H ' HG22 ' A' ' 32' ' ' THR . 0.1 OUTLIER -93.4 14.0 19.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.999 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.683 HG22 ' CA ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -70.66 173.57 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.87 HG23 ' CZ3' ' A' ' 40' ' ' TRP . 2.0 t -70.16 119.14 13.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 110.394 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.442 ' HB3' ' CD ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -118.29 -26.93 6.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.999 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.43 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 4.5 ptpt -104.6 -47.45 4.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.607 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -67.62 124.54 23.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.335 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.87 ' CZ3' HG23 ' A' ' 36' ' ' THR . 5.8 m95 -144.6 125.23 14.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 108.02 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.476 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -116.16 160.1 13.54 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.501 1.126 . . . . 0.0 111.046 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.7 t -56.5 -36.25 68.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 0.743 . . . . 0.0 110.406 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.675 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 5.1 mtm180 -95.72 6.9 47.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.341 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.489 ' OD1' ' O ' ' A' ' 75' ' ' TYR . 0.4 OUTLIER -104.58 161.8 13.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 1.014 HD23 ' CG1' ' A' ' 47' ' ' VAL . 7.1 tp -97.24 151.43 19.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.575 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 5.5 tt0 -88.05 30.78 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.323 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 1.014 ' CG1' HD23 ' A' ' 45' ' ' LEU . 17.9 m -64.57 160.35 3.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.427 1.079 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.63 154.97 44.55 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.683 ' CA ' HG22 ' A' ' 35' ' ' ILE . 18.4 Cg_endo -75.0 130.49 13.32 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.523 1.801 . . . . 0.0 111.01 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.22 10.48 48.33 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.469 1.106 . . . . 0.0 110.998 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.67 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.4 OUTLIER -104.33 172.27 6.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.571 0.806 . . . . 0.0 110.334 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.05 129.41 50.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.984 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.796 HD11 ' O ' ' A' ' 67' ' ' ARG . 29.1 tp -139.73 164.13 30.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 1.069 ' CG ' HG21 ' A' ' 25' ' ' VAL . 0.6 OUTLIER -77.72 132.75 38.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.303 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 1.098 HG11 ' CE2' ' A' ' 27' ' ' TYR . 2.1 t -102.23 129.54 53.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.959 HG22 ' H ' ' A' ' 57' ' ' GLN . 3.6 mt -91.97 -137.91 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.959 ' H ' HG22 ' A' ' 56' ' ' ILE . 13.2 tt0 -95.02 156.69 16.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 110.276 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.702 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 7.6 p -67.55 122.8 18.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.39 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.519 ' HB ' ' HB3' ' A' ' 63' ' ' LYS . 1.1 m -54.67 -74.1 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.12 . . . . 0.0 110.388 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.445 ' N ' HG22 ' A' ' 59' ' ' THR . 6.7 t0 -104.58 -92.01 0.37 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.426 ' N ' ' CG ' ' A' ' 60' ' ' ASP . 33.5 m-20 -117.97 -56.68 2.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.558 HG21 ' HD3' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -117.56 69.44 0.77 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.409 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.702 ' O ' ' HA ' ' A' ' 58' ' ' THR . 4.1 tttt -157.29 131.12 8.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.667 HG22 HD22 ' A' ' 81' ' ' LEU . 2.9 m -122.15 127.39 75.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 109.349 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.826 HD21 HD12 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -89.19 123.58 33.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.767 ' SG ' HG21 ' A' ' 76' ' ' VAL . 35.0 m -89.34 158.27 17.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 108.321 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.796 ' O ' HD11 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -133.66 145.47 49.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.498 ' OD1' HD21 ' A' ' 45' ' ' LEU . 4.9 m120 -111.34 136.37 50.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.81 -18.74 5.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 110.292 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -77.16 -4.25 43.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 87.98 21.44 46.2 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.49 1.119 . . . . 0.0 110.982 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.28 123.87 48.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 0.732 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.936 ' CE2' HD13 ' A' ' 23' ' ' ILE . 15.4 m-85 -106.64 154.63 20.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 111.006 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.836 ' HA3' HD13 ' A' ' 45' ' ' LEU . . . -157.1 160.5 30.48 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.511 1.132 . . . . 0.0 111.028 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.889 ' CZ ' ' CE2' ' A' ' 17' ' ' PHE . 3.1 m-85 -102.75 154.37 19.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 0.76 . . . . 0.0 111.006 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.767 HG21 ' SG ' ' A' ' 66' ' ' CYS . 2.6 t -142.74 125.54 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.456 ' CA ' ' HZ2' ' A' ' 63' ' ' LYS . 0.2 OUTLIER -78.33 143.31 37.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.558 ' HD3' HG21 ' A' ' 62' ' ' THR . 0.0 OUTLIER -57.7 -21.53 41.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.335 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.46 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 14.4 t -49.99 -59.26 4.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 0.0 109.976 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.738 ' CE1' ' CG2' ' A' ' 36' ' ' THR . 19.8 p90 -117.76 83.62 2.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 111.011 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.892 HD12 ' H ' ' A' ' 82' ' ' ALA . 0.2 OUTLIER -165.41 172.89 11.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.892 ' H ' HD12 ' A' ' 81' ' ' LEU . . . -79.87 174.4 11.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.095 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.82 ' CE2' ' CD2' ' A' ' 17' ' ' PHE . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.491 0.186 . . . . 0.0 110.98 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.461 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -59.9 -29.34 68.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.401 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -54.3 -59.34 4.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.443 ' CG ' ' HD3' ' A' ' 43' ' ' ARG . 4.2 tptp -83.97 -32.84 24.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 1.202 ' O ' ' N ' ' A' ' 19' ' ' TYR . 9.9 m-85 -87.95 29.62 0.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.968 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -35.04 7.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.259 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 1.202 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -64.34 122.21 16.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 111.002 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -100.71 98.06 8.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.685 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.55 -169.55 15.51 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.507 1.129 . . . . 0.0 110.976 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -102.66 92.74 4.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 0.774 . . . . 0.0 110.264 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.861 HG12 HD13 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -65.61 107.93 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -155.11 116.59 4.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.336 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 1.11 HG21 ' CG ' ' A' ' 54' ' ' GLU . 6.4 p -65.82 99.59 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -90.95 -48.15 7.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 1.087 ' CE2' HG11 ' A' ' 55' ' ' VAL . 37.4 p90 -126.51 87.76 2.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.99 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.711 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 74.0 p -72.23 110.51 6.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.999 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.909 ' OG1' ' HB3' ' A' ' 82' ' ' ALA . 2.0 t -85.48 159.73 19.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 110.385 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.787 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 0.5 OUTLIER -102.26 135.6 43.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 109.329 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.681 ' CG1' HD12 ' A' ' 35' ' ' ILE . 1.8 t -75.73 123.04 30.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.815 HG23 ' H ' ' A' ' 34' ' ' SER . 13.6 t -76.68 178.34 6.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.396 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.463 ' HA ' ' HB2' ' A' ' 49' ' ' PRO . 3.8 t -80.94 -14.92 57.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.401 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.815 ' H ' HG23 ' A' ' 32' ' ' THR . 11.0 t -98.08 14.41 27.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.041 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.69 HG22 ' CA ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -69.66 171.96 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.884 HG23 ' CZ3' ' A' ' 40' ' ' TRP . 3.6 t -69.15 116.88 10.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.378 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.63 -27.53 5.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.951 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.44 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -103.4 -48.11 4.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.09 . . . . 0.0 109.326 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.569 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -67.78 124.22 22.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.884 ' CZ3' HG23 ' A' ' 36' ' ' THR . 7.0 m95 -143.75 129.38 19.19 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.473 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -118.58 159.31 14.42 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.546 1.154 . . . . 0.0 111.018 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.5 t -56.14 -35.63 67.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 0.743 . . . . 0.0 110.381 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.677 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 0.0 OUTLIER -96.2 6.76 48.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.473 ' CB ' ' H ' ' A' ' 41' ' ' GLY . 0.4 OUTLIER -104.43 163.13 12.66 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.487 1.117 . . . . 0.0 109.244 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.867 HD13 ' HA3' ' A' ' 74' ' ' GLY . 3.7 tp -98.52 153.82 18.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 0.0 109.342 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.585 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 6.9 tt0 -89.2 31.48 0.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.283 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.772 ' O ' ' CH2' ' A' ' 40' ' ' TRP . 30.3 m -64.5 161.44 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.28 157.51 43.63 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.69 ' CA ' HG22 ' A' ' 35' ' ' ILE . 18.2 Cg_endo -75.02 129.09 12.0 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.537 1.809 . . . . 0.0 110.987 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 32' ' ' THR . . . 100.85 10.94 41.78 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.52 1.138 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.561 ' O ' HG23 ' A' ' 31' ' ' VAL . 4.0 tt0 -105.9 171.31 7.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.431 0.724 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.5 p -126.07 130.07 50.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.032 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.78 HD23 ' HB3' ' A' ' 66' ' ' CYS . 58.4 tp -139.4 163.72 31.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 109.28 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 1.11 ' CG ' HG21 ' A' ' 25' ' ' VAL . 0.6 OUTLIER -78.3 134.08 37.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 110.286 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 1.087 HG11 ' CE2' ' A' ' 27' ' ' TYR . 2.2 t -103.94 130.46 54.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.986 HG22 ' H ' ' A' ' 57' ' ' GLN . 6.0 mt -91.64 -138.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.986 ' H ' HG22 ' A' ' 56' ' ' ILE . 27.7 mm100 -94.91 156.87 16.16 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.558 1.161 . . . . 0.0 110.269 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.681 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 4.4 p -67.7 123.33 20.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.367 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.486 ' OG1' ' CE1' ' A' ' 75' ' ' TYR . 1.3 m -55.11 -75.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.354 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.434 ' CG ' ' N ' ' A' ' 61' ' ' ASP . 5.9 t0 -104.78 -91.63 0.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.252 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.434 ' N ' ' CG ' ' A' ' 60' ' ' ASP . 0.2 OUTLIER -117.43 -57.08 2.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.461 HG22 ' CB ' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -117.47 68.74 0.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 110.406 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.681 ' O ' ' HA ' ' A' ' 58' ' ' THR . 2.5 tppt? -156.06 129.08 8.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.928 HG22 HD13 ' A' ' 81' ' ' LEU . 3.3 m -121.33 126.62 75.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.898 HD21 HD12 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -87.71 122.14 31.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.258 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.78 ' HB3' HD23 ' A' ' 53' ' ' LEU . 4.0 m -92.5 155.12 18.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 108.268 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.749 ' O ' HD11 ' A' ' 53' ' ' LEU . 0.8 OUTLIER -137.21 142.76 42.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.275 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.507 ' N ' ' OD1' ' A' ' 68' ' ' ASN . 0.4 OUTLIER -120.7 149.15 42.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.359 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.51 -17.01 2.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 110.295 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.41 ' HB3' ' ND2' ' A' ' 68' ' ' ASN . 8.1 tp10 -59.16 -9.3 1.98 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 79.07 20.01 71.13 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.5 1.125 . . . . 0.0 111.025 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.404 ' O ' ' OD1' ' A' ' 68' ' ' ASN . 0.1 OUTLIER -118.72 147.91 43.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 0.753 . . . . 0.0 109.299 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.75 ' HB2' ' CD2' ' A' ' 13' ' ' PHE . 15.7 m-85 -117.11 157.65 25.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.103 . . . . 0.0 110.997 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.867 ' HA3' HD13 ' A' ' 45' ' ' LEU . . . -157.85 159.8 30.21 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.924 ' CZ ' ' CE2' ' A' ' 17' ' ' PHE . 8.1 m-85 -103.33 153.75 20.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 0.76 . . . . 0.0 111.017 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.64 HG21 ' SG ' ' A' ' 66' ' ' CYS . 4.0 t -143.39 126.58 13.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.422 HD23 ' H ' ' A' ' 78' ' ' ARG . 0.1 OUTLIER -71.74 142.26 49.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.536 ' CZ ' ' O ' ' A' ' 78' ' ' ARG . 0.0 OUTLIER -58.78 -20.36 49.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 110.312 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.471 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 13.1 t -47.43 -57.82 4.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.966 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.736 ' CE1' ' CG2' ' A' ' 36' ' ' THR . 13.7 p90 -115.9 85.07 2.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.988 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.928 HD13 HG22 ' A' ' 64' ' ' VAL . 0.3 OUTLIER -162.68 178.29 8.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.909 ' HB3' ' OG1' ' A' ' 29' ' ' THR . . . -88.27 176.95 7.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 -179.954 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.984 ' CE1' ' CD2' ' A' ' 17' ' ' PHE . 26.2 t80 . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.55 0.214 . . . . 0.0 111.008 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.401 ' O ' ' N ' ' A' ' 18' ' ' LYS . 6.8 ptm180 -60.02 -30.49 69.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.272 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.499 ' CE ' ' HB2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -54.29 -58.1 8.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.503 ' HG2' ' CD ' ' A' ' 43' ' ' ARG . 0.2 OUTLIER -84.67 -34.92 22.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 1.196 ' O ' ' N ' ' A' ' 19' ' ' TYR . 6.3 m-85 -88.38 27.57 1.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.082 . . . . 0.0 110.972 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 14' ' ' ARG . 0.3 OUTLIER -35.59 7.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.318 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 1.196 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -64.05 122.46 16.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.959 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.85 98.31 9.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.74 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -149.44 -169.92 16.41 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -102.59 92.64 4.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 0.756 . . . . 0.0 110.328 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.768 HD13 ' CE2' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -65.63 108.6 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.16 . . . . 0.0 109.266 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.74 144.28 22.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 110.336 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.984 HG11 ' HG2' ' A' ' 54' ' ' GLU . 75.2 t -95.57 100.15 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -92.46 -47.43 7.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 1.102 ' CE2' HG11 ' A' ' 55' ' ' VAL . 29.6 p90 -125.88 89.93 3.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.113 . . . . 0.0 111.011 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.729 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 79.5 p -72.03 111.7 7.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.017 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.728 HG21 HD11 ' A' ' 81' ' ' LEU . 1.0 OUTLIER -93.14 160.27 14.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.359 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.84 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 0.6 OUTLIER -101.45 138.94 37.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.429 1.081 . . . . 0.0 109.291 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.635 HG12 ' CB ' ' A' ' 35' ' ' ILE . 1.8 t -70.4 121.12 19.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.871 HG22 ' H ' ' A' ' 34' ' ' SER . 1.3 m -75.65 134.41 40.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.093 . . . . 0.0 110.425 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.577 ' O ' ' HB2' ' A' ' 49' ' ' PRO . 11.1 t -44.8 -16.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 110.428 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.871 ' H ' HG22 ' A' ' 32' ' ' THR . 0.2 OUTLIER -93.56 13.66 21.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.008 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.699 HG12 ' O ' ' A' ' 80' ' ' TYR . 0.0 OUTLIER -71.1 173.29 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.913 HG23 ' CZ3' ' A' ' 40' ' ' TRP . 2.4 t -70.52 121.31 17.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.389 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.432 ' HB2' ' CD ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -118.93 -27.52 5.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.988 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.43 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 0.2 OUTLIER -104.53 -47.37 4.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.29 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.612 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -67.2 123.93 21.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.913 ' CZ3' HG23 ' A' ' 36' ' ' THR . 5.8 m95 -144.06 128.14 17.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 107.97 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.44 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -118.62 159.52 14.34 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.7 t -56.7 -36.32 69.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 0.787 . . . . 0.0 110.38 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.668 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 2.1 mtm180 -96.45 7.14 47.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.273 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.44 ' CB ' ' H ' ' A' ' 41' ' ' GLY . 0.3 OUTLIER -104.9 163.12 12.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 1.049 HD23 ' CG1' ' A' ' 47' ' ' VAL . 8.6 tp -97.75 148.13 23.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.547 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 2.5 tt0 -87.48 31.1 0.76 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 1.049 ' CG1' HD23 ' A' ' 45' ' ' LEU . 23.3 m -64.18 161.6 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.33 154.24 43.76 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.137 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.698 ' CA ' HG22 ' A' ' 35' ' ' ILE . 18.2 Cg_endo -75.05 131.02 13.77 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.514 1.797 . . . . 0.0 110.966 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 98.66 9.02 53.79 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.515 1.135 . . . . 0.0 110.993 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.598 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.9 OUTLIER -100.7 171.59 7.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 0.768 . . . . 0.0 110.267 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.0 t -125.91 128.04 46.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.0 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.792 HD11 ' O ' ' A' ' 67' ' ' ARG . 51.7 tp -140.18 164.96 28.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.984 ' HG2' HG11 ' A' ' 25' ' ' VAL . 3.4 mt-10 -77.93 136.07 37.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 0.0 110.339 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 1.102 HG11 ' CE2' ' A' ' 27' ' ' TYR . 2.1 t -103.81 130.26 54.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.992 HG22 ' H ' ' A' ' 57' ' ' GLN . 7.9 mt -92.45 -138.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.992 ' H ' HG22 ' A' ' 56' ' ' ILE . 0.4 OUTLIER -95.47 156.56 16.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 110.278 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.659 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 3.4 p -67.55 123.26 19.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.438 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.463 ' HB ' ' CG ' ' A' ' 63' ' ' LYS . 1.1 m -54.81 -75.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.423 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.447 ' N ' HG22 ' A' ' 59' ' ' THR . 4.6 t0 -105.24 -91.33 0.39 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.414 ' N ' ' CG ' ' A' ' 60' ' ' ASP . 49.1 m-20 -117.37 -57.19 2.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.483 HG22 ' CB ' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -117.67 69.16 0.77 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.406 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.659 ' O ' ' HA ' ' A' ' 58' ' ' THR . 2.8 tppt? -156.32 129.48 8.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.666 HG22 HD22 ' A' ' 81' ' ' LEU . 3.2 m -120.96 126.19 74.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.839 ' CD2' HD12 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -89.53 121.69 31.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.77 ' HB3' HD23 ' A' ' 53' ' ' LEU . 31.0 m -92.08 157.03 16.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 108.324 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.792 ' O ' HD11 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -135.79 142.24 44.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.105 . . . . 0.0 110.32 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.482 ' ND2' ' O ' ' A' ' 72' ' ' LYS . 0.3 OUTLIER -120.95 143.69 48.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.78 -14.28 1.35 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 110.32 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.405 ' N ' ' C ' ' A' ' 68' ' ' ASN . 3.2 tp10 -59.6 -11.51 4.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 85.37 17.75 61.83 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.451 1.095 . . . . 0.0 111.028 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.52 ' HD3' HD11 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -124.54 150.34 45.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 0.754 . . . . 0.0 109.311 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.768 ' CE2' HD13 ' A' ' 23' ' ' ILE . 5.4 m-85 -115.97 164.88 13.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.901 ' HA3' HD13 ' A' ' 45' ' ' LEU . . . -157.16 159.24 29.53 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.551 1.157 . . . . 0.0 111.017 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.879 ' CE2' ' CE2' ' A' ' 17' ' ' PHE . 5.3 m-85 -104.95 151.7 23.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 0.762 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.744 HG21 ' SG ' ' A' ' 66' ' ' CYS . 2.1 t -138.15 124.76 26.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.442 HD23 ' HA ' ' A' ' 77' ' ' LEU . 0.1 OUTLIER -76.83 142.07 40.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.317 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.483 ' CB ' HG22 ' A' ' 62' ' ' THR . 0.0 OUTLIER -57.35 -22.86 45.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.338 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.429 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 9.3 t -50.63 -59.06 4.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.004 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.753 ' CE1' ' CG2' ' A' ' 36' ' ' THR . 19.5 p90 -117.42 84.33 2.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 111.002 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.897 HD12 ' H ' ' A' ' 82' ' ' ALA . 0.1 OUTLIER -165.7 174.0 10.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.897 ' H ' HD12 ' A' ' 81' ' ' LEU . . . -80.4 173.66 12.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 -179.975 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.844 ' CE2' ' CD2' ' A' ' 17' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.458 0.17 . . . . 0.0 110.986 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.559 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 24.5 ttt180 -59.84 -28.93 67.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.324 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.48 -59.18 5.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 109.331 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.16 -30.81 25.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 1.189 ' O ' ' N ' ' A' ' 19' ' ' TYR . 10.1 m-85 -87.28 29.79 0.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 111.022 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -35.2 7.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.346 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 1.189 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -64.34 121.96 15.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 111.012 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -100.42 98.18 8.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.696 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.8 -170.1 16.21 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.534 1.146 . . . . 0.0 111.045 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -102.72 92.25 4.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 0.758 . . . . 0.0 110.284 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.873 HD13 ' CE2' ' A' ' 73' ' ' TYR . 0.2 OUTLIER -67.52 109.22 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? -153.38 115.28 4.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.293 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.958 HG11 ' HG2' ' A' ' 54' ' ' GLU . 66.2 t -67.27 100.26 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -92.68 -47.33 7.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.355 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 1.076 ' CE2' HG11 ' A' ' 55' ' ' VAL . 36.9 p90 -125.89 89.56 3.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 111.011 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.716 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 15.4 p -72.93 110.27 7.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.014 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 1.006 HG21 HD21 ' A' ' 81' ' ' LEU . 1.5 t -87.74 158.46 18.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 110.403 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.831 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 0.1 OUTLIER -105.41 137.23 43.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.266 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.685 ' CG1' HD12 ' A' ' 35' ' ' ILE . 1.7 t -72.63 142.09 15.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.675 HG23 ' H ' ' A' ' 34' ' ' SER . 10.5 t -94.36 -179.7 5.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.397 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.482 ' HA ' ' HB2' ' A' ' 49' ' ' PRO . 14.0 t -80.82 -23.75 38.96 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 110.408 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.675 ' H ' HG23 ' A' ' 32' ' ' THR . 24.1 t -91.17 13.6 16.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.996 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.685 HD12 ' CG1' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -70.54 171.97 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.893 HG23 ' CZ3' ' A' ' 40' ' ' TRP . 5.8 t -69.25 116.87 10.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 110.408 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.473 ' HB3' ' HD3' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -118.11 -27.49 6.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.019 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.427 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 0.8 OUTLIER -103.21 -47.25 4.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.534 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -68.13 123.43 20.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.893 ' CZ3' HG23 ' A' ' 36' ' ' THR . 8.3 m95 -143.48 132.26 22.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 108.016 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.426 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -117.82 158.37 14.68 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.485 1.115 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.4 m -56.23 -37.18 69.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 0.744 . . . . 0.0 110.407 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.641 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 7.4 mtm180 -96.75 7.25 47.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.333 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.426 ' CB ' ' H ' ' A' ' 41' ' ' GLY . 0.1 OUTLIER -103.69 162.96 12.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.143 . . . . 0.0 109.281 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.988 HD23 ' CG1' ' A' ' 47' ' ' VAL . 4.7 tp -96.96 149.03 22.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.495 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 0.2 OUTLIER -88.98 33.6 0.79 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.286 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.988 ' CG1' HD23 ' A' ' 45' ' ' LEU . 22.3 m -62.95 159.69 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.1 157.97 35.6 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.598 ' CA ' HG22 ' A' ' 35' ' ' ILE . 18.2 Cg_endo -74.96 125.91 9.65 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.487 1.782 . . . . 0.0 111.025 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 32' ' ' THR . . . 100.5 11.99 39.71 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.516 1.135 . . . . 0.0 110.972 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.522 ' O ' ' N ' ' A' ' 31' ' ' VAL . 0.3 OUTLIER -101.25 172.69 6.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 0.766 . . . . 0.0 110.243 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.38 129.94 43.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 110.019 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.811 HD11 ' O ' ' A' ' 67' ' ' ARG . 45.3 tp -139.94 165.49 27.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.251 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.958 ' HG2' HG11 ' A' ' 25' ' ' VAL . 3.9 mt-10 -78.2 134.32 37.63 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 1.076 HG11 ' CE2' ' A' ' 27' ' ' TYR . 2.2 t -103.82 131.1 53.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.147 . . . . 0.0 109.303 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.98 HG22 ' H ' ' A' ' 57' ' ' GLN . 4.1 mt -93.15 -137.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.98 ' H ' HG22 ' A' ' 56' ' ' ILE . 29.7 mm100 -94.78 156.91 16.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.362 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.678 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 5.8 p -67.61 123.23 19.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.378 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.539 ' HB ' ' HB3' ' A' ' 63' ' ' LYS . 1.2 m -55.34 -74.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 110.401 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.443 ' CG ' ' N ' ' A' ' 61' ' ' ASP . 4.1 t70 -104.71 -91.72 0.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.443 ' N ' ' CG ' ' A' ' 60' ' ' ASP . 1.8 m-20 -117.49 -57.36 2.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.437 ' O ' ' HB3' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -117.68 69.56 0.78 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.398 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.678 ' O ' ' HA ' ' A' ' 58' ' ' THR . 5.5 tttt -157.13 129.21 7.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.463 ' CG2' ' HG ' ' A' ' 81' ' ' LEU . 5.3 m -119.87 126.81 75.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.875 HD12 ' O ' ' A' ' 74' ' ' GLY . 0.2 OUTLIER -88.61 121.86 31.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.783 ' SG ' HG21 ' A' ' 76' ' ' VAL . 32.8 m -91.37 157.21 17.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 108.323 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.811 ' O ' HD11 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -134.52 142.94 47.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 110.289 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.467 ' ND2' ' H ' ' A' ' 72' ' ' LYS . 0.5 OUTLIER -120.47 139.83 52.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.304 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.53 -13.55 1.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -59.41 -10.24 3.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.303 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 87.36 15.67 61.8 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.541 1.151 . . . . 0.0 111.034 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.467 ' H ' ' ND2' ' A' ' 68' ' ' ASN . 0.1 OUTLIER -124.74 155.53 39.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 0.758 . . . . 0.0 109.306 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.873 ' CE2' HD13 ' A' ' 23' ' ' ILE . 6.9 m-85 -118.75 167.21 11.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.975 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.875 ' O ' HD12 ' A' ' 65' ' ' LEU . . . -158.17 157.8 28.62 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.541 1.151 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.899 ' CZ ' ' CE2' ' A' ' 17' ' ' PHE . 2.4 m-85 -104.96 151.79 23.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 0.764 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.783 HG21 ' SG ' ' A' ' 66' ' ' CYS . 2.2 t -139.07 125.65 24.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.164 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.498 HD23 ' H ' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -76.29 144.33 40.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.341 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.498 ' H ' HD23 ' A' ' 77' ' ' LEU . 0.1 OUTLIER -56.15 -22.53 29.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 110.324 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.54 -59.09 4.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.983 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.754 ' CE1' HG21 ' A' ' 36' ' ' THR . 9.8 p90 -117.42 81.06 1.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 111.033 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 1.068 HD13 ' O ' ' A' ' 82' ' ' ALA . 0.7 OUTLIER -163.66 144.68 8.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 1.068 ' O ' HD13 ' A' ' 81' ' ' LEU . . . -54.58 174.23 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -180.0 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.848 ' CE2' ' CD2' ' A' ' 17' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.506 0.194 . . . . 0.0 110.996 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.533 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 0.9 OUTLIER -59.97 -29.89 68.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.487 ' CE ' ' HB2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -54.51 -58.01 9.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.487 ' HB2' ' CE ' ' A' ' 15' ' ' LYS . 5.3 tptt -84.42 -31.87 24.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 1.218 ' O ' ' N ' ' A' ' 19' ' ' TYR . 10.1 m-85 -87.42 30.1 0.82 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.972 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -34.54 6.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 1.218 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -65.21 122.29 16.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.994 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -100.9 97.97 8.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.253 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.683 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.62 -169.67 15.66 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.511 1.132 . . . . 0.0 111.026 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -102.88 92.57 4.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 0.743 . . . . 0.0 110.322 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.949 HG12 HD13 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -67.08 108.47 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -154.78 118.48 4.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.336 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 1.126 HG21 ' CG ' ' A' ' 54' ' ' GLU . 6.6 p -65.62 98.86 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.3 -47.65 7.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 1.016 ' CE2' HG11 ' A' ' 55' ' ' VAL . 39.2 p90 -126.26 88.97 2.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 111.029 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.66 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 54.6 p -73.52 110.35 7.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.026 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 1.101 HG21 HD21 ' A' ' 81' ' ' LEU . 1.6 t -89.35 158.64 17.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.382 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.732 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 1.0 OUTLIER -103.15 137.47 41.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.695 ' CG1' HD12 ' A' ' 35' ' ' ILE . 1.7 t -72.96 146.33 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.15 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 50' ' ' GLY . 9.7 t -95.22 179.22 5.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 110.427 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.462 ' HA ' ' HB2' ' A' ' 49' ' ' PRO . 1.2 t -80.67 -25.26 38.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 110.426 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.2 t -91.47 14.34 15.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.976 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.695 HD12 ' CG1' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -70.08 171.98 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.897 HG23 ' CZ3' ' A' ' 40' ' ' TRP . 5.2 t -69.27 117.52 11.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.435 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.44 ' HB3' ' HG3' ' A' ' 49' ' ' PRO . 0.1 OUTLIER -119.02 -27.92 5.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.992 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.424 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 2.4 ptpp? -102.68 -47.56 4.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.58 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -67.79 123.29 20.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.897 ' CZ3' HG23 ' A' ' 36' ' ' THR . 6.9 m95 -143.53 129.71 19.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 107.99 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.458 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -118.86 159.29 14.49 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.518 1.136 . . . . 0.0 110.965 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.2 t -56.38 -36.2 68.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 0.783 . . . . 0.0 110.437 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.643 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 8.6 mtm105 -97.06 7.51 46.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 110.305 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.458 ' CB ' ' H ' ' A' ' 41' ' ' GLY . 0.4 OUTLIER -104.02 163.15 12.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.921 HD23 ' CG1' ' A' ' 47' ' ' VAL . 6.6 tp -97.12 148.71 22.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.567 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 4.7 tt0 -88.21 31.38 0.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.313 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.921 ' CG1' HD23 ' A' ' 45' ' ' LEU . 34.2 m -64.27 160.29 3.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -111.79 158.55 36.31 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.269 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.626 ' CA ' HG22 ' A' ' 35' ' ' ILE . 18.4 Cg_endo -74.95 123.94 8.28 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.545 1.813 . . . . 0.0 111.024 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 32' ' ' THR . . . 100.79 14.6 31.3 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.477 1.111 . . . . 0.0 111.006 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.603 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.9 OUTLIER -105.64 171.14 7.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 0.753 . . . . 0.0 110.265 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.4 p -131.99 129.44 40.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.024 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 1.008 HD21 ' CB ' ' A' ' 66' ' ' CYS . 0.0 OUTLIER -140.99 170.05 16.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 1.126 ' CG ' HG21 ' A' ' 25' ' ' VAL . 0.7 OUTLIER -77.61 134.82 38.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.325 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 1.016 HG11 ' CE2' ' A' ' 27' ' ' TYR . 2.1 t -106.27 134.4 47.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.994 HG22 ' H ' ' A' ' 57' ' ' GLN . 6.9 mt -92.72 -140.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.994 ' H ' HG22 ' A' ' 56' ' ' ILE . 25.8 mm-40 -96.98 158.2 15.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.142 . . . . 0.0 110.286 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.631 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 7.9 p -67.91 128.85 38.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.408 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.472 ' OG1' ' CE1' ' A' ' 75' ' ' TYR . 1.2 m -61.21 -75.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.407 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.427 ' CG ' ' N ' ' A' ' 61' ' ' ASP . 4.7 t0 -105.42 -92.64 0.37 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.427 ' N ' ' CG ' ' A' ' 60' ' ' ASP . 0.9 OUTLIER -117.64 -56.58 2.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.835 HG22 ' CB ' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -115.38 67.76 0.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 110.436 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.631 ' O ' ' HA ' ' A' ' 58' ' ' THR . 0.0 OUTLIER -157.9 130.15 7.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.33 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.518 ' CG2' ' HG ' ' A' ' 81' ' ' LEU . 17.2 m -124.2 124.75 69.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.772 HD12 ' O ' ' A' ' 74' ' ' GLY . 0.1 OUTLIER -90.11 121.22 31.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.332 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 1.008 ' CB ' HD21 ' A' ' 53' ' ' LEU . 4.9 m -98.93 160.94 13.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 108.303 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.711 ' HG3' ' CD2' ' A' ' 73' ' ' TYR . 0.9 OUTLIER -134.62 144.44 47.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 72' ' ' LYS . 0.2 OUTLIER -119.44 143.46 47.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.33 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.15 -14.5 1.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 110.258 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.41 ' N ' ' C ' ' A' ' 68' ' ' ASN . 2.4 tp10 -59.47 -11.97 5.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.253 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.55 21.04 58.94 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.455 1.097 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.457 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 0.0 OUTLIER -124.59 148.9 47.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 0.736 . . . . 0.0 109.311 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.81 ' CE2' HD13 ' A' ' 23' ' ' ILE . 27.7 m-85 -115.32 156.87 24.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.981 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.772 ' O ' HD12 ' A' ' 65' ' ' LEU . . . -157.45 160.05 30.26 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.48 1.113 . . . . 0.0 111.019 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.902 ' CZ ' ' CE2' ' A' ' 17' ' ' PHE . 8.4 m-85 -102.95 153.13 20.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 0.771 . . . . 0.0 110.977 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.783 HG21 ' SG ' ' A' ' 66' ' ' CYS . 1.8 t -133.93 124.12 46.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.412 HD23 ' H ' ' A' ' 78' ' ' ARG . 0.1 OUTLIER -74.1 141.87 45.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.835 ' CB ' HG22 ' A' ' 62' ' ' THR . 0.0 OUTLIER -56.55 -22.05 30.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 0.0 110.28 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.4 ' HA ' ' NH2' ' A' ' 78' ' ' ARG . 15.6 t -49.91 -59.44 3.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 110.028 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.721 ' CE1' HG21 ' A' ' 36' ' ' THR . 9.0 p90 -117.38 80.58 1.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 110.982 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 1.101 HD21 HG21 ' A' ' 29' ' ' THR . 0.5 OUTLIER -164.52 141.77 6.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 1.087 ' N ' HD22 ' A' ' 81' ' ' LEU . . . -55.08 174.53 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.997 ' CE1' ' CD2' ' A' ' 17' ' ' PHE . 18.5 t80 . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.541 0.21 . . . . 0.0 111.042 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.45 ' HG2' ' N ' ' A' ' 15' ' ' LYS . 2.4 ptm180 -59.29 -30.82 68.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.347 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.45 ' N ' ' HG2' ' A' ' 14' ' ' ARG . 0.2 OUTLIER -54.11 -58.2 8.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.472 ' CG ' ' HD3' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -84.47 -33.76 23.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 1.184 ' O ' ' N ' ' A' ' 19' ' ' TYR . 15.1 m-85 -87.85 27.37 1.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -35.52 7.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 1.184 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -64.24 121.22 13.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 111.014 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -100.31 97.89 8.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.69 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -147.92 -170.32 15.85 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.528 1.142 . . . . 0.0 111.03 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -99.79 92.41 5.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 0.758 . . . . 0.0 110.277 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.927 HD13 ' CE2' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -68.85 107.98 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.308 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.19 121.51 5.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.345 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 1.072 HG21 ' CG ' ' A' ' 54' ' ' GLU . 6.0 p -67.26 100.79 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.35 -49.95 6.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 1.079 ' CE2' HG11 ' A' ' 55' ' ' VAL . 34.6 p90 -127.44 88.31 2.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.699 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 59.4 p -73.7 110.92 8.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.987 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.744 ' OG1' ' HB3' ' A' ' 82' ' ' ALA . 1.8 t -88.15 161.49 17.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 110.427 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.536 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 0.5 OUTLIER -101.32 137.4 39.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 51' ' ' GLU . 1.9 t -73.12 134.04 30.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.857 HG22 ' H ' ' A' ' 34' ' ' SER . 1.3 m -84.53 135.24 34.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.108 . . . . 0.0 110.378 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.546 ' O ' ' HB2' ' A' ' 49' ' ' PRO . 12.8 t -47.39 -11.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.098 . . . . 0.0 110.364 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.857 ' H ' HG22 ' A' ' 32' ' ' THR . 1.1 p -103.51 15.77 28.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.972 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.766 HG22 ' CA ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -69.88 175.47 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.303 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.899 HG23 ' CZ3' ' A' ' 40' ' ' TRP . 4.2 t -69.28 118.99 12.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.368 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.419 ' HB3' ' CD ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -117.91 -26.57 6.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.02 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.438 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 2.0 ptmm? -103.91 -47.84 4.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.547 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -67.71 123.9 21.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.899 ' CZ3' HG23 ' A' ' 36' ' ' THR . 7.2 m95 -144.23 129.37 18.65 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.462 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -117.55 158.94 14.34 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.512 1.132 . . . . 0.0 110.983 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.2 m -56.07 -35.62 67.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 0.778 . . . . 0.0 110.388 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.712 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 29.0 mtm180 -95.68 5.36 51.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 110.273 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.462 ' CB ' ' H ' ' A' ' 41' ' ' GLY . 0.4 OUTLIER -103.58 161.83 13.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.856 HD23 ' CG1' ' A' ' 47' ' ' VAL . 7.3 tp -97.63 152.35 19.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.262 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.581 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 6.7 tt0 -87.6 31.53 0.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.308 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.856 ' CG1' HD23 ' A' ' 45' ' ' LEU . 35.0 m -63.91 159.8 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.02 155.41 41.74 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.766 ' CA ' HG22 ' A' ' 35' ' ' ILE . 18.2 Cg_endo -75.01 128.96 11.89 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.519 1.799 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 98.22 11.06 50.07 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.501 1.125 . . . . 0.0 110.978 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.725 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.5 OUTLIER -103.58 172.48 6.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 0.763 . . . . 0.0 110.327 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.44 ' HB3' ' CG ' ' A' ' 30' ' ' LYS . 0.9 OUTLIER -124.88 129.59 50.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.983 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.795 HD11 ' O ' ' A' ' 67' ' ' ARG . 31.2 tp -139.36 164.51 29.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.082 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 1.072 ' CG ' HG21 ' A' ' 25' ' ' VAL . 0.7 OUTLIER -78.39 132.0 37.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.315 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 1.079 HG11 ' CE2' ' A' ' 27' ' ' TYR . 2.3 t -102.69 129.09 54.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.98 HG22 ' H ' ' A' ' 57' ' ' GLN . 4.3 mt -92.33 -138.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.98 ' H ' HG22 ' A' ' 56' ' ' ILE . 19.7 mm-40 -94.36 157.24 16.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.27 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.736 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 8.3 p -67.67 123.75 21.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 110.423 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.553 ' OG1' ' CE1' ' A' ' 75' ' ' TYR . 1.3 m -54.96 -74.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.375 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -104.58 -91.17 0.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -117.27 -57.57 2.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.556 HG21 ' CD ' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -117.53 69.13 0.76 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 110.359 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.736 ' O ' ' HA ' ' A' ' 58' ' ' THR . 0.1 OUTLIER -157.35 129.76 7.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.905 HG22 HD13 ' A' ' 81' ' ' LEU . 3.6 m -120.57 128.26 76.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.885 HD21 HD12 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -87.48 124.52 33.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.368 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.725 ' SG ' HG21 ' A' ' 76' ' ' VAL . 14.0 m -89.56 158.49 17.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 108.309 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.795 ' O ' HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -134.43 146.94 50.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.267 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.618 ' OD1' HD21 ' A' ' 45' ' ' LEU . 6.4 m120 -113.17 139.89 48.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -53.93 -18.65 3.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 110.329 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -79.46 -4.54 51.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 88.51 17.78 56.31 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.549 1.156 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.437 ' HE3' HD11 ' A' ' 45' ' ' LEU . 14.7 ttpt -96.4 124.69 40.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.765 . . . . 0.0 109.272 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.927 ' CE2' HD13 ' A' ' 23' ' ' ILE . 12.4 m-85 -111.89 151.6 28.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 111.008 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.542 ' HA3' HD13 ' A' ' 45' ' ' LEU . . . -159.37 161.76 32.35 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.529 1.143 . . . . 0.0 110.973 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.921 ' CZ ' ' CE2' ' A' ' 17' ' ' PHE . 10.1 m-85 -101.26 154.19 18.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.76 . . . . 0.0 111.006 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.725 HG21 ' SG ' ' A' ' 66' ' ' CYS . 4.0 t -143.11 126.42 13.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.417 HD23 ' H ' ' A' ' 78' ' ' ARG . 0.1 OUTLIER -72.84 142.03 47.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.335 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.556 ' CD ' HG21 ' A' ' 62' ' ' THR . 0.0 OUTLIER -57.31 -19.42 22.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.331 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.433 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 21.8 t -47.03 -58.24 4.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.104 . . . . 0.0 110.031 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.662 ' CE1' HG21 ' A' ' 36' ' ' THR . 7.5 p90 -116.56 84.22 2.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 111.009 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.905 HD13 HG22 ' A' ' 64' ' ' VAL . 0.3 OUTLIER -162.98 176.58 9.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.769 ' H ' HD23 ' A' ' 81' ' ' LEU . . . -89.87 173.97 7.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.982 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.846 ' CE2' ' CD2' ' A' ' 17' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.516 0.198 . . . . 0.0 111.006 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.565 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 7.9 ttt180 -58.27 -36.99 74.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.315 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.426 ' HD3' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -51.78 -57.41 9.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.317 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.426 ' N ' ' HD3' ' A' ' 15' ' ' LYS . 1.2 tptp -82.37 -35.48 27.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 1.19 ' O ' ' N ' ' A' ' 19' ' ' TYR . 9.2 m-85 -87.41 30.59 0.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -35.57 8.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.256 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 1.19 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -63.26 122.01 15.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -100.31 98.16 8.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.258 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.698 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.31 -169.82 15.63 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.496 1.122 . . . . 0.0 110.976 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -102.26 92.26 4.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 0.781 . . . . 0.0 110.315 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.937 HD13 ' CE2' ' A' ' 73' ' ' TYR . 0.4 OUTLIER -69.98 109.14 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.352 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.14 131.67 12.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.314 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.496 ' HB ' ' CD ' ' A' ' 54' ' ' GLU . 7.6 p -74.16 98.12 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.65 -49.2 6.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 1.118 ' CE2' HG11 ' A' ' 55' ' ' VAL . 27.7 p90 -130.64 87.96 2.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 0.0 111.054 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.591 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 38.6 p -71.2 110.99 6.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.97 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.736 HG22 ' CG2' ' A' ' 55' ' ' VAL . 1.2 t -92.13 161.18 14.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.394 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.798 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -101.1 138.74 37.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.165 . . . . 0.0 109.319 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 51' ' ' GLU . 2.1 t -70.52 120.3 18.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.822 HG22 ' H ' ' A' ' 34' ' ' SER . 1.2 m -75.53 133.34 41.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.43 1.081 . . . . 0.0 110.351 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.581 ' O ' ' HB2' ' A' ' 49' ' ' PRO . 14.2 t -43.07 -20.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 110.428 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.822 ' H ' HG22 ' A' ' 32' ' ' THR . 0.2 OUTLIER -89.69 13.77 13.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.984 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.693 HG12 ' O ' ' A' ' 80' ' ' TYR . 0.0 OUTLIER -71.32 173.55 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.102 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.901 HG23 ' CZ3' ' A' ' 40' ' ' TRP . 2.4 t -70.77 120.25 16.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.404 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.68 -27.62 5.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 110.021 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.434 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -104.42 -47.81 4.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.259 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.568 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -67.35 124.97 24.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.901 ' CZ3' HG23 ' A' ' 36' ' ' THR . 6.5 m95 -144.58 129.61 18.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 108.026 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.457 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -118.6 159.68 14.28 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.502 1.126 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.4 t -56.81 -35.81 69.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 0.745 . . . . 0.0 110.349 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.666 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 9.2 mtm180 -96.49 6.83 47.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.457 ' CB ' ' H ' ' A' ' 41' ' ' GLY . 0.4 OUTLIER -103.81 162.74 12.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.34 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.9 HD13 ' HA3' ' A' ' 74' ' ' GLY . 6.1 tp -97.7 151.27 20.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.603 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 5.5 tt0 -88.07 31.24 0.8 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.764 ' O ' ' CH2' ' A' ' 40' ' ' TRP . 19.3 m -64.19 159.97 3.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -111.87 155.61 42.97 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 109.357 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.659 ' CA ' HG22 ' A' ' 35' ' ' ILE . 18.3 Cg_endo -75.0 130.19 13.04 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.463 1.77 . . . . 0.0 110.984 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.06 11.78 44.85 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.641 ' O ' HG23 ' A' ' 31' ' ' VAL . 1.2 mt-10 -105.06 172.15 6.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 0.751 . . . . 0.0 110.283 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.1 t -125.4 130.3 51.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 110.033 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.765 HD23 ' HB3' ' A' ' 66' ' ' CYS . 28.9 tp -139.47 166.71 23.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.598 ' O ' ' HA ' ' A' ' 66' ' ' CYS . 0.9 OUTLIER -78.2 132.47 37.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.278 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 1.118 HG11 ' CE2' ' A' ' 27' ' ' TYR . 2.2 t -102.68 126.58 56.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.977 HG22 ' H ' ' A' ' 57' ' ' GLN . 4.6 mt -91.4 -138.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.977 ' H ' HG22 ' A' ' 56' ' ' ILE . 29.1 mm100 -94.87 156.85 16.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.291 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.702 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 6.5 p -67.82 122.8 18.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.385 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.529 ' HB ' ' HB3' ' A' ' 63' ' ' LYS . 1.1 m -54.53 -74.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.434 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.453 ' N ' HG22 ' A' ' 59' ' ' THR . 1.0 OUTLIER -104.76 -91.45 0.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.095 . . . . 0.0 109.29 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -118.09 -56.82 2.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.598 HG22 ' CB ' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -117.92 69.82 0.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.404 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.702 ' O ' ' HA ' ' A' ' 58' ' ' THR . 4.0 tttt -157.34 130.49 7.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.682 HG22 HD22 ' A' ' 81' ' ' LEU . 3.9 m -121.09 127.77 75.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.914 HD12 ' O ' ' A' ' 74' ' ' GLY . 0.7 OUTLIER -88.79 122.44 32.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.343 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.765 ' HB3' HD23 ' A' ' 53' ' ' LEU . 30.4 m -91.79 156.69 17.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 108.269 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.765 ' O ' HD11 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -134.98 142.44 46.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.292 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.476 ' ND2' ' O ' ' A' ' 72' ' ' LYS . 0.3 OUTLIER -120.7 141.72 50.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.339 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -56.43 -13.11 2.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.336 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -60.57 -9.52 3.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.281 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.4 14.02 66.92 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.499 1.125 . . . . 0.0 111.028 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.476 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 2.1 ttpm? -122.46 156.62 33.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 0.778 . . . . 0.0 109.322 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.937 ' CE2' HD13 ' A' ' 23' ' ' ILE . 7.0 m-85 -119.82 167.64 11.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 110.99 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.914 ' O ' HD12 ' A' ' 65' ' ' LEU . . . -157.34 158.61 29.08 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.501 1.126 . . . . 0.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.887 ' CZ ' ' CE2' ' A' ' 17' ' ' PHE . 2.0 m-85 -105.44 153.78 21.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 0.776 . . . . 0.0 110.956 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.761 HG21 ' SG ' ' A' ' 66' ' ' CYS . 2.3 t -142.52 125.92 14.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.475 HD23 ' H ' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -79.55 144.16 34.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.293 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.598 ' CB ' HG22 ' A' ' 62' ' ' THR . 0.0 OUTLIER -57.51 -21.98 41.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 110.266 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.447 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 14.6 t -50.44 -59.29 4.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 110.011 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.749 ' CE1' ' CG2' ' A' ' 36' ' ' THR . 21.2 p90 -117.42 83.99 2.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.967 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.878 HD12 ' H ' ' A' ' 82' ' ' ALA . 0.1 OUTLIER -166.42 173.3 10.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.576 1.173 . . . . 0.0 109.285 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.878 ' H ' HD12 ' A' ' 81' ' ' LEU . . . -76.42 174.11 10.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.934 ' CE2' ' CD2' ' A' ' 17' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.491 0.186 . . . . 0.0 111.047 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.491 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 0.8 OUTLIER -59.27 -29.76 67.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.338 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.33 -60.23 3.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.491 ' HG2' ' CD ' ' A' ' 43' ' ' ARG . 19.9 tptt -82.73 -33.7 27.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.26 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 1.213 ' O ' ' N ' ' A' ' 19' ' ' TYR . 12.3 m-85 -88.98 27.98 1.26 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -34.96 6.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.348 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 1.213 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -64.75 122.76 17.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.975 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -101.64 97.97 8.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.147 . . . . 0.0 109.295 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.693 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.83 -170.02 16.15 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.43 1.081 . . . . 0.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -100.82 92.81 5.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 0.801 . . . . 0.0 110.335 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.853 HG12 HD13 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -65.72 107.32 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.433 ' O ' ' HG3' ' A' ' 24' ' ' ARG . 16.6 ptm180 -154.43 125.63 7.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.322 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 1.116 HG21 ' CG ' ' A' ' 54' ' ' GLU . 4.2 p -73.1 99.03 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.13 -47.89 7.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 1.093 ' CE2' HG11 ' A' ' 55' ' ' VAL . 33.2 p90 -126.79 87.52 2.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.678 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 86.0 p -71.91 111.26 7.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 110.032 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 1.033 HG21 HD21 ' A' ' 81' ' ' LEU . 1.8 t -89.47 158.39 17.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 110.359 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.868 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 0.4 OUTLIER -103.67 137.01 42.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.329 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.682 ' CG1' HD12 ' A' ' 35' ' ' ILE . 1.8 t -73.64 145.48 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.869 HG23 ' H ' ' A' ' 34' ' ' SER . 2.4 t -94.82 178.55 5.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 110.419 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.472 ' HA ' ' HB2' ' A' ' 49' ' ' PRO . 6.8 t -80.26 -24.55 40.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.386 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.869 ' H ' HG23 ' A' ' 32' ' ' THR . 20.6 t -91.75 14.48 15.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.046 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.682 HD12 ' CG1' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -70.23 172.21 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.895 HG23 ' CZ3' ' A' ' 40' ' ' TRP . 5.0 t -69.2 117.41 10.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.431 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.407 ' HB3' ' HD3' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -118.13 -28.33 5.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.977 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.424 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 13.6 pttp -103.53 -47.26 4.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.243 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.549 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -67.57 123.63 20.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.895 ' CZ3' HG23 ' A' ' 36' ' ' THR . 7.6 m95 -143.81 130.29 20.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 108.005 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.473 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -118.25 159.69 14.18 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.534 1.146 . . . . 0.0 110.987 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -56.51 -35.7 68.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 0.784 . . . . 0.0 110.385 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.639 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 6.0 mtm180 -96.79 7.23 47.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.473 ' CB ' ' H ' ' A' ' 41' ' ' GLY . 0.5 OUTLIER -104.43 162.06 13.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.852 HD23 ' CG1' ' A' ' 47' ' ' VAL . 4.2 tp -97.08 152.38 18.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.568 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 5.5 tt0 -88.74 31.59 0.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 110.352 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.852 ' CG1' HD23 ' A' ' 45' ' ' LEU . 27.1 m -64.0 161.3 2.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.69 158.26 39.35 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.638 ' CA ' HG22 ' A' ' 35' ' ' ILE . 18.3 Cg_endo -75.0 125.03 9.06 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.501 1.79 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 32' ' ' THR . . . 100.42 13.01 36.84 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.552 1.158 . . . . 0.0 110.997 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.594 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -104.65 171.96 7.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 0.778 . . . . 0.0 110.339 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.22 129.74 43.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.013 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.779 HD23 ' HB3' ' A' ' 66' ' ' CYS . 62.0 tp -139.97 166.07 25.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.352 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 1.116 ' CG ' HG21 ' A' ' 25' ' ' VAL . 0.8 OUTLIER -77.4 133.13 38.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 1.093 HG11 ' CE2' ' A' ' 27' ' ' TYR . 2.1 t -102.94 130.62 52.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.967 HG22 ' H ' ' A' ' 57' ' ' GLN . 5.3 mt -92.26 -137.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.967 ' H ' HG22 ' A' ' 56' ' ' ILE . 20.0 mm100 -94.61 157.01 16.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.362 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.67 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 3.1 p -67.41 122.92 19.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 110.432 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.629 ' OG1' ' CE1' ' A' ' 75' ' ' TYR . 1.4 m -54.78 -74.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.428 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.417 ' CG ' ' N ' ' A' ' 61' ' ' ASP . 5.8 t70 -104.9 -91.68 0.38 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.417 ' N ' ' CG ' ' A' ' 60' ' ' ASP . 42.2 m-20 -118.08 -56.77 2.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.657 HG22 ' CB ' ' A' ' 78' ' ' ARG . 0.6 OUTLIER -117.53 69.52 0.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.405 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.67 ' O ' ' HA ' ' A' ' 58' ' ' THR . 0.6 OUTLIER -158.23 129.78 6.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.269 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.537 HG22 ' HG ' ' A' ' 81' ' ' LEU . 3.8 m -120.82 126.84 75.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.847 HD21 HD12 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -88.72 121.72 31.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.864 ' SG ' HG21 ' A' ' 76' ' ' VAL . 35.6 m -93.71 155.39 17.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 108.263 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.779 ' O ' HD11 ' A' ' 53' ' ' LEU . 0.7 OUTLIER -136.27 143.25 44.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 110.334 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 72' ' ' LYS . 0.1 OUTLIER -120.22 145.95 46.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.94 -15.46 1.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 110.317 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.405 ' N ' ' C ' ' A' ' 68' ' ' ASN . 7.5 tp10 -59.48 -11.55 4.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 110.331 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 82.0 26.82 47.72 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.445 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 2.1 ttpm? -124.08 146.47 48.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 0.753 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.725 ' CD2' ' HG3' ' A' ' 67' ' ' ARG . 35.8 m-85 -119.06 153.8 34.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.967 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.801 ' O ' HD12 ' A' ' 65' ' ' LEU . . . -158.2 161.6 31.72 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.889 ' CZ ' ' CE2' ' A' ' 17' ' ' PHE . 11.9 m-85 -102.96 153.64 20.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 0.752 . . . . 0.0 110.993 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.864 HG21 ' SG ' ' A' ' 66' ' ' CYS . 2.2 t -133.32 126.38 52.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.424 HD23 ' H ' ' A' ' 78' ' ' ARG . 0.1 OUTLIER -75.8 142.74 42.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.337 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.657 ' CB ' HG22 ' A' ' 62' ' ' THR . 0.0 OUTLIER -57.24 -22.89 44.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.27 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 17.6 t -48.94 -59.06 3.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.988 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.69 ' CE1' HG21 ' A' ' 36' ' ' THR . 6.4 p90 -117.9 80.3 1.49 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 111.013 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 1.059 HD13 ' O ' ' A' ' 82' ' ' ALA . 0.8 OUTLIER -163.23 143.74 9.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 109.344 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 1.059 ' O ' HD13 ' A' ' 81' ' ' LEU . . . -55.45 174.8 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.944 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.858 ' CE2' ' CD2' ' A' ' 17' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.481 0.182 . . . . 0.0 110.994 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.52 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 13.7 ttt180 -59.63 -28.47 67.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.425 ' CE ' ' HB2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -54.78 -59.07 5.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.265 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.425 ' HB2' ' CE ' ' A' ' 15' ' ' LYS . 1.3 tptt -84.61 -31.16 24.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 1.201 ' O ' ' N ' ' A' ' 19' ' ' TYR . 13.5 m-85 -86.93 29.56 0.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.981 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -34.87 7.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 1.201 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -65.3 121.87 15.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.972 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -100.12 98.09 8.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.698 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.68 -169.89 15.93 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.548 1.155 . . . . 0.0 111.021 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -103.19 92.37 4.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 0.788 . . . . 0.0 110.287 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.865 HG12 HD13 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -66.97 108.4 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.66 115.58 3.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.341 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.93 HG11 ' HG2' ' A' ' 54' ' ' GLU . 65.2 t -66.33 99.88 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.336 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.85 -47.31 7.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 1.06 ' CE2' HG11 ' A' ' 55' ' ' VAL . 38.4 p90 -125.84 89.79 3.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.987 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.703 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 14.4 t -74.38 110.52 8.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.011 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.884 HG21 HD21 ' A' ' 81' ' ' LEU . 1.4 t -90.49 159.95 16.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.398 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.774 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 4.3 mtmp? -103.15 137.76 40.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.664 ' CG1' HD12 ' A' ' 35' ' ' ILE . 1.8 t -71.09 144.32 13.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.634 HG23 ' H ' ' A' ' 34' ' ' SER . 8.0 t -94.14 179.33 5.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.449 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.452 ' HA ' ' HB2' ' A' ' 49' ' ' PRO . 5.8 t -80.53 -25.29 38.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 110.418 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.634 ' H ' HG23 ' A' ' 32' ' ' THR . 19.2 t -90.18 14.02 13.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.043 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.664 HD12 ' CG1' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -70.35 171.7 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.284 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.883 HG23 ' CZ3' ' A' ' 40' ' ' TRP . 4.3 t -69.12 117.59 10.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 110.429 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.402 ' HB2' ' HD3' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -118.85 -27.88 5.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 109.993 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.428 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 0.2 OUTLIER -103.39 -47.44 4.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.579 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -67.7 123.59 20.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.883 ' CZ3' HG23 ' A' ' 36' ' ' THR . 6.9 m95 -143.67 129.4 19.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 108.002 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.465 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -118.77 159.37 14.44 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.521 1.138 . . . . 0.0 110.95 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -56.41 -35.87 68.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 0.75 . . . . 0.0 110.402 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.661 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 10.0 mtm180 -96.78 7.08 47.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.443 1.089 . . . . 0.0 110.311 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.465 ' CB ' ' H ' ' A' ' 41' ' ' GLY . 0.4 OUTLIER -104.08 163.1 12.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 1.009 HD23 ' CG1' ' A' ' 47' ' ' VAL . 5.4 tp -97.34 150.49 20.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.6 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 5.4 tt0 -88.46 31.38 0.83 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 110.289 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 1.009 ' CG1' HD23 ' A' ' 45' ' ' LEU . 34.3 m -64.02 160.46 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.36 157.96 38.58 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.642 ' CA ' HG22 ' A' ' 35' ' ' ILE . 18.4 Cg_endo -75.02 124.77 8.86 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.486 1.782 . . . . 0.0 111.03 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 32' ' ' THR . . . 100.82 13.37 34.62 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.485 1.116 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.56 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.5 OUTLIER -104.93 171.85 7.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 0.789 . . . . 0.0 110.286 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.21 130.07 48.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.989 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.757 HD11 ' O ' ' A' ' 67' ' ' ARG . 61.7 tp -140.25 165.8 26.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.93 ' HG2' HG11 ' A' ' 25' ' ' VAL . 3.5 mt-10 -77.73 134.37 38.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 1.06 HG11 ' CE2' ' A' ' 27' ' ' TYR . 2.2 t -104.16 130.16 55.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.978 HG22 ' H ' ' A' ' 57' ' ' GLN . 12.5 mt -91.92 -137.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.978 ' H ' HG22 ' A' ' 56' ' ' ILE . 11.6 tt0 -95.15 156.92 16.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.313 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.643 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 3.1 p -67.66 124.67 23.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 110.383 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.545 ' HB ' ' HB3' ' A' ' 63' ' ' LYS . 1.4 m -56.08 -74.88 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.538 1.148 . . . . 0.0 110.428 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -105.61 -91.52 0.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -117.98 -56.97 2.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.52 HG22 ' CB ' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -116.96 69.09 0.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.413 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.643 ' O ' ' HA ' ' A' ' 58' ' ' THR . 0.0 OUTLIER -158.13 129.69 6.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.277 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.533 HG22 ' HG ' ' A' ' 81' ' ' LEU . 3.8 m -121.59 126.21 74.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.358 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.866 HD12 ' O ' ' A' ' 74' ' ' GLY . 0.1 OUTLIER -89.49 121.25 31.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.783 ' SG ' HG21 ' A' ' 76' ' ' VAL . 34.6 m -90.14 158.6 17.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 108.299 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.757 ' O ' HD11 ' A' ' 53' ' ' LEU . 6.6 ttm180 -134.36 142.91 47.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.334 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.416 ' C ' ' H ' ' A' ' 70' ' ' GLU . 0.5 OUTLIER -121.03 142.51 49.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.347 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -57.3 -10.01 1.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 110.251 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.416 ' H ' ' C ' ' A' ' 68' ' ' ASN . 3.5 tp10 -61.06 -9.32 4.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 110.343 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 85.82 14.32 67.75 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.498 1.124 . . . . 0.0 111.032 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.94 156.95 37.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 0.789 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.822 ' CE2' HD13 ' A' ' 23' ' ' ILE . 4.5 m-85 -119.56 166.23 13.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 111.023 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.866 ' O ' HD12 ' A' ' 65' ' ' LEU . . . -157.75 158.7 29.29 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.525 1.141 . . . . 0.0 111.004 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.893 ' CZ ' ' CE2' ' A' ' 17' ' ' PHE . 4.5 m-85 -104.31 154.53 19.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 0.77 . . . . 0.0 110.985 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.783 HG21 ' SG ' ' A' ' 66' ' ' CYS . 2.2 t -140.16 125.52 20.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.449 HD23 ' H ' ' A' ' 78' ' ' ARG . 0.1 OUTLIER -77.02 143.85 39.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.52 ' CB ' HG22 ' A' ' 62' ' ' THR . 0.0 OUTLIER -56.99 -23.13 43.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.289 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.63 -59.68 3.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.987 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.733 ' CE1' HG21 ' A' ' 36' ' ' THR . 18.6 p90 -117.98 79.93 1.44 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 110.971 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 1.176 HD22 ' N ' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -165.25 140.46 5.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 1.176 ' N ' HD22 ' A' ' 81' ' ' LEU . . . -53.96 171.28 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.238 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.433 0 O-C-N 124.45 1.094 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.783 ' O ' ' HB2' ' A' ' 17' ' ' PHE . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.477 0.179 . . . . 0.0 111.001 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.437 ' N ' ' CD2' ' A' ' 13' ' ' PHE . 4.1 ttt-85 -60.24 -28.31 67.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.308 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.51 -59.45 4.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.498 ' CG ' ' HD3' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -84.16 -32.6 24.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 1.2 ' O ' ' N ' ' A' ' 19' ' ' TYR . 10.5 m-85 -87.67 29.04 0.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -34.95 6.95 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 1.2 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -64.6 121.41 14.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 179.944 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -99.51 97.82 8.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.7 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.61 -169.75 15.74 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.454 1.096 . . . . 0.0 111.002 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -102.92 92.67 4.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 0.761 . . . . 0.0 110.272 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.857 HD13 ' CE2' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -67.19 108.54 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.336 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.403 ' CD ' ' O ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -154.34 116.54 4.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.163 . . . . 0.0 110.276 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.852 HG21 ' CG ' ' A' ' 54' ' ' GLU . 7.5 p -65.1 99.01 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -90.9 -48.36 7.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 1.148 ' CE2' HG11 ' A' ' 55' ' ' VAL . 34.5 p90 -127.65 84.93 2.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 110.973 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.749 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 12.2 p -72.77 110.67 7.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.992 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.755 HG22 ' CG2' ' A' ' 55' ' ' VAL . 3.1 t -85.33 161.24 19.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.368 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.94 136.61 40.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.623 ' CG1' HG21 ' A' ' 35' ' ' ILE . 1.6 t -73.66 119.15 20.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.77 HG23 ' H ' ' A' ' 34' ' ' SER . 12.1 t -77.91 178.87 7.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.437 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.524 ' HA ' ' HB2' ' A' ' 49' ' ' PRO . 1.3 t -80.04 -11.37 59.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 110.399 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.77 ' H ' HG23 ' A' ' 32' ' ' THR . 1.2 t -99.48 13.25 33.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 109.998 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.677 HG22 ' CA ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -70.78 171.58 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.881 ' O ' ' CH2' ' A' ' 40' ' ' TRP . 1.7 t -69.88 117.38 11.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 110.382 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -119.24 -28.09 5.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.954 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.438 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -103.36 -48.58 3.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.551 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -68.19 124.24 22.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 109.337 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.881 ' CH2' ' O ' ' A' ' 36' ' ' THR . 7.3 m95 -143.87 132.23 22.07 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.015 -1.105 . . . . 0.0 108.015 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.451 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -119.45 158.63 15.0 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.502 1.126 . . . . 0.0 111.041 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.7 t -56.33 -35.7 67.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 0.784 . . . . 0.0 110.419 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.631 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 8.1 mtm180 -97.43 7.21 46.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.326 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.451 ' CB ' ' H ' ' A' ' 41' ' ' GLY . 0.3 OUTLIER -103.34 163.76 12.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.897 HD13 ' HA3' ' A' ' 74' ' ' GLY . 4.7 tp -97.45 151.87 19.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.608 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 5.1 tt0 -89.32 30.85 0.94 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.278 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.802 ' O ' ' CH2' ' A' ' 40' ' ' TRP . 16.1 m -63.87 160.16 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.316 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -114.26 156.18 44.65 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.677 ' CA ' HG22 ' A' ' 35' ' ' ILE . 18.2 Cg_endo -74.97 129.09 12.04 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.53 1.806 . . . . 0.0 111.038 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 32' ' ' THR . . . 100.61 12.28 38.49 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.501 1.126 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.62 ' O ' HG23 ' A' ' 31' ' ' VAL . 7.4 tp10 -109.13 171.95 7.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 0.787 . . . . 0.0 110.333 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 29.6 t -110.99 131.15 55.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.992 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 1.043 HD23 ' O ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -140.02 154.48 47.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 109.312 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.852 ' CG ' HG21 ' A' ' 25' ' ' VAL . 0.4 OUTLIER -82.1 134.89 35.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.126 . . . . 0.0 110.29 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 1.148 HG11 ' CE2' ' A' ' 27' ' ' TYR . 2.4 t -104.62 128.43 58.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.581 1.176 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.97 HG22 ' H ' ' A' ' 57' ' ' GLN . 4.9 mt -92.98 -137.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.97 ' H ' HG22 ' A' ' 56' ' ' ILE . 12.1 tt0 -94.09 156.19 16.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 110.297 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.64 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 1.4 p -67.59 121.08 15.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.397 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.468 ' HB ' ' HB3' ' A' ' 63' ' ' LYS . 1.2 m -54.51 -74.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.365 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.407 ' CG ' ' N ' ' A' ' 61' ' ' ASP . 8.1 t0 -104.82 -91.91 0.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.407 ' N ' ' CG ' ' A' ' 60' ' ' ASP . 0.3 OUTLIER -117.88 -57.29 2.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.335 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.445 ' CG2' ' HG2' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -117.83 68.66 0.77 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 110.417 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.64 ' O ' ' HA ' ' A' ' 58' ' ' THR . 41.6 tttt -154.71 130.98 10.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.888 HG12 ' OH ' ' A' ' 27' ' ' TYR . 3.5 m -119.66 128.23 75.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.768 ' CD2' HD12 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -88.09 128.99 35.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.608 ' HB2' HD11 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -91.08 156.7 17.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 108.314 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.677 ' HG3' ' CD2' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -137.62 136.88 37.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 110.285 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.534 ' ND2' ' O ' ' A' ' 72' ' ' LYS . 0.8 OUTLIER -122.48 138.85 54.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.316 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -58.82 -8.89 1.5 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 110.281 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.412 ' H ' ' C ' ' A' ' 68' ' ' ASN . 2.7 tp10 -63.25 -7.16 5.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.276 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.66 11.22 71.54 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.514 1.134 . . . . 0.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.534 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 0.0 OUTLIER -124.33 156.66 36.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 0.762 . . . . 0.0 109.259 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.857 ' CE2' HD13 ' A' ' 23' ' ' ILE . 3.6 m-85 -121.25 168.31 11.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 111.004 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.897 ' HA3' HD13 ' A' ' 45' ' ' LEU . . . -156.95 157.66 28.19 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.443 1.089 . . . . 0.0 111.018 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.898 ' CZ ' ' CE2' ' A' ' 17' ' ' PHE . 3.4 m-85 -104.66 149.84 25.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 0.752 . . . . 0.0 111.033 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.737 ' CG1' HD12 ' A' ' 81' ' ' LEU . 2.1 t -143.22 125.9 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.165 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.446 ' HA ' HD23 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -75.65 138.01 41.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.445 ' HG2' ' CG2' ' A' ' 62' ' ' THR . 0.0 OUTLIER -55.93 -18.38 8.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.1 t -48.06 -57.76 5.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.028 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.77 ' CE1' ' CG2' ' A' ' 36' ' ' THR . 13.8 p90 -115.02 82.78 1.8 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 111.039 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.814 HD23 ' H ' ' A' ' 82' ' ' ALA . 0.3 OUTLIER -166.46 174.08 9.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.814 ' H ' HD23 ' A' ' 81' ' ' LEU . . . -98.68 165.76 11.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.449 ' O ' ' OG1' ' A' ' 29' ' ' THR . 1.1 m-20 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.88 ' CE1' ' CD2' ' A' ' 17' ' ' PHE . 1.1 t80 . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.478 0.18 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.41 ' N ' ' CD2' ' A' ' 13' ' ' PHE . 19.6 ttm180 -59.88 -28.66 67.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 110.289 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.44 ' CE ' ' HD2' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -54.59 -59.0 5.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.258 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.48 ' HG2' ' CD ' ' A' ' 43' ' ' ARG . 0.2 OUTLIER -84.41 -31.65 24.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 1.194 ' O ' ' N ' ' A' ' 19' ' ' TYR . 15.3 m-85 -87.95 29.92 0.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -34.8 6.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 1.194 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -65.15 121.81 15.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 111.012 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -100.48 97.93 8.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.7 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.86 -169.67 15.81 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.468 1.105 . . . . 0.0 110.975 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -102.85 92.78 4.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 0.765 . . . . 0.0 110.298 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.737 HD11 ' CZ ' ' A' ' 13' ' ' PHE . 0.2 OUTLIER -69.02 107.51 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.23 116.82 3.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.09 . . . . 0.0 110.302 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.996 HG11 ' HG2' ' A' ' 54' ' ' GLU . 48.9 t -65.53 99.91 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.418 1.074 . . . . 0.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -90.25 -48.53 7.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 1.127 ' CE2' HG11 ' A' ' 55' ' ' VAL . 31.3 p90 -127.29 86.62 2.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.806 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 68.7 p -71.97 110.1 6.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.01 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.553 HG21 ' CD2' ' A' ' 81' ' ' LEU . 0.6 OUTLIER -88.9 160.88 16.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 110.395 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.429 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -99.84 137.3 38.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 0.0 109.275 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.652 ' CG1' HD12 ' A' ' 35' ' ' ILE . 1.7 t -72.56 122.16 24.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.858 HG23 ' H ' ' A' ' 34' ' ' SER . 10.6 t -76.36 178.57 6.43 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.472 1.107 . . . . 0.0 110.356 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.498 ' HA ' ' HB2' ' A' ' 49' ' ' PRO . 11.4 t -80.64 -16.18 54.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.422 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.858 ' H ' HG23 ' A' ' 32' ' ' THR . 3.3 t -95.26 13.44 25.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.138 . . . . 0.0 110.013 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.692 HG22 ' CA ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -70.6 171.73 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.861 HG23 ' CZ3' ' A' ' 40' ' ' TRP . 2.1 t -70.0 117.93 12.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.393 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.99 -27.74 5.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.008 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.438 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 6.2 ptpp? -104.1 -48.03 3.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.573 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -67.74 124.11 22.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.861 ' CZ3' HG23 ' A' ' 36' ' ' THR . 7.1 m95 -143.93 131.53 21.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 108.023 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.46 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -119.39 159.96 14.51 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.493 1.121 . . . . 0.0 110.932 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.6 p -56.69 -36.34 69.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.772 . . . . 0.0 110.398 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.665 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 4.1 mtm105 -96.5 7.48 46.41 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.125 . . . . 0.0 110.323 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.46 ' CB ' ' H ' ' A' ' 41' ' ' GLY . 0.4 OUTLIER -104.2 163.13 12.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.864 HD23 ' CG1' ' A' ' 47' ' ' VAL . 2.8 tp -98.21 153.78 18.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.601 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 5.3 tt0 -89.27 31.39 0.9 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 110.321 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.864 ' CG1' HD23 ' A' ' 45' ' ' LEU . 25.3 m -63.94 160.54 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.27 155.69 46.59 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.692 ' CA ' HG22 ' A' ' 35' ' ' ILE . 18.3 Cg_endo -74.98 126.01 9.71 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.472 1.775 . . . . 0.0 111.02 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 32' ' ' THR . . . 100.47 16.52 26.75 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.509 1.13 . . . . 0.0 110.964 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.605 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.6 OUTLIER -112.56 172.11 7.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 0.758 . . . . 0.0 110.312 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.2 p -104.9 130.88 52.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.955 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.946 ' C ' HD12 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -140.77 146.38 37.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.303 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.996 ' HG2' HG11 ' A' ' 25' ' ' VAL . 3.6 mt-10 -78.45 129.15 34.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 110.294 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 1.127 HG11 ' CE2' ' A' ' 27' ' ' TYR . 2.9 t -99.09 127.43 51.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.94 HG22 ' H ' ' A' ' 57' ' ' GLN . 2.1 mt -93.35 -138.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.94 ' H ' HG22 ' A' ' 56' ' ' ILE . 32.0 mm-40 -94.58 155.65 16.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.32 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.575 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 4.8 p -67.0 120.91 14.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.436 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.519 ' HB ' ' CG ' ' A' ' 63' ' ' LYS . 1.1 m -53.47 -75.38 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.142 . . . . 0.0 110.402 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.476 ' N ' HG22 ' A' ' 59' ' ' THR . 4.2 t0 -105.47 -91.07 0.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.351 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.422 ' N ' ' CG ' ' A' ' 60' ' ' ASP . 13.7 m-20 -117.16 -57.69 2.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.252 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.502 ' CG2' ' HG3' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -118.84 69.45 0.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.364 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.575 ' O ' ' HA ' ' A' ' 58' ' ' THR . 9.8 tppt? -152.54 130.54 11.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.15 . . . . 0.0 109.351 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.854 HG23 HD13 ' A' ' 81' ' ' LEU . 0.1 OUTLIER -117.9 126.82 75.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 1.031 HD12 ' O ' ' A' ' 74' ' ' GLY . 1.5 tp -87.78 128.26 35.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.868 ' SG ' HD13 ' A' ' 53' ' ' LEU . 1.7 t -89.68 155.57 19.13 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.496 1.122 . . . . 0.0 108.307 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.685 ' HG3' ' CD2' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -137.27 136.54 38.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 72' ' ' LYS . 0.7 OUTLIER -121.73 137.55 54.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.163 . . . . 0.0 109.295 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.29 -8.69 1.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.322 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.427 ' H ' ' C ' ' A' ' 68' ' ' ASN . 2.1 tp10 -63.19 -6.44 4.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 110.342 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 87.13 10.74 70.99 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.521 1.138 . . . . 0.0 111.024 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.496 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 15.9 tttt -124.23 156.69 36.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 0.772 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.737 ' HB2' ' CD1' ' A' ' 13' ' ' PHE . 4.3 m-85 -120.62 168.66 11.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 111.043 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 1.031 ' O ' HD12 ' A' ' 65' ' ' LEU . . . -157.77 159.43 29.89 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.509 1.131 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.891 ' CE2' ' CE2' ' A' ' 17' ' ' PHE . 9.2 m-85 -103.83 151.75 22.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 0.766 . . . . 0.0 111.044 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.707 ' CG1' HD12 ' A' ' 81' ' ' LEU . 1.5 t -143.04 126.59 14.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.574 HD22 ' CD ' ' A' ' 78' ' ' ARG . 0.0 OUTLIER -74.03 136.35 43.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.574 ' CD ' HD22 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -55.58 -19.34 9.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.289 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 30.5 t -47.79 -58.13 4.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.122 . . . . 0.0 110.006 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.746 ' CE1' ' CG2' ' A' ' 36' ' ' THR . 11.3 p90 -114.95 84.51 2.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 111.0 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.972 HD23 ' H ' ' A' ' 82' ' ' ALA . 0.4 OUTLIER -167.48 174.95 7.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 109.251 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.972 ' H ' HD23 ' A' ' 81' ' ' LEU . . . -79.42 172.27 14.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.247 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 109.345 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.971 ' CE1' ' CD2' ' A' ' 17' ' ' PHE . 33.5 t80 . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.541 0.21 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -59.95 -29.32 68.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.306 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.44 -59.35 4.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.475 ' HG2' ' CD ' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -84.6 -34.32 23.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 0.0 109.306 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 1.177 ' O ' ' N ' ' A' ' 19' ' ' TYR . 9.2 m-85 -87.95 27.46 1.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 111.031 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -36.31 8.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 1.177 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -63.23 122.13 15.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.994 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -101.13 97.87 8.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.694 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -147.97 -169.81 15.42 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.502 1.127 . . . . 0.0 111.052 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.53 91.7 4.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 0.753 . . . . 0.0 110.263 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.783 HD13 ' CE2' ' A' ' 73' ' ' TYR . 0.2 OUTLIER -66.92 109.27 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.155 . . . . 0.0 109.321 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.476 ' CA ' HH22 ' A' ' 67' ' ' ARG . 0.0 OUTLIER -152.4 116.24 4.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.143 . . . . 0.0 110.28 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.977 HG11 ' HG2' ' A' ' 54' ' ' GLU . 25.7 t -65.9 100.59 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.53 -48.67 6.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 1.164 ' CE2' HG11 ' A' ' 55' ' ' VAL . 29.7 p90 -128.7 88.41 2.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.978 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.753 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 4.0 p -72.25 111.21 7.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.003 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.913 HG21 HD11 ' A' ' 81' ' ' LEU . 1.3 t -88.64 160.76 17.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 110.411 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.818 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 11.1 tmtt? -100.03 138.73 36.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 51' ' ' GLU . 2.1 t -70.57 115.02 9.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.879 HG22 ' H ' ' A' ' 34' ' ' SER . 1.2 m -74.17 136.06 42.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.389 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.561 ' O ' ' HB2' ' A' ' 49' ' ' PRO . 14.6 t -44.53 -17.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.408 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.879 ' H ' HG22 ' A' ' 32' ' ' THR . 0.1 OUTLIER -91.26 13.39 17.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.988 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.676 HG22 ' CA ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -71.52 173.54 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.883 HG23 ' CZ3' ' A' ' 40' ' ' TRP . 1.6 t -71.48 119.66 15.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.436 1.085 . . . . 0.0 110.389 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.437 ' HB3' ' CD ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER -118.19 -27.88 5.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.959 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.444 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 5.0 ptpp? -104.68 -48.07 3.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.577 ' O ' ' OG1' ' A' ' 36' ' ' THR . 0.0 OUTLIER -67.58 124.68 23.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.229 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.883 ' CZ3' HG23 ' A' ' 36' ' ' THR . 6.8 m95 -144.34 128.83 18.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 108.006 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.456 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -118.13 159.77 14.12 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.528 1.142 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 29.4 p -56.6 -36.0 68.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 0.786 . . . . 0.0 110.441 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.675 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 4.0 mtm180 -95.93 6.91 47.75 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.544 1.152 . . . . 0.0 110.305 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.456 ' CB ' ' H ' ' A' ' 41' ' ' GLY . 0.2 OUTLIER -104.37 162.43 13.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.138 . . . . 0.0 109.264 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 1.057 HD23 ' CG1' ' A' ' 47' ' ' VAL . 5.2 tp -97.98 152.72 18.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.143 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.608 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 5.2 tt0 -88.7 31.16 0.85 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.271 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 1.057 ' CG1' HD23 ' A' ' 45' ' ' LEU . 22.0 m -64.4 160.75 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.47 153.62 44.83 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.676 ' CA ' HG22 ' A' ' 35' ' ' ILE . 18.2 Cg_endo -75.04 127.94 11.06 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.529 1.805 . . . . 0.0 110.973 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.43 11.43 44.81 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.496 1.122 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.708 ' O ' HG23 ' A' ' 31' ' ' VAL . 7.0 tp10 -106.41 170.83 7.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.551 0.795 . . . . 0.0 110.321 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.22 131.06 50.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.976 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.929 ' C ' HD12 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -140.51 145.93 37.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.977 ' HG2' HG11 ' A' ' 25' ' ' VAL . 4.3 mt-10 -78.85 131.64 36.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.27 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 1.164 HG11 ' CE2' ' A' ' 27' ' ' TYR . 2.5 t -100.29 126.26 53.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.429 1.08 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.945 HG22 ' H ' ' A' ' 57' ' ' GLN . 2.6 mt -92.93 -136.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.426 1.079 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.945 ' H ' HG22 ' A' ' 56' ' ' ILE . 33.4 mm-40 -93.33 153.65 18.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.287 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.599 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 1.9 p -66.55 120.64 13.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.394 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.71 HG21 ' HD3' ' A' ' 63' ' ' LYS . 1.2 m -54.1 -74.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.404 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.43 ' CG ' ' N ' ' A' ' 61' ' ' ASP . 3.8 t70 -105.16 -91.23 0.39 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.43 ' N ' ' CG ' ' A' ' 60' ' ' ASP . 85.2 m-20 -118.0 -57.66 2.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.14 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.34 68.76 0.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.408 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.71 ' HD3' HG21 ' A' ' 59' ' ' THR . 24.8 tttp -154.75 130.77 10.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.662 HG22 HD22 ' A' ' 81' ' ' LEU . 32.0 m -118.45 131.67 70.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.685 ' CD2' HD12 ' A' ' 56' ' ' ILE . 0.6 OUTLIER -86.31 126.91 34.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.797 ' SG ' HD13 ' A' ' 53' ' ' LEU . 1.6 t -88.77 155.84 19.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 108.288 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.692 ' NH2' HG23 ' A' ' 25' ' ' VAL . 4.2 ttm180 -137.65 146.38 43.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.282 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.668 ' OD1' HD21 ' A' ' 45' ' ' LEU . 5.9 m120 -117.15 134.78 54.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -54.88 -17.43 3.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.328 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -79.06 -4.18 48.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 88.84 23.54 35.38 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.547 1.154 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.53 123.28 49.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 0.778 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.783 ' CE2' HD13 ' A' ' 23' ' ' ILE . 24.0 m-85 -104.0 156.27 18.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 111.034 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.856 ' HA3' HD13 ' A' ' 45' ' ' LEU . . . -156.75 160.26 30.17 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.893 ' CZ ' ' CE2' ' A' ' 17' ' ' PHE . 2.7 m-85 -102.99 149.96 24.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 0.776 . . . . 0.0 110.983 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.2 t -139.95 125.14 20.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.5 ' CD2' ' HD3' ' A' ' 78' ' ' ARG . 0.1 OUTLIER -78.26 141.81 38.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.565 ' HA ' HD23 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -57.17 -20.0 23.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 110.251 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.0 t -50.58 -60.18 3.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 110.01 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.754 ' CE1' ' CG2' ' A' ' 36' ' ' THR . 17.6 p90 -116.54 84.12 2.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.976 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.913 HD11 HG21 ' A' ' 29' ' ' THR . 0.1 OUTLIER -166.6 174.79 8.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.871 ' H ' HD12 ' A' ' 81' ' ' LEU . . . -79.39 173.52 12.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.438 1.086 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.822 ' CE2' ' CD2' ' A' ' 17' ' ' PHE . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.455 0.169 . . . . 0.0 110.957 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.472 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 9.3 ttp180 -60.06 -28.62 67.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.148 . . . . 0.0 110.353 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.02 -59.15 5.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.444 ' HG2' ' CD ' ' A' ' 43' ' ' ARG . 11.3 tptp -84.63 -32.21 23.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 1.185 ' O ' ' N ' ' A' ' 19' ' ' TYR . 9.0 m-85 -87.33 29.7 0.84 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 111.002 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -35.49 7.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 1.185 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -63.88 121.59 14.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 111.008 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -99.97 98.08 8.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.698 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.67 -169.86 15.89 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.512 1.132 . . . . 0.0 110.975 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -103.22 92.22 4.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 0.754 . . . . 0.0 110.334 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.967 HD13 ' CE2' ' A' ' 73' ' ' TYR . 0.2 OUTLIER -67.7 109.3 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -153.02 116.06 4.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 110.272 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.948 HG11 ' HG2' ' A' ' 54' ' ' GLU . 63.4 t -66.39 99.81 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.64 -47.6 7.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 1.088 ' CE2' HG11 ' A' ' 55' ' ' VAL . 30.5 p90 -125.86 89.53 3.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.754 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 95.0 p -71.95 110.59 6.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.035 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.923 HG21 HD11 ' A' ' 81' ' ' LEU . 1.3 t -89.94 159.38 16.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.411 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.879 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -103.52 137.13 42.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.629 ' CG1' HG21 ' A' ' 35' ' ' ILE . 1.7 t -71.22 121.28 20.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.78 HG23 ' H ' ' A' ' 34' ' ' SER . 13.9 t -75.46 178.46 5.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.416 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.547 ' HA ' ' HB2' ' A' ' 49' ' ' PRO . 2.7 t -80.77 -15.81 55.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.44 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.78 ' H ' HG23 ' A' ' 32' ' ' THR . 8.1 t -96.07 13.67 26.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.011 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.67 HG22 ' CB ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -70.41 170.65 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.849 HG23 ' CZ3' ' A' ' 40' ' ' TRP . 1.7 t -70.33 117.85 12.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.433 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.84 -28.55 5.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.977 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.442 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 0.6 OUTLIER -104.28 -48.07 3.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.569 ' O ' ' OG1' ' A' ' 36' ' ' THR . 0.0 OUTLIER -67.91 125.15 25.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.274 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.849 ' CZ3' HG23 ' A' ' 36' ' ' THR . 7.4 m95 -144.17 131.05 20.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 107.972 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.461 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -118.06 159.87 14.06 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 34.0 p -56.53 -35.69 68.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 0.799 . . . . 0.0 110.399 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.685 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 5.9 mtm180 -95.97 6.62 48.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.331 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.461 ' CB ' ' H ' ' A' ' 41' ' ' GLY . 0.3 OUTLIER -104.41 162.22 13.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.891 HD13 ' HA3' ' A' ' 74' ' ' GLY . 4.3 tp -98.88 157.24 16.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.256 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.593 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 5.5 tt0 -89.35 31.5 0.9 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.789 ' O ' ' CH2' ' A' ' 40' ' ' TRP . 21.5 m -63.65 160.88 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.95 155.6 50.94 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.67 ' CB ' HG22 ' A' ' 35' ' ' ILE . 18.1 Cg_endo -75.04 130.99 13.73 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.531 1.806 . . . . 0.0 110.937 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.6 6.45 52.76 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.456 1.098 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.57 ' O ' HG23 ' A' ' 31' ' ' VAL . 5.6 tt0 -100.28 172.02 7.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 0.782 . . . . 0.0 110.29 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -122.61 128.96 51.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.984 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 1.089 HD22 ' H ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -141.92 154.97 45.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 109.264 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 1.089 ' H ' HD22 ' A' ' 53' ' ' LEU . 2.9 mt-10 -74.71 132.49 41.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 110.306 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 1.088 HG11 ' CE2' ' A' ' 27' ' ' TYR . 2.2 t -101.34 134.17 42.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.944 HG22 ' H ' ' A' ' 57' ' ' GLN . 3.1 mt -92.97 -137.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.944 ' H ' HG22 ' A' ' 56' ' ' ILE . 26.2 mm100 -95.27 157.24 15.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.646 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 2.8 p -66.98 119.42 11.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.386 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.537 HG22 ' N ' ' A' ' 60' ' ' ASP . 0.9 OUTLIER -53.92 -73.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 110.39 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.537 ' N ' HG22 ' A' ' 59' ' ' THR . 3.2 t70 -104.4 -91.29 0.38 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.44 ' N ' ' CG ' ' A' ' 60' ' ' ASP . 4.3 m-20 -117.4 -58.07 2.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.16 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.599 HG21 ' HD2' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -119.21 69.42 0.82 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 110.381 -179.928 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.646 ' O ' ' HA ' ' A' ' 58' ' ' THR . 5.8 ttpt -154.66 130.49 10.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.307 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.667 HG22 HD22 ' A' ' 81' ' ' LEU . 31.5 m -116.93 132.31 67.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.914 HD12 ' O ' ' A' ' 74' ' ' GLY . 13.5 tp -87.72 128.19 35.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.25 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.858 ' SG ' HD22 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -90.84 150.71 21.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 108.318 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.875 ' H ' HD21 ' A' ' 53' ' ' LEU . 1.2 ttt180 -139.31 132.24 29.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.265 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.527 ' ND2' ' O ' ' A' ' 72' ' ' LYS . 0.5 OUTLIER -121.4 138.42 54.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -54.99 -11.57 0.67 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 110.342 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.428 ' N ' ' C ' ' A' ' 68' ' ' ASN . 1.2 tt0 -59.75 -9.04 2.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 110.296 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 87.07 10.87 70.89 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.599 ' CD ' HD11 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -124.74 151.73 44.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 0.742 . . . . 0.0 109.32 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.967 ' CE2' HD13 ' A' ' 23' ' ' ILE . 7.4 m-85 -114.37 170.59 8.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.096 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.914 ' O ' HD12 ' A' ' 65' ' ' LEU . . . -157.35 158.03 28.6 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.499 1.125 . . . . 0.0 111.008 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.888 ' CD2' ' CZ ' ' A' ' 17' ' ' PHE . 1.6 m-85 -105.9 152.1 23.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.775 . . . . 0.0 110.988 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 t -142.19 125.71 15.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 77' ' ' LEU . 0.1 OUTLIER -80.46 142.29 34.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.599 ' HD2' HG21 ' A' ' 62' ' ' THR . 0.0 OUTLIER -58.21 -21.14 46.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.266 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.465 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 0.5 OUTLIER -50.06 -59.69 3.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.988 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.772 ' CE1' ' CG2' ' A' ' 36' ' ' THR . 15.6 p90 -117.57 83.26 1.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.923 HD11 HG21 ' A' ' 29' ' ' THR . 0.1 OUTLIER -166.14 174.56 9.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.879 ' HB2' ' O ' ' A' ' 30' ' ' LYS . . . -76.5 173.39 11.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.328 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.825 ' CE2' ' CD2' ' A' ' 17' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.487 0.184 . . . . 0.0 111.03 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.592 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 4.3 ttp-105 -58.86 -35.65 73.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 110.331 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.433 ' HD3' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -51.67 -57.6 8.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.473 ' CG ' ' HD3' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -83.05 -33.87 26.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.366 179.926 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 1.19 ' O ' ' N ' ' A' ' 19' ' ' TYR . 7.5 m-85 -87.48 29.81 0.85 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.963 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -35.2 7.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 1.19 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -64.3 121.84 15.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 110.979 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -99.55 97.9 8.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.115 . . . . 0.0 109.271 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.698 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.69 -169.72 15.76 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.551 1.157 . . . . 0.0 110.968 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -102.26 92.77 4.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 0.75 . . . . 0.0 110.283 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.852 HG12 HD13 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -68.18 108.53 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.08 116.08 4.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.292 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.933 HG11 ' CG ' ' A' ' 54' ' ' GLU . 60.8 t -66.0 100.19 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -90.62 -49.2 6.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.273 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 1.137 ' CE2' HG11 ' A' ' 55' ' ' VAL . 31.4 p90 -126.95 88.13 2.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.09 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.724 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 70.1 p -71.74 110.89 6.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.981 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.966 HG21 HD11 ' A' ' 81' ' ' LEU . 2.6 t -84.68 160.14 20.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 110.367 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.868 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 0.3 OUTLIER -101.72 135.08 43.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.641 ' CG1' HG21 ' A' ' 35' ' ' ILE . 1.7 t -72.45 120.89 21.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.254 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.897 HG23 ' H ' ' A' ' 34' ' ' SER . 8.2 t -75.91 178.88 5.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.384 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.498 ' HA ' ' HB2' ' A' ' 49' ' ' PRO . 5.3 t -80.8 -15.64 55.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.437 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.897 ' H ' HG23 ' A' ' 32' ' ' THR . 11.4 t -95.88 13.39 26.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.005 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.656 HG22 ' CA ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -70.47 171.32 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.875 ' O ' ' CH2' ' A' ' 40' ' ' TRP . 1.6 t -70.42 117.24 11.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 110.4 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.77 -27.52 5.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.012 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.453 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 1.1 ptpt -104.46 -48.82 3.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.57 ' O ' ' OG1' ' A' ' 36' ' ' THR . 0.0 OUTLIER -68.06 125.47 26.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.875 ' CH2' ' O ' ' A' ' 36' ' ' THR . 7.3 m95 -144.32 130.57 19.69 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.015 -1.105 . . . . 0.0 108.015 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.468 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -118.61 159.6 14.31 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.543 1.152 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 10.7 t -56.37 -35.69 67.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 0.76 . . . . 0.0 110.364 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.669 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 6.7 mtm105 -96.37 7.29 46.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.16 . . . . 0.0 110.278 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.468 ' CB ' ' H ' ' A' ' 41' ' ' GLY . 0.2 OUTLIER -104.86 162.31 13.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.948 HD13 ' HA3' ' A' ' 74' ' ' GLY . 5.0 tp -98.02 154.77 17.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.592 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 6.0 tt0 -89.11 30.54 0.95 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 110.323 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.787 ' O ' ' CH2' ' A' ' 40' ' ' TRP . 19.4 m -63.77 160.04 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.8 mptt -114.68 155.46 46.12 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.656 ' CA ' HG22 ' A' ' 35' ' ' ILE . 18.1 Cg_endo -74.98 126.94 10.31 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.496 1.788 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 32' ' ' THR . . . 101.04 11.45 39.66 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.484 1.115 . . . . 0.0 111.018 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.624 ' O ' HG23 ' A' ' 31' ' ' VAL . 2.8 mp0 -106.87 172.05 7.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 0.753 . . . . 0.0 110.29 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 p -113.17 131.36 55.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.035 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 1.014 HD23 ' O ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -140.47 157.21 45.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.933 ' CG ' HG11 ' A' ' 25' ' ' VAL . 0.9 OUTLIER -81.11 135.31 35.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.338 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 1.137 HG11 ' CE2' ' A' ' 27' ' ' TYR . 2.2 t -104.97 127.91 59.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.968 HG22 ' H ' ' A' ' 57' ' ' GLN . 5.1 mt -93.19 -137.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.252 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.968 ' H ' HG22 ' A' ' 56' ' ' ILE . 28.9 mm100 -93.71 155.2 17.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 110.279 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.64 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 3.0 p -67.3 121.42 15.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 110.415 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.447 ' OG1' ' CE1' ' A' ' 75' ' ' TYR . 1.2 m -54.51 -74.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.41 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.404 ' CG ' ' N ' ' A' ' 61' ' ' ASP . 5.2 t70 -105.47 -91.09 0.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.404 ' N ' ' CG ' ' A' ' 60' ' ' ASP . 4.0 m-20 -117.84 -57.27 2.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.484 HG21 ' HD2' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -118.11 68.83 0.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.427 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.64 ' O ' ' HA ' ' A' ' 58' ' ' THR . 0.0 OUTLIER -155.12 130.91 9.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.272 -179.93 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.653 HG22 HD22 ' A' ' 81' ' ' LEU . 35.1 m -120.04 129.49 75.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.765 ' CD2' HD12 ' A' ' 56' ' ' ILE . 0.2 OUTLIER -87.97 129.13 35.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.633 ' HB2' HD11 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -90.32 155.68 18.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 108.344 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.684 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 16.6 ttp85 -137.85 134.95 35.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.318 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.516 ' ND2' ' O ' ' A' ' 72' ' ' LYS . 0.5 OUTLIER -122.12 138.28 54.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -55.91 -10.79 0.84 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.286 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.423 ' H ' ' C ' ' A' ' 68' ' ' ASN . 2.9 tp10 -63.03 -7.96 6.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 110.287 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.23 10.46 74.45 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.482 1.114 . . . . 0.0 110.998 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.516 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 0.7 OUTLIER -120.1 156.79 30.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 0.756 . . . . 0.0 109.264 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.725 ' HB2' ' CD2' ' A' ' 13' ' ' PHE . 4.4 m-85 -123.49 167.65 13.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 111.008 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.948 ' HA3' HD13 ' A' ' 45' ' ' LEU . . . -157.21 158.02 28.55 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.564 1.165 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.9 ' CZ ' ' CE2' ' A' ' 17' ' ' PHE . 2.3 m-85 -104.57 153.61 20.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 0.737 . . . . 0.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.6 t -142.87 126.03 13.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 77' ' ' LEU . 0.1 OUTLIER -77.89 140.46 39.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.254 -179.934 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.623 ' HA ' HD23 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -57.4 -20.04 27.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 110.287 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.449 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 13.6 t -50.14 -59.38 3.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.971 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.77 ' CE1' ' CG2' ' A' ' 36' ' ' THR . 17.9 p90 -117.01 83.99 2.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.57 1.169 . . . . 0.0 110.985 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.966 HD11 HG21 ' A' ' 29' ' ' THR . 0.1 OUTLIER -167.07 175.31 7.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.896 ' H ' HD12 ' A' ' 81' ' ' LEU . . . -78.95 172.52 13.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.829 ' CE2' ' CD2' ' A' ' 17' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.517 0.199 . . . . 0.0 110.982 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.579 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 4.4 ttp180 -58.31 -36.63 73.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 110.358 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.439 ' HD3' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -51.81 -57.27 9.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.447 ' HA ' ' CE ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -82.51 -34.7 27.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 1.189 ' O ' ' N ' ' A' ' 19' ' ' TYR . 9.6 m-85 -87.3 29.86 0.83 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.965 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt -35.45 8.3 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 1.189 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -63.64 121.74 14.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 111.066 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -99.16 98.05 9.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.291 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.705 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.41 -169.73 15.6 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.524 1.14 . . . . 0.0 111.038 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -103.0 92.65 4.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 0.782 . . . . 0.0 110.29 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.687 HD13 ' CE2' ' A' ' 73' ' ' TYR . 0.2 OUTLIER -70.38 109.53 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.25 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.452 ' CA ' HH22 ' A' ' 67' ' ' ARG . 42.7 tpt85 -152.87 115.82 4.58 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 110.306 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.739 HG11 ' HG3' ' A' ' 54' ' ' GLU . 40.4 t -66.04 99.26 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.82 -48.46 6.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 1.153 ' CE2' HG11 ' A' ' 55' ' ' VAL . 28.5 p90 -128.19 87.73 2.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.702 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 77.5 p -72.28 109.27 5.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.576 1.172 . . . . 0.0 109.961 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.92 HG21 HD11 ' A' ' 81' ' ' LEU . 1.3 t -85.62 159.56 19.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 110.414 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.881 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 0.7 OUTLIER -101.82 136.86 40.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.645 ' CG1' HG21 ' A' ' 35' ' ' ILE . 1.7 t -70.72 121.72 21.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.783 HG23 ' H ' ' A' ' 34' ' ' SER . 11.1 t -76.06 178.84 6.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.425 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.493 ' HA ' ' HB2' ' A' ' 49' ' ' PRO . 12.1 t -80.31 -18.92 47.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.385 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.783 ' H ' HG23 ' A' ' 32' ' ' THR . 48.4 t -92.94 13.46 20.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.033 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.668 HG22 ' CA ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -70.79 171.58 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.854 HG23 ' CZ3' ' A' ' 40' ' ' TRP . 1.7 t -70.94 118.41 13.68 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.478 1.111 . . . . 0.0 110.385 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.93 -27.65 5.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.012 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.447 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 3.1 pttt -104.41 -48.33 3.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.561 ' O ' ' OG1' ' A' ' 36' ' ' THR . 0.0 OUTLIER -67.79 124.63 23.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.356 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.854 ' CZ3' HG23 ' A' ' 36' ' ' THR . 6.8 m95 -144.03 129.35 18.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 108.039 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.469 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -118.37 159.86 14.14 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.51 1.131 . . . . 0.0 110.979 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.7 t -56.61 -35.88 68.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 0.755 . . . . 0.0 110.423 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.676 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 11.1 mtm180 -96.31 7.12 47.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 110.313 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.469 ' CB ' ' H ' ' A' ' 41' ' ' GLY . 0.3 OUTLIER -104.19 163.23 12.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 1.033 HD23 ' CG1' ' A' ' 47' ' ' VAL . 7.4 tp -98.64 153.06 18.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.596 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 4.7 tt0 -88.45 30.76 0.86 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.557 1.161 . . . . 0.0 110.284 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 1.033 ' CG1' HD23 ' A' ' 45' ' ' LEU . 20.4 m -64.28 160.91 2.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.77 156.2 45.25 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.668 ' CA ' HG22 ' A' ' 35' ' ' ILE . 18.3 Cg_endo -75.02 124.88 8.94 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.517 1.798 . . . . 0.0 110.982 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 32' ' ' THR . . . 101.37 10.13 42.46 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.485 1.116 . . . . 0.0 110.969 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.597 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.4 OUTLIER -104.26 171.94 7.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 0.777 . . . . 0.0 110.259 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.8 p -108.72 131.75 54.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 110.009 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 1.097 HD23 ' O ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -141.14 152.24 44.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.289 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.739 ' HG3' HG11 ' A' ' 25' ' ' VAL . 1.4 mp0 -79.73 135.12 36.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.339 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 1.153 HG11 ' CE2' ' A' ' 27' ' ' TYR . 2.4 t -105.07 125.59 60.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.981 HG22 ' H ' ' A' ' 57' ' ' GLN . 4.2 mt -91.82 -136.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.981 ' H ' HG22 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -93.98 154.21 17.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 0.0 110.28 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.604 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 2.3 p -67.33 121.21 15.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 110.382 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.472 ' HB ' ' CG ' ' A' ' 63' ' ' LYS . 1.3 m -54.3 -75.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.412 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.445 ' OD2' ' N ' ' A' ' 61' ' ' ASP . 4.2 t70 -105.77 -91.56 0.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.445 ' N ' ' OD2' ' A' ' 60' ' ' ASP . 10.2 m-20 -117.37 -57.37 2.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.477 HG21 ' HD2' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -117.91 68.74 0.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.417 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.604 ' O ' ' HA ' ' A' ' 58' ' ' THR . 0.7 OUTLIER -155.17 130.12 9.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 109.281 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.649 HG22 HD22 ' A' ' 81' ' ' LEU . 34.8 m -119.47 129.59 75.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.655 ' CD2' HD12 ' A' ' 56' ' ' ILE . 0.4 OUTLIER -86.97 124.83 33.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.258 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.751 ' SG ' HD22 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -90.03 158.59 17.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 108.289 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.695 ' NH2' HG23 ' A' ' 25' ' ' VAL . 7.2 ttm180 -134.24 144.58 48.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.302 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.422 ' ND2' ' HB3' ' A' ' 70' ' ' GLU . 55.0 t30 -118.87 130.44 55.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.137 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -54.14 -16.62 2.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.321 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.422 ' HB3' ' ND2' ' A' ' 68' ' ' ASN . 28.9 tt0 -71.69 -5.52 34.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.296 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 87.77 15.34 61.61 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.526 1.141 . . . . 0.0 110.979 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 20.1 ttpt -117.27 123.61 47.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 0.751 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.687 ' CE2' HD13 ' A' ' 23' ' ' ILE . 5.1 m-85 -95.61 165.93 12.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 111.028 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.665 ' HA3' HD13 ' A' ' 45' ' ' LEU . . . -156.88 158.5 28.85 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.472 1.107 . . . . 0.0 110.963 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.853 ' CZ ' ' CE2' ' A' ' 17' ' ' PHE . 3.0 m-85 -104.6 152.3 22.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 0.744 . . . . 0.0 110.982 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.437 ' O ' ' CD ' ' A' ' 63' ' ' LYS . 2.4 t -142.66 125.79 14.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 77' ' ' LEU . 0.1 OUTLIER -78.4 141.93 37.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.602 ' HA ' HD23 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -57.33 -20.58 29.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.445 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -50.78 -60.11 3.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.961 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.756 ' CE1' ' CG2' ' A' ' 36' ' ' THR . 19.7 p90 -116.58 83.78 2.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 111.01 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.92 HD11 HG21 ' A' ' 29' ' ' THR . 0.1 OUTLIER -166.06 175.74 8.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.885 ' H ' HD12 ' A' ' 81' ' ' LEU . . . -78.76 173.12 12.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.328 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.934 ' CE1' ' CD2' ' A' ' 17' ' ' PHE . 23.7 t80 . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.47 0.176 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 -59.41 -29.72 67.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.304 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.85 -58.87 5.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.457 ' HG2' ' CD ' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -84.68 -33.66 23.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 1.196 ' O ' ' N ' ' A' ' 19' ' ' TYR . 23.1 m-85 -88.1 27.23 1.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -35.38 7.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 1.196 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -64.88 122.64 17.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 110.981 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -100.95 97.83 8.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.69 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.47 -169.85 15.75 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.535 1.147 . . . . 0.0 110.984 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 55.9 tt0 -102.23 92.74 4.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 0.764 . . . . 0.0 110.358 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.862 HG12 HD13 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -67.01 108.67 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -154.63 117.32 4.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.3 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.919 HG21 ' CG ' ' A' ' 54' ' ' GLU . 7.2 p -66.54 100.37 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -89.95 -49.4 6.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 1.151 ' CE2' HG11 ' A' ' 55' ' ' VAL . 30.2 p90 -126.94 86.63 2.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.965 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.703 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 56.0 p -72.02 109.96 6.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.009 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.871 HG21 HD11 ' A' ' 81' ' ' LEU . 2.1 t -86.71 161.35 18.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.413 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.864 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 4.0 tttm -98.86 136.75 38.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 109.347 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.686 HG23 ' O ' ' A' ' 51' ' ' GLU . 2.0 t -70.39 118.62 15.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.627 ' O ' ' HB ' ' A' ' 35' ' ' ILE . 92.4 m -74.55 137.07 42.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.401 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.573 ' O ' ' HB2' ' A' ' 49' ' ' PRO . 8.9 t -46.85 -14.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.405 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.504 ' N ' ' C ' ' A' ' 32' ' ' THR . 1.6 t -95.77 13.84 25.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.955 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.707 HG22 ' CA ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -70.87 173.45 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.9 HG23 ' CZ3' ' A' ' 40' ' ' TRP . 2.1 t -70.38 120.72 16.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.413 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.54 -27.72 5.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 109.961 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.433 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 1.2 pttt -104.09 -47.55 4.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.26 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.598 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -67.48 124.14 22.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.9 ' CZ3' HG23 ' A' ' 36' ' ' THR . 5.8 m95 -143.98 129.57 19.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 108.008 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.443 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -118.15 159.88 14.07 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.547 1.154 . . . . 0.0 111.002 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.9 t -56.93 -36.87 70.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.779 . . . . 0.0 110.39 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.634 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 5.2 mtm180 -96.33 7.06 47.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 110.279 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.443 ' CB ' ' H ' ' A' ' 41' ' ' GLY . 0.2 OUTLIER -104.03 162.73 12.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.253 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 1.07 HD23 ' CG1' ' A' ' 47' ' ' VAL . 7.8 tp -97.81 149.97 21.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.531 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 1.0 OUTLIER -88.2 31.2 0.81 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 110.278 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 1.07 ' CG1' HD23 ' A' ' 45' ' ' LEU . 29.3 m -64.12 161.16 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.128 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.65 154.85 43.78 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.707 ' CA ' HG22 ' A' ' 35' ' ' ILE . 18.2 Cg_endo -75.02 128.49 11.52 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.483 1.78 . . . . 0.0 110.966 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.19 12.61 41.82 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.452 1.095 . . . . 0.0 111.0 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.686 ' O ' HG23 ' A' ' 31' ' ' VAL . 1.7 mp0 -107.38 172.67 6.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 0.772 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.7 p -111.16 131.04 55.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.031 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 1.029 HD23 ' O ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -139.3 156.69 46.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.919 ' CG ' HG21 ' A' ' 25' ' ' VAL . 0.5 OUTLIER -81.79 133.12 35.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 110.305 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 1.151 HG11 ' CE2' ' A' ' 27' ' ' TYR . 2.3 t -103.46 126.54 57.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.985 HG22 ' H ' ' A' ' 57' ' ' GLN . 4.8 mt -92.15 -137.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.985 ' H ' HG22 ' A' ' 56' ' ' ILE . 29.9 mm-40 -94.59 155.03 17.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.304 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.62 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 6.6 p -67.53 122.48 18.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 110.425 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.48 ' HB ' ' CG ' ' A' ' 63' ' ' LYS . 1.3 m -55.34 -75.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.367 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.407 ' CG ' ' N ' ' A' ' 61' ' ' ASP . 4.7 t70 -105.72 -91.18 0.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.407 ' N ' ' CG ' ' A' ' 60' ' ' ASP . 6.6 m-20 -117.82 -57.05 2.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.42 HG22 ' CB ' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -117.52 68.3 0.75 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 110.415 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.62 ' O ' ' HA ' ' A' ' 58' ' ' THR . 0.1 OUTLIER -155.54 131.6 10.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 -179.918 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.71 ' O ' HG12 ' A' ' 76' ' ' VAL . 22.6 m -121.57 130.61 74.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.24 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.758 ' CD2' HD12 ' A' ' 56' ' ' ILE . 0.5 OUTLIER -87.81 124.47 33.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.573 1.171 . . . . 0.0 109.325 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.758 ' SG ' HD22 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -89.68 157.42 18.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 108.265 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.683 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 0.4 OUTLIER -134.67 145.83 48.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.319 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -118.63 130.77 56.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -54.2 -18.52 3.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.464 1.103 . . . . 0.0 110.261 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -73.23 -4.77 35.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 110.288 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 88.21 17.49 57.37 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.538 1.149 . . . . 0.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.2 ttpt -113.6 124.17 51.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 0.779 . . . . 0.0 109.33 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.8 ' CE2' HD13 ' A' ' 23' ' ' ILE . 6.3 m-85 -101.72 161.0 13.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.995 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.574 ' HA3' HD13 ' A' ' 45' ' ' LEU . . . -156.6 159.55 29.59 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.539 1.149 . . . . 0.0 110.97 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.869 ' CZ ' ' CE2' ' A' ' 17' ' ' PHE . 2.4 m-85 -104.06 150.16 24.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.71 HG12 ' O ' ' A' ' 64' ' ' VAL . 1.3 p -138.66 125.21 25.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.416 HD23 ' H ' ' A' ' 78' ' ' ARG . 0.1 OUTLIER -77.65 141.89 39.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.608 ' HA ' HD23 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -56.96 -21.33 29.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.165 . . . . 0.0 110.3 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.429 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 27.7 t -50.31 -59.75 3.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 109.94 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.767 ' CE1' ' CG2' ' A' ' 36' ' ' THR . 20.6 p90 -116.46 84.2 2.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 111.042 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.952 HD12 ' H ' ' A' ' 82' ' ' ALA . 0.1 OUTLIER -166.05 174.48 9.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.952 ' H ' HD12 ' A' ' 81' ' ' LEU . . . -83.16 173.7 11.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.552 ' OD1' ' N ' ' A' ' 83' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.968 ' CE2' ' CD2' ' A' ' 17' ' ' PHE . 1.6 t80 . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.517 0.199 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.448 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 13.2 ptm180 -60.47 -29.21 68.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.306 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.49 -58.71 6.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.412 ' HG2' ' HD3' ' A' ' 43' ' ' ARG . 1.1 tttt -84.84 -30.67 24.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 1.219 ' O ' ' N ' ' A' ' 19' ' ' TYR . 6.5 m-85 -87.21 29.4 0.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 111.013 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -34.64 6.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 1.219 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -65.03 122.01 16.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.969 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -100.67 98.02 8.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.27 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.694 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.49 -169.89 15.81 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.526 1.141 . . . . 0.0 110.957 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -102.01 91.83 4.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 0.74 . . . . 0.0 110.337 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.814 HD13 ' CE2' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -66.31 108.66 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.429 ' H ' HG23 ' A' ' 56' ' ' ILE . 0.2 OUTLIER -154.41 146.37 23.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.335 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.997 HG11 ' CG ' ' A' ' 54' ' ' GLU . 32.7 t -95.5 99.48 9.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -90.79 -48.7 6.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 1.153 ' CE2' HG11 ' A' ' 55' ' ' VAL . 30.0 p90 -126.6 87.43 2.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.993 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.714 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 43.0 p -71.08 111.73 6.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.98 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.697 HG22 ' CG2' ' A' ' 55' ' ' VAL . 1.3 t -90.99 161.1 15.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 110.409 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.748 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 1.4 ttmm -99.86 138.17 37.31 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.705 HG23 ' O ' ' A' ' 51' ' ' GLU . 1.7 t -71.2 121.51 21.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.885 HG22 ' H ' ' A' ' 34' ' ' SER . 1.3 m -74.7 134.93 41.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.397 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.544 ' O ' ' HB2' ' A' ' 49' ' ' PRO . 8.8 t -46.13 -15.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.408 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.885 ' H ' HG22 ' A' ' 32' ' ' THR . 1.4 p -95.68 13.4 26.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.978 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.714 HG22 ' CA ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -71.08 172.92 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.942 HG23 ' CZ3' ' A' ' 40' ' ' TRP . 2.2 t -70.52 121.95 18.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.409 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.458 ' HB3' ' CD ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER -118.58 -27.76 5.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.948 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.431 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 5.3 ptpt -104.68 -47.5 4.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.35 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.589 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -67.7 125.08 25.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.942 ' CZ3' HG23 ' A' ' 36' ' ' THR . 5.7 m95 -144.05 134.37 24.49 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.508 ' H ' ' HB3' ' A' ' 44' ' ' ASP . . . -118.96 158.67 14.76 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.5 t -58.38 -36.55 73.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 110.46 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.625 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 1.1 mtm-85 -95.0 6.81 48.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.1 . . . . 0.0 110.316 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.508 ' HB3' ' H ' ' A' ' 41' ' ' GLY . 0.0 OUTLIER -105.79 163.36 12.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.908 HD13 ' HA3' ' A' ' 74' ' ' GLY . 4.0 tp -97.74 155.1 17.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.342 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.555 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 5.6 tt0 -88.26 33.09 0.74 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.557 1.161 . . . . 0.0 110.328 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.809 ' O ' ' CH2' ' A' ' 40' ' ' TRP . 27.6 m -62.92 161.5 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.87 152.96 48.07 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.316 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.714 ' CA ' HG22 ' A' ' 35' ' ' ILE . 18.3 Cg_endo -75.03 131.42 14.23 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.512 1.796 . . . . 0.0 110.98 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 95.29 9.81 57.66 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.446 1.091 . . . . 0.0 111.003 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.705 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -104.52 172.29 6.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 0.791 . . . . 0.0 110.307 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -113.34 129.86 56.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.026 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 1.059 HD23 ' O ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -140.42 157.09 46.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 0.0 109.341 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.997 ' CG ' HG11 ' A' ' 25' ' ' VAL . 0.4 OUTLIER -79.46 134.68 36.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.119 . . . . 0.0 110.273 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 1.153 HG11 ' CE2' ' A' ' 27' ' ' TYR . 2.3 t -103.28 126.65 57.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.997 HG22 ' H ' ' A' ' 57' ' ' GLN . 7.7 mt -93.21 -137.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.997 ' H ' HG22 ' A' ' 56' ' ' ILE . 13.2 tt0 -94.77 154.05 17.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.282 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.611 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 3.3 p -66.66 121.38 15.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.398 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.517 ' OG1' ' CE1' ' A' ' 75' ' ' TYR . 1.3 m -54.42 -75.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.395 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.427 ' CG ' ' N ' ' A' ' 61' ' ' ASP . 3.7 t70 -105.59 -91.25 0.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.163 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.427 ' N ' ' CG ' ' A' ' 60' ' ' ASP . 61.9 m-20 -117.68 -57.43 2.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.626 HG22 ' CB ' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -117.37 69.07 0.76 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 110.373 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.611 ' O ' ' HA ' ' A' ' 58' ' ' THR . 1.9 tppt? -156.38 130.35 8.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 1.001 ' O ' HG12 ' A' ' 76' ' ' VAL . 31.9 m -118.91 132.05 69.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.982 HD12 ' O ' ' A' ' 74' ' ' GLY . 16.1 tp -88.11 127.31 35.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.606 ' HB2' HD11 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -91.16 155.82 18.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 108.309 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.677 ' HG3' ' CD2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -137.9 136.56 37.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.283 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.465 ' ND2' ' O ' ' A' ' 72' ' ' LYS . 0.3 OUTLIER -121.98 142.47 50.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 109.329 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.14 -13.57 0.87 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 110.256 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.413 ' N ' ' C ' ' A' ' 68' ' ' ASN . 2.0 tp10 -64.92 -7.24 10.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 85.0 -0.18 89.06 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.538 1.149 . . . . 0.0 110.988 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.48 ' HE3' HD11 ' A' ' 45' ' ' LEU . 3.4 ttpt -103.46 156.76 17.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 0.766 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.814 ' CE2' HD13 ' A' ' 23' ' ' ILE . 2.3 m-85 -124.99 165.74 17.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 110.968 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.982 ' O ' HD12 ' A' ' 65' ' ' LEU . . . -155.52 159.04 28.92 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.49 1.119 . . . . 0.0 110.979 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.855 ' CE2' ' CE2' ' A' ' 17' ' ' PHE . 3.5 m-85 -104.37 152.92 21.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 0.776 . . . . 0.0 111.03 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 1.001 HG12 ' O ' ' A' ' 64' ' ' VAL . 11.8 p -138.94 125.96 25.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.34 140.32 41.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.626 ' CB ' HG22 ' A' ' 62' ' ' THR . 0.0 OUTLIER -57.8 -20.72 37.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 110.319 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.463 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 12.2 t -50.78 -59.69 3.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.0 110.0 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.729 ' CE1' ' CG2' ' A' ' 36' ' ' THR . 10.6 p90 -117.04 83.57 2.0 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 111.017 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.814 HD12 ' H ' ' A' ' 82' ' ' ALA . 0.1 OUTLIER -166.01 174.72 9.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.814 ' H ' HD12 ' A' ' 81' ' ' LEU . . . -77.52 173.29 12.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.887 ' CE2' ' CD2' ' A' ' 17' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.478 0.18 . . . . 0.0 111.022 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.576 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 1.8 ttm180 -58.48 -36.65 74.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 110.335 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.457 ' HD3' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -51.09 -56.87 10.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.457 ' N ' ' HD3' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -83.29 -33.88 25.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 109.303 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 1.191 ' O ' ' N ' ' A' ' 19' ' ' TYR . 11.2 m-85 -87.68 29.5 0.89 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.985 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -34.85 7.1 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 1.191 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -64.79 122.13 16.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 111.023 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -99.54 98.13 9.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.692 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.64 -170.05 16.05 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.565 1.166 . . . . 0.0 110.956 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -100.44 92.49 5.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 0.781 . . . . 0.0 110.285 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.936 HD13 ' CE2' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -69.3 108.18 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.265 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.427 ' NH1' ' HB2' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -154.4 117.61 4.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.984 HG11 ' OE2' ' A' ' 54' ' ' GLU . 7.5 p -65.91 100.4 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.405 ' HA ' HD23 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -89.87 -49.59 6.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 1.117 ' CE2' HG11 ' A' ' 55' ' ' VAL . 36.6 p90 -128.15 87.12 2.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 111.032 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.739 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 64.3 p -73.01 110.53 7.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 109.976 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 1.067 HG21 HD21 ' A' ' 81' ' ' LEU . 1.3 t -86.08 160.74 19.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.394 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.608 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 0.6 OUTLIER -100.79 136.85 39.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.659 ' CG1' HD12 ' A' ' 35' ' ' ILE . 1.6 t -72.8 129.54 35.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.52 ' O ' ' N ' ' A' ' 50' ' ' GLY . 3.3 t -81.23 178.68 8.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.374 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.489 ' HA ' ' HB2' ' A' ' 49' ' ' PRO . 4.2 t -81.26 -16.19 53.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 110.4 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.9 t -97.46 14.07 27.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 0.0 109.99 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.689 HG22 ' CA ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -70.22 171.72 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 109.315 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.889 HG23 ' CZ3' ' A' ' 40' ' ' TRP . 3.4 t -69.05 117.7 11.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 110.365 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.408 ' HB3' ' HD3' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -118.52 -27.99 5.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.974 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.43 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 5.4 ptpp? -103.4 -47.69 4.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.565 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -67.78 123.8 21.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.137 . . . . 0.0 109.295 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.889 ' CZ3' HG23 ' A' ' 36' ' ' THR . 7.1 m95 -143.74 129.65 19.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 108.022 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.447 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -118.63 158.96 14.57 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.567 1.167 . . . . 0.0 111.02 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.3 t -56.46 -34.47 66.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.544 0.79 . . . . 0.0 110.429 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.634 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 6.9 mtm180 -96.67 6.11 49.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.13 . . . . 0.0 110.298 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.447 ' CB ' ' H ' ' A' ' 41' ' ' GLY . 0.2 OUTLIER -104.65 162.68 13.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.329 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.86 HD23 ' CG1' ' A' ' 47' ' ' VAL . 6.2 tp -98.03 154.54 17.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.609 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 5.6 tt0 -88.98 31.64 0.85 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 110.344 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.86 ' CG1' HD23 ' A' ' 45' ' ' LEU . 21.5 m -64.3 160.97 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.133 . . . . 0.0 109.313 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.54 156.68 45.73 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.689 ' CA ' HG22 ' A' ' 35' ' ' ILE . 18.3 Cg_endo -74.98 125.48 9.36 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.528 1.804 . . . . 0.0 111.023 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 32' ' ' THR . . . 100.52 13.91 33.99 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.646 ' O ' HG23 ' A' ' 31' ' ' VAL . 3.3 tt0 -109.66 172.41 6.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 0.778 . . . . 0.0 110.279 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -109.95 131.67 54.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.976 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 1.064 HD23 ' O ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -139.83 152.94 46.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.268 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.984 ' OE2' HG11 ' A' ' 25' ' ' VAL . 3.8 mt-10 -79.22 132.88 36.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.115 . . . . 0.0 110.329 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 1.117 HG11 ' CE2' ' A' ' 27' ' ' TYR . 2.5 t -104.24 127.13 58.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.342 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.985 HG22 ' H ' ' A' ' 57' ' ' GLN . 5.2 mt -92.78 -137.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.985 ' H ' HG22 ' A' ' 56' ' ' ILE . 29.2 mm100 -94.27 154.97 17.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.282 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.614 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 4.5 p -67.27 121.26 15.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 110.374 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.474 ' HB ' ' HB3' ' A' ' 63' ' ' LYS . 1.2 m -54.01 -75.35 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.093 . . . . 0.0 110.42 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.417 ' CG ' ' N ' ' A' ' 61' ' ' ASP . 4.1 t0 -105.56 -91.61 0.39 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.417 ' N ' ' CG ' ' A' ' 60' ' ' ASP . 0.5 OUTLIER -117.35 -57.39 2.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.474 HG21 ' CD ' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -117.67 68.87 0.76 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 110.415 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.614 ' O ' ' HA ' ' A' ' 58' ' ' THR . 2.5 tppp? -154.83 130.03 9.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.357 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.564 HG12 ' OH ' ' A' ' 27' ' ' TYR . 8.0 m -120.21 127.37 75.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.806 ' CD2' HD12 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -87.61 129.17 35.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.785 ' SG ' HD22 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -90.76 157.6 17.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 108.299 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.733 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -134.57 145.26 48.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 110.32 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -119.02 133.65 55.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 33.8 tp10 -54.37 -18.06 3.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.303 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -76.66 -4.34 42.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.312 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 88.61 11.61 65.8 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.511 1.132 . . . . 0.0 110.967 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.3 ttpt -102.25 123.45 46.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 0.757 . . . . 0.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.936 ' CE2' HD13 ' A' ' 23' ' ' ILE . 4.8 m-85 -105.86 160.07 15.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.468 ' HA3' HD13 ' A' ' 45' ' ' LEU . . . -157.0 159.33 29.55 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.889 ' CZ ' ' CE2' ' A' ' 17' ' ' PHE . 2.8 m-85 -102.53 153.19 20.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 0.743 . . . . 0.0 111.064 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.454 ' O ' ' CD ' ' A' ' 63' ' ' LYS . 2.2 t -142.42 124.97 13.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.461 HD23 ' H ' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -74.21 143.14 45.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 109.328 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.474 ' CD ' HG21 ' A' ' 62' ' ' THR . 0.0 OUTLIER -56.58 -21.07 24.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.142 . . . . 0.0 110.316 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.411 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 11.6 t -49.7 -59.42 3.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.034 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.723 ' CE1' ' CG2' ' A' ' 36' ' ' THR . 18.8 p90 -116.31 80.36 1.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 111.013 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 1.147 HD22 ' N ' ' A' ' 82' ' ' ALA . 0.3 OUTLIER -166.68 142.37 4.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 109.296 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 1.147 ' N ' HD22 ' A' ' 81' ' ' LEU . . . -53.46 168.07 0.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.974 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.918 ' CE2' ' CD2' ' A' ' 17' ' ' PHE . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.498 0.189 . . . . 0.0 110.981 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.527 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 1.7 ttp-105 -59.62 -28.34 67.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.61 -59.16 5.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.474 ' CG ' ' HD3' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -85.05 -29.81 24.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 1.195 ' O ' ' N ' ' A' ' 19' ' ' TYR . 9.5 m-85 -88.02 29.54 0.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 111.033 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -34.96 6.91 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 1.195 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -65.36 122.73 17.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.971 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -101.58 98.02 8.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.683 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.47 -170.32 16.22 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -100.55 92.67 5.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 0.769 . . . . 0.0 110.255 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.883 HG12 HD13 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -70.74 108.54 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -154.56 121.24 5.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 110.325 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 1.097 HG21 ' CG ' ' A' ' 54' ' ' GLU . 3.6 p -66.61 99.55 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.29 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.08 -48.0 7.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 1.021 ' CE2' HG11 ' A' ' 55' ' ' VAL . 37.5 p90 -126.45 88.51 2.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.67 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 13.5 t -73.65 109.67 7.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 109.982 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.775 HG21 HD21 ' A' ' 81' ' ' LEU . 0.7 OUTLIER -93.68 161.37 14.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.405 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.792 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 0.1 OUTLIER -101.93 139.24 37.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 51' ' ' GLU . 1.5 t -71.91 139.51 19.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.842 HG22 ' H ' ' A' ' 34' ' ' SER . 1.2 m -84.43 133.1 34.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.391 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.551 ' O ' ' HB2' ' A' ' 49' ' ' PRO . 5.9 t -47.53 -11.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.373 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.842 ' H ' HG22 ' A' ' 32' ' ' THR . 0.1 OUTLIER -104.15 15.5 28.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 110.043 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.743 HG22 ' CA ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -70.02 173.88 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.901 HG23 ' CZ3' ' A' ' 40' ' ' TRP . 5.4 t -68.61 119.63 13.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.401 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.468 ' OG ' ' HG3' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -116.31 -26.89 7.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.013 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.451 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -103.26 -49.07 3.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.326 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.478 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -66.69 124.89 24.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.901 ' CZ3' HG23 ' A' ' 36' ' ' THR . 8.1 m95 -144.25 140.03 29.0 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.455 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -119.65 160.81 14.37 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.477 1.111 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.3 m -58.17 -37.11 74.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 0.762 . . . . 0.0 110.382 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.63 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 1.2 mtm180 -98.12 9.72 42.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.245 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.455 ' CB ' ' H ' ' A' ' 41' ' ' GLY . 0.4 OUTLIER -101.97 162.62 12.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 109.332 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.882 HD23 ' CG1' ' A' ' 47' ' ' VAL . 6.7 tp -98.13 154.7 17.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.57 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 5.6 tt0 -88.92 32.74 0.8 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.281 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.882 ' CG1' HD23 ' A' ' 45' ' ' LEU . 22.1 m -64.04 153.06 7.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.54 156.43 35.9 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.276 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.743 ' CA ' HG22 ' A' ' 35' ' ' ILE . 18.2 Cg_endo -74.97 127.89 11.07 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.489 1.784 . . . . 0.0 110.972 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 97.55 12.19 48.63 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.681 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -99.66 171.74 7.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 0.757 . . . . 0.0 110.285 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.3 p -131.73 126.32 34.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 110.031 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.932 HD21 ' HB3' ' A' ' 66' ' ' CYS . 0.0 OUTLIER -140.95 170.12 16.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 1.097 ' CG ' HG21 ' A' ' 25' ' ' VAL . 0.4 OUTLIER -77.01 132.2 38.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 110.285 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 1.021 HG11 ' CE2' ' A' ' 27' ' ' TYR . 2.1 t -103.53 132.76 49.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.965 HG22 ' H ' ' A' ' 57' ' ' GLN . 5.0 mt -91.62 -140.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.965 ' H ' HG22 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -96.77 157.57 15.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.276 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.656 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 8.1 p -67.91 127.98 34.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.087 . . . . 0.0 110.401 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.714 HG21 ' HD3' ' A' ' 63' ' ' LYS . 2.4 m -58.55 -75.63 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.388 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.407 ' CG ' ' N ' ' A' ' 61' ' ' ASP . 5.5 t0 -105.65 -92.15 0.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.407 ' N ' ' CG ' ' A' ' 60' ' ' ASP . 45.8 m-20 -117.91 -56.56 2.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.797 HG22 ' CB ' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -115.02 67.09 0.69 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.421 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.714 ' HD3' HG21 ' A' ' 59' ' ' THR . 18.4 tttp -158.69 131.15 6.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.424 1.077 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 1.034 ' O ' HG12 ' A' ' 76' ' ' VAL . 6.0 m -123.21 130.65 74.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.82 HD12 ' O ' ' A' ' 74' ' ' GLY . 12.3 tp -88.13 119.25 28.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.932 ' HB3' HD21 ' A' ' 53' ' ' LEU . 63.0 m -97.26 157.99 15.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.421 1.076 . . . . 0.0 108.272 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.661 ' HG3' ' CD2' ' A' ' 73' ' ' TYR . 3.5 ttp180 -134.4 144.86 48.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.262 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.624 ' OD1' HD21 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -119.08 140.56 49.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -54.92 -14.4 1.45 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.439 1.087 . . . . 0.0 110.274 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -59.12 -9.65 2.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.543 1.152 . . . . 0.0 110.303 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.13 15.02 65.57 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.494 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 5.0 tttt -122.86 156.03 35.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 0.79 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.805 ' CE2' HD13 ' A' ' 23' ' ' ILE . 26.6 m-85 -114.88 160.57 19.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 110.98 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.82 ' O ' HD12 ' A' ' 65' ' ' LEU . . . -156.26 158.86 28.98 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.509 1.131 . . . . 0.0 111.023 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.887 ' CD2' ' CZ ' ' A' ' 17' ' ' PHE . 2.4 m-85 -104.96 151.81 23.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 0.76 . . . . 0.0 110.983 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 1.034 HG12 ' O ' ' A' ' 64' ' ' VAL . 10.6 p -134.9 125.38 45.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 109.269 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.449 HD23 ' H ' ' A' ' 78' ' ' ARG . 0.1 OUTLIER -74.69 143.55 44.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.267 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.797 ' CB ' HG22 ' A' ' 62' ' ' THR . 0.0 OUTLIER -56.98 -23.48 46.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.277 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.6 t -50.04 -59.13 4.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.979 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.795 ' CE1' HG21 ' A' ' 36' ' ' THR . 8.5 p90 -117.37 80.29 1.47 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 1.166 HD22 ' N ' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -164.34 140.78 6.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.322 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 1.166 ' N ' HD22 ' A' ' 81' ' ' LEU . . . -55.08 171.77 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 0.0 109.328 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.18 -18.33 63.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -68.83 -27.77 66.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.309 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -62.49 -33.67 75.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.346 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.5 mptt -69.65 -31.59 69.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -68.92 -45.25 71.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.336 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.882 ' CE2' ' CD2' ' A' ' 17' ' ' PHE . 0.8 OUTLIER -69.04 -52.62 26.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.471 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 18.9 ttm180 -59.99 -28.16 67.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.288 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.48 ' CE ' ' HB2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -54.58 -59.49 4.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.489 ' HG2' ' CD ' ' A' ' 43' ' ' ARG . 29.8 tptt -85.13 -31.16 23.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 1.197 ' O ' ' N ' ' A' ' 19' ' ' TYR . 7.8 m-85 -87.58 29.69 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 110.979 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -35.53 7.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 1.197 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -64.07 122.43 16.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.979 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -101.51 98.11 8.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.687 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.43 -169.83 15.71 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -102.2 91.83 4.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 0.727 . . . . 0.0 110.291 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.886 HD13 ' CE2' ' A' ' 73' ' ' TYR . 0.3 OUTLIER -68.46 108.75 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.262 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -154.19 116.02 4.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.304 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 1.115 HG21 ' CG ' ' A' ' 54' ' ' GLU . 3.7 p -66.31 99.46 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.41 -47.52 7.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 1.102 ' CE2' HG11 ' A' ' 55' ' ' VAL . 31.9 p90 -125.81 88.59 2.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.983 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.682 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 96.8 p -71.83 111.2 6.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.983 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.841 HG21 HD11 ' A' ' 81' ' ' LEU . 1.6 t -90.36 161.14 15.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.381 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.841 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 6.6 mtpt -100.27 138.12 37.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 51' ' ' GLU . 2.1 t -71.26 118.01 15.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.853 HG22 ' H ' ' A' ' 34' ' ' SER . 1.3 m -74.68 134.35 41.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 110.352 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.551 ' O ' ' HB2' ' A' ' 49' ' ' PRO . 8.8 t -43.51 -19.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.414 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.853 ' H ' HG22 ' A' ' 32' ' ' THR . 1.5 p -89.93 14.01 13.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.022 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.677 HG12 ' O ' ' A' ' 80' ' ' TYR . 0.0 OUTLIER -71.24 173.37 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.876 HG23 ' CZ3' ' A' ' 40' ' ' TRP . 1.9 t -70.74 119.8 15.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 110.385 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.75 -27.48 5.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 109.993 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.434 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 4.7 ptpp? -104.37 -47.67 4.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.598 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -67.41 124.54 23.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.876 ' CZ3' HG23 ' A' ' 36' ' ' THR . 6.1 m95 -144.4 128.24 17.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 107.999 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.461 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -118.17 159.75 14.13 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.538 1.149 . . . . 0.0 110.954 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.8 t -56.79 -36.03 69.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 0.768 . . . . 0.0 110.408 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.697 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 5.6 mtm105 -96.66 7.2 47.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 110.293 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.461 ' CB ' ' H ' ' A' ' 41' ' ' GLY . 0.3 OUTLIER -103.97 163.05 12.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 0.0 109.247 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 1.033 HD23 ' CG1' ' A' ' 47' ' ' VAL . 7.7 tp -97.53 149.7 21.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.593 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 5.2 tt0 -88.07 31.28 0.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.278 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 1.033 ' CG1' HD23 ' A' ' 45' ' ' LEU . 16.4 m -64.62 161.07 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.112 . . . . 0.0 109.278 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.411 ' HE2' ' N ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -112.46 156.22 42.57 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.67 ' CA ' HG22 ' A' ' 35' ' ' ILE . 18.3 Cg_endo -75.04 130.34 13.14 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.535 1.808 . . . . 0.0 110.998 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.54 10.54 47.14 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.459 1.1 . . . . 0.0 111.026 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.636 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.7 OUTLIER -102.8 171.79 7.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 0.753 . . . . 0.0 110.296 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 26.9 t -126.76 129.93 49.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.995 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.79 HD23 ' HB3' ' A' ' 66' ' ' CYS . 32.9 tp -140.26 165.25 27.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 1.115 ' CG ' HG21 ' A' ' 25' ' ' VAL . 0.6 OUTLIER -78.13 133.69 37.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.326 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 1.102 HG11 ' CE2' ' A' ' 27' ' ' TYR . 2.1 t -102.65 128.21 55.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.971 HG22 ' H ' ' A' ' 57' ' ' GLN . 3.5 mt -91.46 -138.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.971 ' H ' HG22 ' A' ' 56' ' ' ILE . 27.0 mm100 -94.49 156.56 16.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.326 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.689 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 7.1 p -67.36 122.44 17.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 110.433 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.535 ' HB ' ' HB3' ' A' ' 63' ' ' LYS . 1.1 m -54.24 -74.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.416 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.415 ' N ' HG22 ' A' ' 59' ' ' THR . 1.6 m-20 -104.64 -91.58 0.38 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -117.59 -57.35 2.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.319 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.481 ' O ' ' HB3' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -117.84 69.98 0.79 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.413 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.689 ' O ' ' HA ' ' A' ' 58' ' ' THR . 4.9 tttt -156.94 130.77 8.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.683 HG22 HD22 ' A' ' 81' ' ' LEU . 4.1 m -120.8 127.37 75.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.924 HD12 ' O ' ' A' ' 74' ' ' GLY . 0.7 OUTLIER -89.0 121.81 31.73 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.447 1.092 . . . . 0.0 109.318 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.79 ' HB3' HD23 ' A' ' 53' ' ' LEU . 21.8 m -91.43 155.47 18.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 108.356 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.772 ' O ' HD11 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -135.25 140.18 45.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 110.276 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.479 ' ND2' ' O ' ' A' ' 72' ' ' LYS . 0.4 OUTLIER -120.74 140.99 50.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.24 -12.35 0.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.276 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.418 ' N ' ' C ' ' A' ' 68' ' ' ASN . 2.0 tp10 -59.29 -11.31 3.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.42 13.92 67.06 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.547 1.154 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.479 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 0.0 OUTLIER -124.77 147.76 48.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 0.761 . . . . 0.0 109.282 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.886 ' CE2' HD13 ' A' ' 23' ' ' ILE . 10.0 m-85 -111.08 167.15 10.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.568 1.168 . . . . 0.0 110.995 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.924 ' O ' HD12 ' A' ' 65' ' ' LEU . . . -157.72 158.41 29.03 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.516 1.135 . . . . 0.0 110.972 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.893 ' CZ ' ' CE2' ' A' ' 17' ' ' PHE . 1.9 m-85 -105.42 153.93 21.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 0.778 . . . . 0.0 110.978 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.749 HG21 ' SG ' ' A' ' 66' ' ' CYS . 2.4 t -142.65 126.31 14.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.539 HD22 ' CD ' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -80.48 143.81 33.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.539 ' CD ' HD22 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -57.6 -22.14 43.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.56 -58.75 4.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.021 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.753 ' CE1' ' CG2' ' A' ' 36' ' ' THR . 20.1 p90 -117.88 83.79 2.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 0.0 111.003 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.871 HD12 ' H ' ' A' ' 82' ' ' ALA . 0.1 OUTLIER -165.91 173.6 10.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.871 ' H ' HD12 ' A' ' 81' ' ' LEU . . . -80.46 174.62 11.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.7 tmtm? -63.84 -13.75 47.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.453 ' HG2' ' CG ' ' A' ' 72' ' ' LYS . 0.1 OUTLIER -66.24 -32.35 73.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.289 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -61.99 -39.3 91.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.306 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.77 -31.17 67.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.425 ' O ' ' HB3' ' A' ' 15' ' ' LYS . 0.1 OUTLIER -73.2 -32.6 64.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.262 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.986 ' CE1' ' CD2' ' A' ' 17' ' ' PHE . 13.9 t80 -64.36 -51.71 61.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.987 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.9 ptt85 -59.82 -30.31 68.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 110.323 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.425 ' HB3' ' O ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -54.53 -58.6 6.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.254 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.49 ' CG ' ' HD3' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -84.25 -34.12 23.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 1.177 ' O ' ' N ' ' A' ' 19' ' ' TYR . 10.7 m-85 -87.96 27.63 1.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -36.01 8.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.346 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 1.177 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -63.75 122.12 15.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.115 . . . . 0.0 111.003 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -100.74 98.33 8.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.692 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.15 -169.68 15.4 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -100.87 91.95 4.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 0.745 . . . . 0.0 110.311 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.936 HD13 ' CE2' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -68.58 108.43 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -154.85 119.3 4.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.28 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 1.069 HG21 ' CG ' ' A' ' 54' ' ' GLU . 7.4 p -66.81 100.33 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -90.41 -49.19 6.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.234 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 1.098 ' CE2' HG11 ' A' ' 55' ' ' VAL . 30.6 p90 -126.67 88.28 2.8 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.513 1.133 . . . . 0.0 111.048 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.699 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 78.8 p -72.09 111.4 7.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.991 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.807 HG21 HD11 ' A' ' 81' ' ' LEU . 1.7 t -91.59 161.31 14.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.412 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.839 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -100.06 138.66 36.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 51' ' ' GLU . 2.0 t -71.51 123.88 26.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.86 HG22 ' H ' ' A' ' 34' ' ' SER . 1.3 m -78.19 134.46 37.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.358 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.563 ' O ' ' HB2' ' A' ' 49' ' ' PRO . 14.5 t -44.57 -17.85 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.104 . . . . 0.0 110.427 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.86 ' H ' HG22 ' A' ' 32' ' ' THR . 0.1 OUTLIER -93.4 14.0 19.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.999 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.683 HG22 ' CA ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -70.66 173.57 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.87 HG23 ' CZ3' ' A' ' 40' ' ' TRP . 2.0 t -70.16 119.14 13.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 110.394 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.442 ' HB3' ' CD ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -118.29 -26.93 6.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.999 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.43 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 4.5 ptpt -104.6 -47.45 4.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.607 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -67.62 124.54 23.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.335 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.87 ' CZ3' HG23 ' A' ' 36' ' ' THR . 5.8 m95 -144.6 125.23 14.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 108.02 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.476 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -116.16 160.1 13.54 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.501 1.126 . . . . 0.0 111.046 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.7 t -56.5 -36.25 68.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 0.743 . . . . 0.0 110.406 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.675 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 5.1 mtm180 -95.72 6.9 47.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.341 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.489 ' OD1' ' O ' ' A' ' 75' ' ' TYR . 0.4 OUTLIER -104.58 161.8 13.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 1.014 HD23 ' CG1' ' A' ' 47' ' ' VAL . 7.1 tp -97.24 151.43 19.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.575 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 5.5 tt0 -88.05 30.78 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.323 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 1.014 ' CG1' HD23 ' A' ' 45' ' ' LEU . 17.9 m -64.57 160.35 3.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.427 1.079 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.63 154.97 44.55 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.683 ' CA ' HG22 ' A' ' 35' ' ' ILE . 18.4 Cg_endo -75.0 130.49 13.32 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.523 1.801 . . . . 0.0 111.01 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.22 10.48 48.33 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.469 1.106 . . . . 0.0 110.998 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.67 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.4 OUTLIER -104.33 172.27 6.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.571 0.806 . . . . 0.0 110.334 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.05 129.41 50.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.984 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.796 HD11 ' O ' ' A' ' 67' ' ' ARG . 29.1 tp -139.73 164.13 30.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 1.069 ' CG ' HG21 ' A' ' 25' ' ' VAL . 0.6 OUTLIER -77.72 132.75 38.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.303 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 1.098 HG11 ' CE2' ' A' ' 27' ' ' TYR . 2.1 t -102.23 129.54 53.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.959 HG22 ' H ' ' A' ' 57' ' ' GLN . 3.6 mt -91.97 -137.91 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.959 ' H ' HG22 ' A' ' 56' ' ' ILE . 13.2 tt0 -95.02 156.69 16.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 110.276 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.702 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 7.6 p -67.55 122.8 18.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.39 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.519 ' HB ' ' HB3' ' A' ' 63' ' ' LYS . 1.1 m -54.67 -74.1 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.12 . . . . 0.0 110.388 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.445 ' N ' HG22 ' A' ' 59' ' ' THR . 6.7 t0 -104.58 -92.01 0.37 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.426 ' N ' ' CG ' ' A' ' 60' ' ' ASP . 33.5 m-20 -117.97 -56.68 2.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.558 HG21 ' HD3' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -117.56 69.44 0.77 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.409 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.702 ' O ' ' HA ' ' A' ' 58' ' ' THR . 4.1 tttt -157.29 131.12 8.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.667 HG22 HD22 ' A' ' 81' ' ' LEU . 2.9 m -122.15 127.39 75.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 109.349 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.826 HD21 HD12 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -89.19 123.58 33.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.767 ' SG ' HG21 ' A' ' 76' ' ' VAL . 35.0 m -89.34 158.27 17.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 108.321 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.796 ' O ' HD11 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -133.66 145.47 49.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.498 ' OD1' HD21 ' A' ' 45' ' ' LEU . 4.9 m120 -111.34 136.37 50.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.81 -18.74 5.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 110.292 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -77.16 -4.25 43.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 87.98 21.44 46.2 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.49 1.119 . . . . 0.0 110.982 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.453 ' CG ' ' HG2' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -106.28 123.87 48.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 0.732 . . . . 0.0 109.312 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.936 ' CE2' HD13 ' A' ' 23' ' ' ILE . 15.4 m-85 -106.64 154.63 20.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 111.006 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.836 ' HA3' HD13 ' A' ' 45' ' ' LEU . . . -157.1 160.5 30.48 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.511 1.132 . . . . 0.0 111.028 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.889 ' CZ ' ' CE2' ' A' ' 17' ' ' PHE . 3.1 m-85 -102.75 154.37 19.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 0.76 . . . . 0.0 111.006 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.767 HG21 ' SG ' ' A' ' 66' ' ' CYS . 2.6 t -142.74 125.54 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.456 ' CA ' ' HZ2' ' A' ' 63' ' ' LYS . 0.2 OUTLIER -78.33 143.31 37.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.558 ' HD3' HG21 ' A' ' 62' ' ' THR . 0.0 OUTLIER -57.7 -21.53 41.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.335 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.46 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 14.4 t -49.99 -59.26 4.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 0.0 109.976 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.738 ' CE1' ' CG2' ' A' ' 36' ' ' THR . 19.8 p90 -117.76 83.62 2.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 111.011 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.892 HD12 ' H ' ' A' ' 82' ' ' ALA . 0.2 OUTLIER -165.41 172.89 11.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.892 ' H ' HD12 ' A' ' 81' ' ' LEU . . . -79.87 174.4 11.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.095 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.96 -12.76 57.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.332 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.421 ' OE1' ' O ' ' A' ' 70' ' ' GLU . 16.6 pt-20 -61.87 -42.99 99.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.556 1.16 . . . . 0.0 110.297 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -70.88 -37.55 73.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 110.289 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.8 mmtp -70.66 -36.86 73.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.253 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -60.34 -44.3 95.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.82 ' CE2' ' CD2' ' A' ' 17' ' ' PHE . 0.4 OUTLIER -68.47 -50.95 48.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.98 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.461 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -59.9 -29.34 68.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.401 ' CD ' ' N ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -54.3 -59.34 4.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.443 ' CG ' ' HD3' ' A' ' 43' ' ' ARG . 4.2 tptp -83.97 -32.84 24.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 1.202 ' O ' ' N ' ' A' ' 19' ' ' TYR . 9.9 m-85 -87.95 29.62 0.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.968 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -35.04 7.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.259 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 1.202 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -64.34 122.21 16.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 111.002 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -100.71 98.06 8.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.685 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.55 -169.55 15.51 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.507 1.129 . . . . 0.0 110.976 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -102.66 92.74 4.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 0.774 . . . . 0.0 110.264 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.861 HG12 HD13 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -65.61 107.93 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -155.11 116.59 4.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.336 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 1.11 HG21 ' CG ' ' A' ' 54' ' ' GLU . 6.4 p -65.82 99.59 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -90.95 -48.15 7.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 1.087 ' CE2' HG11 ' A' ' 55' ' ' VAL . 37.4 p90 -126.51 87.76 2.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.99 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.711 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 74.0 p -72.23 110.51 6.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.999 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.909 ' OG1' ' HB3' ' A' ' 82' ' ' ALA . 2.0 t -85.48 159.73 19.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 110.385 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.787 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 0.5 OUTLIER -102.26 135.6 43.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 109.329 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.681 ' CG1' HD12 ' A' ' 35' ' ' ILE . 1.8 t -75.73 123.04 30.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.815 HG23 ' H ' ' A' ' 34' ' ' SER . 13.6 t -76.68 178.34 6.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.396 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.463 ' HA ' ' HB2' ' A' ' 49' ' ' PRO . 3.8 t -80.94 -14.92 57.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.401 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.815 ' H ' HG23 ' A' ' 32' ' ' THR . 11.0 t -98.08 14.41 27.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.041 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.69 HG22 ' CA ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -69.66 171.96 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.884 HG23 ' CZ3' ' A' ' 40' ' ' TRP . 3.6 t -69.15 116.88 10.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.378 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.63 -27.53 5.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.951 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.44 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -103.4 -48.11 4.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.09 . . . . 0.0 109.326 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.569 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -67.78 124.22 22.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.884 ' CZ3' HG23 ' A' ' 36' ' ' THR . 7.0 m95 -143.75 129.38 19.19 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.473 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -118.58 159.31 14.42 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.546 1.154 . . . . 0.0 111.018 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.5 t -56.14 -35.63 67.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 0.743 . . . . 0.0 110.381 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.677 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 0.0 OUTLIER -96.2 6.76 48.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.473 ' CB ' ' H ' ' A' ' 41' ' ' GLY . 0.4 OUTLIER -104.43 163.13 12.66 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.487 1.117 . . . . 0.0 109.244 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.867 HD13 ' HA3' ' A' ' 74' ' ' GLY . 3.7 tp -98.52 153.82 18.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 0.0 109.342 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.585 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 6.9 tt0 -89.2 31.48 0.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.283 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.772 ' O ' ' CH2' ' A' ' 40' ' ' TRP . 30.3 m -64.5 161.44 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.28 157.51 43.63 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.69 ' CA ' HG22 ' A' ' 35' ' ' ILE . 18.2 Cg_endo -75.02 129.09 12.0 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.537 1.809 . . . . 0.0 110.987 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 32' ' ' THR . . . 100.85 10.94 41.78 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.52 1.138 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.561 ' O ' HG23 ' A' ' 31' ' ' VAL . 4.0 tt0 -105.9 171.31 7.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.431 0.724 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.5 p -126.07 130.07 50.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.032 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.78 HD23 ' HB3' ' A' ' 66' ' ' CYS . 58.4 tp -139.4 163.72 31.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 109.28 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 1.11 ' CG ' HG21 ' A' ' 25' ' ' VAL . 0.6 OUTLIER -78.3 134.08 37.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 110.286 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 1.087 HG11 ' CE2' ' A' ' 27' ' ' TYR . 2.2 t -103.94 130.46 54.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.986 HG22 ' H ' ' A' ' 57' ' ' GLN . 6.0 mt -91.64 -138.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.986 ' H ' HG22 ' A' ' 56' ' ' ILE . 27.7 mm100 -94.91 156.87 16.16 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.558 1.161 . . . . 0.0 110.269 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.681 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 4.4 p -67.7 123.33 20.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.367 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.486 ' OG1' ' CE1' ' A' ' 75' ' ' TYR . 1.3 m -55.11 -75.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.354 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.434 ' CG ' ' N ' ' A' ' 61' ' ' ASP . 5.9 t0 -104.78 -91.63 0.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.252 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.434 ' N ' ' CG ' ' A' ' 60' ' ' ASP . 0.2 OUTLIER -117.43 -57.08 2.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.461 HG22 ' CB ' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -117.47 68.74 0.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 110.406 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.681 ' O ' ' HA ' ' A' ' 58' ' ' THR . 2.5 tppt? -156.06 129.08 8.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.928 HG22 HD13 ' A' ' 81' ' ' LEU . 3.3 m -121.33 126.62 75.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.898 HD21 HD12 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -87.71 122.14 31.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.258 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.78 ' HB3' HD23 ' A' ' 53' ' ' LEU . 4.0 m -92.5 155.12 18.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 108.268 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.749 ' O ' HD11 ' A' ' 53' ' ' LEU . 0.8 OUTLIER -137.21 142.76 42.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.275 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.507 ' N ' ' OD1' ' A' ' 68' ' ' ASN . 0.4 OUTLIER -120.7 149.15 42.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.359 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.51 -17.01 2.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 110.295 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.421 ' O ' ' OE1' ' A' ' 9' ' ' GLU . 8.1 tp10 -59.16 -9.3 1.98 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 79.07 20.01 71.13 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.5 1.125 . . . . 0.0 111.025 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.404 ' O ' ' OD1' ' A' ' 68' ' ' ASN . 0.1 OUTLIER -118.72 147.91 43.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 0.753 . . . . 0.0 109.299 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.75 ' HB2' ' CD2' ' A' ' 13' ' ' PHE . 15.7 m-85 -117.11 157.65 25.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.103 . . . . 0.0 110.997 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.867 ' HA3' HD13 ' A' ' 45' ' ' LEU . . . -157.85 159.8 30.21 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.924 ' CZ ' ' CE2' ' A' ' 17' ' ' PHE . 8.1 m-85 -103.33 153.75 20.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 0.76 . . . . 0.0 111.017 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.64 HG21 ' SG ' ' A' ' 66' ' ' CYS . 4.0 t -143.39 126.58 13.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.422 HD23 ' H ' ' A' ' 78' ' ' ARG . 0.1 OUTLIER -71.74 142.26 49.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.536 ' CZ ' ' O ' ' A' ' 78' ' ' ARG . 0.0 OUTLIER -58.78 -20.36 49.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 110.312 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.471 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 13.1 t -47.43 -57.82 4.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.966 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.736 ' CE1' ' CG2' ' A' ' 36' ' ' THR . 13.7 p90 -115.9 85.07 2.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.988 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.928 HD13 HG22 ' A' ' 64' ' ' VAL . 0.3 OUTLIER -162.68 178.29 8.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.909 ' HB3' ' OG1' ' A' ' 29' ' ' THR . . . -88.27 176.95 7.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 -179.954 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.326 -0.25 . . . . 0.0 110.326 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.458 ' HD3' ' N ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -83.63 -12.27 56.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.339 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.458 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 8.8 tp10 -61.13 -24.81 66.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.28 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -60.36 -41.61 94.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.427 ' O ' ' HG2' ' A' ' 14' ' ' ARG . 17.3 mmtt -71.15 -32.57 69.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.484 ' O ' ' HB3' ' A' ' 15' ' ' LYS . 38.8 t70 -77.06 -31.0 55.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.984 ' CE1' ' CD2' ' A' ' 17' ' ' PHE . 26.2 t80 -60.72 -53.0 62.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 111.008 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.427 ' HG2' ' O ' ' A' ' 11' ' ' LYS . 6.8 ptm180 -60.02 -30.49 69.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.272 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.499 ' CE ' ' HB2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -54.29 -58.1 8.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.503 ' HG2' ' CD ' ' A' ' 43' ' ' ARG . 0.2 OUTLIER -84.67 -34.92 22.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 1.196 ' O ' ' N ' ' A' ' 19' ' ' TYR . 6.3 m-85 -88.38 27.57 1.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.082 . . . . 0.0 110.972 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 14' ' ' ARG . 0.3 OUTLIER -35.59 7.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.318 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 1.196 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -64.05 122.46 16.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.959 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.85 98.31 9.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.74 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -149.44 -169.92 16.41 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -102.59 92.64 4.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 0.756 . . . . 0.0 110.328 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.768 HD13 ' CE2' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -65.63 108.6 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.16 . . . . 0.0 109.266 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.74 144.28 22.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 110.336 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.984 HG11 ' HG2' ' A' ' 54' ' ' GLU . 75.2 t -95.57 100.15 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -92.46 -47.43 7.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.269 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 1.102 ' CE2' HG11 ' A' ' 55' ' ' VAL . 29.6 p90 -125.88 89.93 3.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.113 . . . . 0.0 111.011 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.729 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 79.5 p -72.03 111.7 7.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.017 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.728 HG21 HD11 ' A' ' 81' ' ' LEU . 1.0 OUTLIER -93.14 160.27 14.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.359 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.84 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 0.6 OUTLIER -101.45 138.94 37.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.429 1.081 . . . . 0.0 109.291 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.635 HG12 ' CB ' ' A' ' 35' ' ' ILE . 1.8 t -70.4 121.12 19.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.871 HG22 ' H ' ' A' ' 34' ' ' SER . 1.3 m -75.65 134.41 40.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.093 . . . . 0.0 110.425 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.577 ' O ' ' HB2' ' A' ' 49' ' ' PRO . 11.1 t -44.8 -16.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 110.428 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.871 ' H ' HG22 ' A' ' 32' ' ' THR . 0.2 OUTLIER -93.56 13.66 21.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.008 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.699 HG12 ' O ' ' A' ' 80' ' ' TYR . 0.0 OUTLIER -71.1 173.29 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.913 HG23 ' CZ3' ' A' ' 40' ' ' TRP . 2.4 t -70.52 121.31 17.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.389 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.432 ' HB2' ' CD ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -118.93 -27.52 5.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.988 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.43 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 0.2 OUTLIER -104.53 -47.37 4.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.29 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.612 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -67.2 123.93 21.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.913 ' CZ3' HG23 ' A' ' 36' ' ' THR . 5.8 m95 -144.06 128.14 17.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 107.97 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.44 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -118.62 159.52 14.34 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.7 t -56.7 -36.32 69.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 0.787 . . . . 0.0 110.38 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.668 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 2.1 mtm180 -96.45 7.14 47.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.273 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.44 ' CB ' ' H ' ' A' ' 41' ' ' GLY . 0.3 OUTLIER -104.9 163.12 12.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 1.049 HD23 ' CG1' ' A' ' 47' ' ' VAL . 8.6 tp -97.75 148.13 23.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.547 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 2.5 tt0 -87.48 31.1 0.76 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 1.049 ' CG1' HD23 ' A' ' 45' ' ' LEU . 23.3 m -64.18 161.6 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.33 154.24 43.76 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.137 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.698 ' CA ' HG22 ' A' ' 35' ' ' ILE . 18.2 Cg_endo -75.05 131.02 13.77 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.514 1.797 . . . . 0.0 110.966 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 98.66 9.02 53.79 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.515 1.135 . . . . 0.0 110.993 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.598 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.9 OUTLIER -100.7 171.59 7.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 0.768 . . . . 0.0 110.267 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.0 t -125.91 128.04 46.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.0 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.792 HD11 ' O ' ' A' ' 67' ' ' ARG . 51.7 tp -140.18 164.96 28.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.33 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.984 ' HG2' HG11 ' A' ' 25' ' ' VAL . 3.4 mt-10 -77.93 136.07 37.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 0.0 110.339 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 1.102 HG11 ' CE2' ' A' ' 27' ' ' TYR . 2.1 t -103.81 130.26 54.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.992 HG22 ' H ' ' A' ' 57' ' ' GLN . 7.9 mt -92.45 -138.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.992 ' H ' HG22 ' A' ' 56' ' ' ILE . 0.4 OUTLIER -95.47 156.56 16.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 110.278 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.659 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 3.4 p -67.55 123.26 19.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.438 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.463 ' HB ' ' CG ' ' A' ' 63' ' ' LYS . 1.1 m -54.81 -75.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.423 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.447 ' N ' HG22 ' A' ' 59' ' ' THR . 4.6 t0 -105.24 -91.33 0.39 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.414 ' N ' ' CG ' ' A' ' 60' ' ' ASP . 49.1 m-20 -117.37 -57.19 2.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.483 HG22 ' CB ' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -117.67 69.16 0.77 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.406 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.659 ' O ' ' HA ' ' A' ' 58' ' ' THR . 2.8 tppt? -156.32 129.48 8.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.666 HG22 HD22 ' A' ' 81' ' ' LEU . 3.2 m -120.96 126.19 74.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.839 ' CD2' HD12 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -89.53 121.69 31.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.77 ' HB3' HD23 ' A' ' 53' ' ' LEU . 31.0 m -92.08 157.03 16.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 108.324 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.792 ' O ' HD11 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -135.79 142.24 44.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.105 . . . . 0.0 110.32 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.482 ' ND2' ' O ' ' A' ' 72' ' ' LYS . 0.3 OUTLIER -120.95 143.69 48.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.78 -14.28 1.35 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 110.32 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.405 ' N ' ' C ' ' A' ' 68' ' ' ASN . 3.2 tp10 -59.6 -11.51 4.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 85.37 17.75 61.83 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.451 1.095 . . . . 0.0 111.028 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.52 ' HD3' HD11 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -124.54 150.34 45.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 0.754 . . . . 0.0 109.311 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.768 ' CE2' HD13 ' A' ' 23' ' ' ILE . 5.4 m-85 -115.97 164.88 13.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.901 ' HA3' HD13 ' A' ' 45' ' ' LEU . . . -157.16 159.24 29.53 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.551 1.157 . . . . 0.0 111.017 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.879 ' CE2' ' CE2' ' A' ' 17' ' ' PHE . 5.3 m-85 -104.95 151.7 23.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 0.762 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.744 HG21 ' SG ' ' A' ' 66' ' ' CYS . 2.1 t -138.15 124.76 26.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.442 HD23 ' HA ' ' A' ' 77' ' ' LEU . 0.1 OUTLIER -76.83 142.07 40.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.317 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.483 ' CB ' HG22 ' A' ' 62' ' ' THR . 0.0 OUTLIER -57.35 -22.86 45.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.338 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.429 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 9.3 t -50.63 -59.06 4.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.004 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.753 ' CE1' ' CG2' ' A' ' 36' ' ' THR . 19.5 p90 -117.42 84.33 2.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 111.002 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.897 HD12 ' H ' ' A' ' 82' ' ' ALA . 0.1 OUTLIER -165.7 174.0 10.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.897 ' H ' HD12 ' A' ' 81' ' ' LEU . . . -80.4 173.66 12.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 -179.975 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.3 mttm -63.56 -12.37 32.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -61.54 -39.21 90.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.247 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -68.69 -30.58 69.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 110.28 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.2 mmtt -66.78 -32.17 73.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.4 ' O ' ' HB3' ' A' ' 15' ' ' LYS . 7.5 t70 -60.81 -43.18 98.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.844 ' CE2' ' CD2' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -67.71 -51.18 52.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.986 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.559 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 24.5 ttt180 -59.84 -28.93 67.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.324 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.4 ' HB3' ' O ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -54.48 -59.18 5.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 109.331 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.16 -30.81 25.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 1.189 ' O ' ' N ' ' A' ' 19' ' ' TYR . 10.1 m-85 -87.28 29.79 0.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 111.022 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -35.2 7.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.346 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 1.189 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -64.34 121.96 15.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 111.012 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -100.42 98.18 8.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.696 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.8 -170.1 16.21 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.534 1.146 . . . . 0.0 111.045 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -102.72 92.25 4.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 0.758 . . . . 0.0 110.284 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.873 HD13 ' CE2' ' A' ' 73' ' ' TYR . 0.2 OUTLIER -67.52 109.22 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? -153.38 115.28 4.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.293 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.958 HG11 ' HG2' ' A' ' 54' ' ' GLU . 66.2 t -67.27 100.26 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -92.68 -47.33 7.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.355 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 1.076 ' CE2' HG11 ' A' ' 55' ' ' VAL . 36.9 p90 -125.89 89.56 3.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 111.011 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.716 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 15.4 p -72.93 110.27 7.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.014 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 1.006 HG21 HD21 ' A' ' 81' ' ' LEU . 1.5 t -87.74 158.46 18.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 110.403 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.831 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 0.1 OUTLIER -105.41 137.23 43.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.266 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.685 ' CG1' HD12 ' A' ' 35' ' ' ILE . 1.7 t -72.63 142.09 15.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.675 HG23 ' H ' ' A' ' 34' ' ' SER . 10.5 t -94.36 -179.7 5.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.397 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.482 ' HA ' ' HB2' ' A' ' 49' ' ' PRO . 14.0 t -80.82 -23.75 38.96 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.109 . . . . 0.0 110.408 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.675 ' H ' HG23 ' A' ' 32' ' ' THR . 24.1 t -91.17 13.6 16.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.996 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.685 HD12 ' CG1' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -70.54 171.97 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.893 HG23 ' CZ3' ' A' ' 40' ' ' TRP . 5.8 t -69.25 116.87 10.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 110.408 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.473 ' HB3' ' HD3' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -118.11 -27.49 6.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.019 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.427 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 0.8 OUTLIER -103.21 -47.25 4.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.534 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -68.13 123.43 20.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.893 ' CZ3' HG23 ' A' ' 36' ' ' THR . 8.3 m95 -143.48 132.26 22.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 108.016 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.426 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -117.82 158.37 14.68 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.485 1.115 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.4 m -56.23 -37.18 69.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 0.744 . . . . 0.0 110.407 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.641 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 7.4 mtm180 -96.75 7.25 47.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.333 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.426 ' CB ' ' H ' ' A' ' 41' ' ' GLY . 0.1 OUTLIER -103.69 162.96 12.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.143 . . . . 0.0 109.281 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.988 HD23 ' CG1' ' A' ' 47' ' ' VAL . 4.7 tp -96.96 149.03 22.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.495 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 0.2 OUTLIER -88.98 33.6 0.79 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.286 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.988 ' CG1' HD23 ' A' ' 45' ' ' LEU . 22.3 m -62.95 159.69 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.1 157.97 35.6 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.598 ' CA ' HG22 ' A' ' 35' ' ' ILE . 18.2 Cg_endo -74.96 125.91 9.65 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.487 1.782 . . . . 0.0 111.025 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 32' ' ' THR . . . 100.5 11.99 39.71 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.516 1.135 . . . . 0.0 110.972 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.522 ' O ' ' N ' ' A' ' 31' ' ' VAL . 0.3 OUTLIER -101.25 172.69 6.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 0.766 . . . . 0.0 110.243 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.38 129.94 43.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 110.019 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.811 HD11 ' O ' ' A' ' 67' ' ' ARG . 45.3 tp -139.94 165.49 27.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.251 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.958 ' HG2' HG11 ' A' ' 25' ' ' VAL . 3.9 mt-10 -78.2 134.32 37.63 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 1.076 HG11 ' CE2' ' A' ' 27' ' ' TYR . 2.2 t -103.82 131.1 53.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.147 . . . . 0.0 109.303 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.98 HG22 ' H ' ' A' ' 57' ' ' GLN . 4.1 mt -93.15 -137.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.98 ' H ' HG22 ' A' ' 56' ' ' ILE . 29.7 mm100 -94.78 156.91 16.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.362 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.678 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 5.8 p -67.61 123.23 19.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.378 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.539 ' HB ' ' HB3' ' A' ' 63' ' ' LYS . 1.2 m -55.34 -74.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 110.401 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.443 ' CG ' ' N ' ' A' ' 61' ' ' ASP . 4.1 t70 -104.71 -91.72 0.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.443 ' N ' ' CG ' ' A' ' 60' ' ' ASP . 1.8 m-20 -117.49 -57.36 2.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.437 ' O ' ' HB3' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -117.68 69.56 0.78 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.398 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.678 ' O ' ' HA ' ' A' ' 58' ' ' THR . 5.5 tttt -157.13 129.21 7.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.463 ' CG2' ' HG ' ' A' ' 81' ' ' LEU . 5.3 m -119.87 126.81 75.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.875 HD12 ' O ' ' A' ' 74' ' ' GLY . 0.2 OUTLIER -88.61 121.86 31.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.783 ' SG ' HG21 ' A' ' 76' ' ' VAL . 32.8 m -91.37 157.21 17.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 108.323 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.811 ' O ' HD11 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -134.52 142.94 47.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 110.289 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.467 ' ND2' ' H ' ' A' ' 72' ' ' LYS . 0.5 OUTLIER -120.47 139.83 52.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.304 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.53 -13.55 1.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -59.41 -10.24 3.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.303 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 87.36 15.67 61.8 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.541 1.151 . . . . 0.0 111.034 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.467 ' H ' ' ND2' ' A' ' 68' ' ' ASN . 0.1 OUTLIER -124.74 155.53 39.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 0.758 . . . . 0.0 109.306 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.873 ' CE2' HD13 ' A' ' 23' ' ' ILE . 6.9 m-85 -118.75 167.21 11.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.975 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.875 ' O ' HD12 ' A' ' 65' ' ' LEU . . . -158.17 157.8 28.62 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.541 1.151 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.899 ' CZ ' ' CE2' ' A' ' 17' ' ' PHE . 2.4 m-85 -104.96 151.79 23.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 0.764 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.783 HG21 ' SG ' ' A' ' 66' ' ' CYS . 2.2 t -139.07 125.65 24.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.164 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.498 HD23 ' H ' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -76.29 144.33 40.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.341 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.498 ' H ' HD23 ' A' ' 77' ' ' LEU . 0.1 OUTLIER -56.15 -22.53 29.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 110.324 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.54 -59.09 4.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.983 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.754 ' CE1' HG21 ' A' ' 36' ' ' THR . 9.8 p90 -117.42 81.06 1.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 111.033 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 1.068 HD13 ' O ' ' A' ' 82' ' ' ALA . 0.7 OUTLIER -163.66 144.68 8.98 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 1.068 ' O ' HD13 ' A' ' 81' ' ' LEU . . . -54.58 174.23 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -180.0 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.4 mmtt -83.59 -15.13 50.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.345 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.402 ' CB ' ' HB2' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -64.53 -25.48 68.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -60.84 -41.34 95.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.301 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -70.32 -29.45 66.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.443 ' O ' ' HB3' ' A' ' 15' ' ' LYS . 12.9 t70 -74.67 -31.86 62.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.848 ' CE2' ' CD2' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -64.46 -51.49 62.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 0.0 110.996 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.533 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 0.9 OUTLIER -59.97 -29.89 68.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.487 ' CE ' ' HB2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -54.51 -58.01 9.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.487 ' HB2' ' CE ' ' A' ' 15' ' ' LYS . 5.3 tptt -84.42 -31.87 24.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 1.218 ' O ' ' N ' ' A' ' 19' ' ' TYR . 10.1 m-85 -87.42 30.1 0.82 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.972 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -34.54 6.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 1.218 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -65.21 122.29 16.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.994 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -100.9 97.97 8.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.253 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.683 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.62 -169.67 15.66 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.511 1.132 . . . . 0.0 111.026 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -102.88 92.57 4.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 0.743 . . . . 0.0 110.322 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.949 HG12 HD13 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -67.08 108.47 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -154.78 118.48 4.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.336 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 1.126 HG21 ' CG ' ' A' ' 54' ' ' GLU . 6.6 p -65.62 98.86 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.3 -47.65 7.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 1.016 ' CE2' HG11 ' A' ' 55' ' ' VAL . 39.2 p90 -126.26 88.97 2.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 111.029 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.66 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 54.6 p -73.52 110.35 7.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.026 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 1.101 HG21 HD21 ' A' ' 81' ' ' LEU . 1.6 t -89.35 158.64 17.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.382 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.732 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 1.0 OUTLIER -103.15 137.47 41.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.695 ' CG1' HD12 ' A' ' 35' ' ' ILE . 1.7 t -72.96 146.33 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.15 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 50' ' ' GLY . 9.7 t -95.22 179.22 5.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 110.427 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.462 ' HA ' ' HB2' ' A' ' 49' ' ' PRO . 1.2 t -80.67 -25.26 38.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 110.426 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.2 t -91.47 14.34 15.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.976 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.695 HD12 ' CG1' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -70.08 171.98 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.897 HG23 ' CZ3' ' A' ' 40' ' ' TRP . 5.2 t -69.27 117.52 11.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.435 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.44 ' HB3' ' HG3' ' A' ' 49' ' ' PRO . 0.1 OUTLIER -119.02 -27.92 5.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.992 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.424 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 2.4 ptpp? -102.68 -47.56 4.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.58 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -67.79 123.29 20.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.897 ' CZ3' HG23 ' A' ' 36' ' ' THR . 6.9 m95 -143.53 129.71 19.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 107.99 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.458 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -118.86 159.29 14.49 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.518 1.136 . . . . 0.0 110.965 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.2 t -56.38 -36.2 68.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 0.783 . . . . 0.0 110.437 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.643 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 8.6 mtm105 -97.06 7.51 46.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 110.305 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.458 ' CB ' ' H ' ' A' ' 41' ' ' GLY . 0.4 OUTLIER -104.02 163.15 12.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.921 HD23 ' CG1' ' A' ' 47' ' ' VAL . 6.6 tp -97.12 148.71 22.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.567 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 4.7 tt0 -88.21 31.38 0.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.313 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.921 ' CG1' HD23 ' A' ' 45' ' ' LEU . 34.2 m -64.27 160.29 3.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -111.79 158.55 36.31 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.269 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.626 ' CA ' HG22 ' A' ' 35' ' ' ILE . 18.4 Cg_endo -74.95 123.94 8.28 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.545 1.813 . . . . 0.0 111.024 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 32' ' ' THR . . . 100.79 14.6 31.3 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.477 1.111 . . . . 0.0 111.006 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.603 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.9 OUTLIER -105.64 171.14 7.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 0.753 . . . . 0.0 110.265 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.4 p -131.99 129.44 40.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.024 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 1.008 HD21 ' CB ' ' A' ' 66' ' ' CYS . 0.0 OUTLIER -140.99 170.05 16.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 1.126 ' CG ' HG21 ' A' ' 25' ' ' VAL . 0.7 OUTLIER -77.61 134.82 38.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.325 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 1.016 HG11 ' CE2' ' A' ' 27' ' ' TYR . 2.1 t -106.27 134.4 47.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.994 HG22 ' H ' ' A' ' 57' ' ' GLN . 6.9 mt -92.72 -140.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.994 ' H ' HG22 ' A' ' 56' ' ' ILE . 25.8 mm-40 -96.98 158.2 15.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.142 . . . . 0.0 110.286 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.631 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 7.9 p -67.91 128.85 38.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.408 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.472 ' OG1' ' CE1' ' A' ' 75' ' ' TYR . 1.2 m -61.21 -75.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.407 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.427 ' CG ' ' N ' ' A' ' 61' ' ' ASP . 4.7 t0 -105.42 -92.64 0.37 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.427 ' N ' ' CG ' ' A' ' 60' ' ' ASP . 0.9 OUTLIER -117.64 -56.58 2.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.835 HG22 ' CB ' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -115.38 67.76 0.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 110.436 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.631 ' O ' ' HA ' ' A' ' 58' ' ' THR . 0.0 OUTLIER -157.9 130.15 7.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.33 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.518 ' CG2' ' HG ' ' A' ' 81' ' ' LEU . 17.2 m -124.2 124.75 69.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.772 HD12 ' O ' ' A' ' 74' ' ' GLY . 0.1 OUTLIER -90.11 121.22 31.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.332 179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 1.008 ' CB ' HD21 ' A' ' 53' ' ' LEU . 4.9 m -98.93 160.94 13.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 108.303 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.711 ' HG3' ' CD2' ' A' ' 73' ' ' TYR . 0.9 OUTLIER -134.62 144.44 47.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 72' ' ' LYS . 0.2 OUTLIER -119.44 143.46 47.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.33 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.15 -14.5 1.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 110.258 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.41 ' N ' ' C ' ' A' ' 68' ' ' ASN . 2.4 tp10 -59.47 -11.97 5.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.253 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.55 21.04 58.94 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.455 1.097 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.457 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 0.0 OUTLIER -124.59 148.9 47.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 0.736 . . . . 0.0 109.311 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.81 ' CE2' HD13 ' A' ' 23' ' ' ILE . 27.7 m-85 -115.32 156.87 24.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.981 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.772 ' O ' HD12 ' A' ' 65' ' ' LEU . . . -157.45 160.05 30.26 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.48 1.113 . . . . 0.0 111.019 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.902 ' CZ ' ' CE2' ' A' ' 17' ' ' PHE . 8.4 m-85 -102.95 153.13 20.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 0.771 . . . . 0.0 110.977 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.783 HG21 ' SG ' ' A' ' 66' ' ' CYS . 1.8 t -133.93 124.12 46.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.412 HD23 ' H ' ' A' ' 78' ' ' ARG . 0.1 OUTLIER -74.1 141.87 45.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.835 ' CB ' HG22 ' A' ' 62' ' ' THR . 0.0 OUTLIER -56.55 -22.05 30.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 0.0 110.28 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.4 ' HA ' ' NH2' ' A' ' 78' ' ' ARG . 15.6 t -49.91 -59.44 3.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 110.028 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.721 ' CE1' HG21 ' A' ' 36' ' ' THR . 9.0 p90 -117.38 80.58 1.52 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 110.982 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 1.101 HD21 HG21 ' A' ' 29' ' ' THR . 0.5 OUTLIER -164.52 141.77 6.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 1.087 ' N ' HD22 ' A' ' 81' ' ' LEU . . . -55.08 174.53 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -62.98 -12.33 24.95 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.25 -26.43 67.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.308 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.92 -41.32 97.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.69 -32.83 70.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.434 ' O ' ' HB3' ' A' ' 15' ' ' LYS . 32.6 t70 -76.68 -31.7 57.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.997 ' CE1' ' CD2' ' A' ' 17' ' ' PHE . 18.5 t80 -61.88 -52.68 63.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 111.042 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.45 ' HG2' ' N ' ' A' ' 15' ' ' LYS . 2.4 ptm180 -59.29 -30.82 68.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.347 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.45 ' N ' ' HG2' ' A' ' 14' ' ' ARG . 0.2 OUTLIER -54.11 -58.2 8.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.472 ' CG ' ' HD3' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -84.47 -33.76 23.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 1.184 ' O ' ' N ' ' A' ' 19' ' ' TYR . 15.1 m-85 -87.85 27.37 1.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -35.52 7.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 1.184 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -64.24 121.22 13.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 111.014 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -100.31 97.89 8.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.69 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -147.92 -170.32 15.85 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.528 1.142 . . . . 0.0 111.03 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -99.79 92.41 5.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 0.758 . . . . 0.0 110.277 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.927 HD13 ' CE2' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -68.85 107.98 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.308 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.19 121.51 5.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.345 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 1.072 HG21 ' CG ' ' A' ' 54' ' ' GLU . 6.0 p -67.26 100.79 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.35 -49.95 6.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 1.079 ' CE2' HG11 ' A' ' 55' ' ' VAL . 34.6 p90 -127.44 88.31 2.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.699 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 59.4 p -73.7 110.92 8.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.987 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.744 ' OG1' ' HB3' ' A' ' 82' ' ' ALA . 1.8 t -88.15 161.49 17.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 110.427 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.536 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 0.5 OUTLIER -101.32 137.4 39.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 51' ' ' GLU . 1.9 t -73.12 134.04 30.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.857 HG22 ' H ' ' A' ' 34' ' ' SER . 1.3 m -84.53 135.24 34.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.108 . . . . 0.0 110.378 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.546 ' O ' ' HB2' ' A' ' 49' ' ' PRO . 12.8 t -47.39 -11.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.098 . . . . 0.0 110.364 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.857 ' H ' HG22 ' A' ' 32' ' ' THR . 1.1 p -103.51 15.77 28.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.972 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.766 HG22 ' CA ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -69.88 175.47 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.303 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.899 HG23 ' CZ3' ' A' ' 40' ' ' TRP . 4.2 t -69.28 118.99 12.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.368 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.419 ' HB3' ' CD ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -117.91 -26.57 6.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.02 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.438 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 2.0 ptmm? -103.91 -47.84 4.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.547 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -67.71 123.9 21.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.899 ' CZ3' HG23 ' A' ' 36' ' ' THR . 7.2 m95 -144.23 129.37 18.65 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.462 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -117.55 158.94 14.34 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.512 1.132 . . . . 0.0 110.983 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.2 m -56.07 -35.62 67.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 0.778 . . . . 0.0 110.388 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.712 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 29.0 mtm180 -95.68 5.36 51.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 110.273 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.462 ' CB ' ' H ' ' A' ' 41' ' ' GLY . 0.4 OUTLIER -103.58 161.83 13.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.856 HD23 ' CG1' ' A' ' 47' ' ' VAL . 7.3 tp -97.63 152.35 19.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.262 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.581 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 6.7 tt0 -87.6 31.53 0.75 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.308 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.856 ' CG1' HD23 ' A' ' 45' ' ' LEU . 35.0 m -63.91 159.8 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.02 155.41 41.74 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.766 ' CA ' HG22 ' A' ' 35' ' ' ILE . 18.2 Cg_endo -75.01 128.96 11.89 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.519 1.799 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 98.22 11.06 50.07 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.501 1.125 . . . . 0.0 110.978 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.725 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.5 OUTLIER -103.58 172.48 6.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 0.763 . . . . 0.0 110.327 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.44 ' HB3' ' CG ' ' A' ' 30' ' ' LYS . 0.9 OUTLIER -124.88 129.59 50.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.983 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.795 HD11 ' O ' ' A' ' 67' ' ' ARG . 31.2 tp -139.36 164.51 29.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.082 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 1.072 ' CG ' HG21 ' A' ' 25' ' ' VAL . 0.7 OUTLIER -78.39 132.0 37.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.315 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 1.079 HG11 ' CE2' ' A' ' 27' ' ' TYR . 2.3 t -102.69 129.09 54.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.98 HG22 ' H ' ' A' ' 57' ' ' GLN . 4.3 mt -92.33 -138.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.98 ' H ' HG22 ' A' ' 56' ' ' ILE . 19.7 mm-40 -94.36 157.24 16.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.27 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.736 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 8.3 p -67.67 123.75 21.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 110.423 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.553 ' OG1' ' CE1' ' A' ' 75' ' ' TYR . 1.3 m -54.96 -74.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.375 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -104.58 -91.17 0.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -117.27 -57.57 2.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.556 HG21 ' CD ' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -117.53 69.13 0.76 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 110.359 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.736 ' O ' ' HA ' ' A' ' 58' ' ' THR . 0.1 OUTLIER -157.35 129.76 7.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.905 HG22 HD13 ' A' ' 81' ' ' LEU . 3.6 m -120.57 128.26 76.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.885 HD21 HD12 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -87.48 124.52 33.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.368 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.725 ' SG ' HG21 ' A' ' 76' ' ' VAL . 14.0 m -89.56 158.49 17.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 108.309 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.795 ' O ' HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -134.43 146.94 50.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.267 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.618 ' OD1' HD21 ' A' ' 45' ' ' LEU . 6.4 m120 -113.17 139.89 48.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -53.93 -18.65 3.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 110.329 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -79.46 -4.54 51.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 88.51 17.78 56.31 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.549 1.156 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.437 ' HE3' HD11 ' A' ' 45' ' ' LEU . 14.7 ttpt -96.4 124.69 40.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.765 . . . . 0.0 109.272 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.927 ' CE2' HD13 ' A' ' 23' ' ' ILE . 12.4 m-85 -111.89 151.6 28.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 111.008 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.542 ' HA3' HD13 ' A' ' 45' ' ' LEU . . . -159.37 161.76 32.35 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.529 1.143 . . . . 0.0 110.973 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.921 ' CZ ' ' CE2' ' A' ' 17' ' ' PHE . 10.1 m-85 -101.26 154.19 18.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.76 . . . . 0.0 111.006 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.725 HG21 ' SG ' ' A' ' 66' ' ' CYS . 4.0 t -143.11 126.42 13.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.417 HD23 ' H ' ' A' ' 78' ' ' ARG . 0.1 OUTLIER -72.84 142.03 47.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.335 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.556 ' CD ' HG21 ' A' ' 62' ' ' THR . 0.0 OUTLIER -57.31 -19.42 22.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.331 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.433 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 21.8 t -47.03 -58.24 4.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.104 . . . . 0.0 110.031 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.662 ' CE1' HG21 ' A' ' 36' ' ' THR . 7.5 p90 -116.56 84.22 2.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 111.009 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.905 HD13 HG22 ' A' ' 64' ' ' VAL . 0.3 OUTLIER -162.98 176.58 9.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.769 ' H ' HD23 ' A' ' 81' ' ' LEU . . . -89.87 173.97 7.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.982 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.9 mtmm -83.04 -12.82 56.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -61.92 -25.9 67.86 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 110.311 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -67.27 -31.86 72.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.271 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.528 ' O ' ' CG ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -67.1 -31.4 71.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.73 ' O ' ' HG3' ' A' ' 15' ' ' LYS . 64.7 t0 -60.01 -39.93 87.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.846 ' CE2' ' CD2' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -82.38 -49.99 9.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.565 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 7.9 ttt180 -58.27 -36.99 74.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.315 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.73 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -51.78 -57.41 9.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.317 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.426 ' N ' ' HD3' ' A' ' 15' ' ' LYS . 1.2 tptp -82.37 -35.48 27.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 1.19 ' O ' ' N ' ' A' ' 19' ' ' TYR . 9.2 m-85 -87.41 30.59 0.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -35.57 8.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.256 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 1.19 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -63.26 122.01 15.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -100.31 98.16 8.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.258 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.698 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.31 -169.82 15.63 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.496 1.122 . . . . 0.0 110.976 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -102.26 92.26 4.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 0.781 . . . . 0.0 110.315 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.937 HD13 ' CE2' ' A' ' 73' ' ' TYR . 0.4 OUTLIER -69.98 109.14 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.352 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.14 131.67 12.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.314 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.496 ' HB ' ' CD ' ' A' ' 54' ' ' GLU . 7.6 p -74.16 98.12 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.65 -49.2 6.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 1.118 ' CE2' HG11 ' A' ' 55' ' ' VAL . 27.7 p90 -130.64 87.96 2.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 0.0 111.054 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.591 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 38.6 p -71.2 110.99 6.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.97 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.736 HG22 ' CG2' ' A' ' 55' ' ' VAL . 1.2 t -92.13 161.18 14.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.394 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.798 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -101.1 138.74 37.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.165 . . . . 0.0 109.319 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 51' ' ' GLU . 2.1 t -70.52 120.3 18.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.822 HG22 ' H ' ' A' ' 34' ' ' SER . 1.2 m -75.53 133.34 41.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.43 1.081 . . . . 0.0 110.351 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.581 ' O ' ' HB2' ' A' ' 49' ' ' PRO . 14.2 t -43.07 -20.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 110.428 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.822 ' H ' HG22 ' A' ' 32' ' ' THR . 0.2 OUTLIER -89.69 13.77 13.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.984 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.693 HG12 ' O ' ' A' ' 80' ' ' TYR . 0.0 OUTLIER -71.32 173.55 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.102 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.901 HG23 ' CZ3' ' A' ' 40' ' ' TRP . 2.4 t -70.77 120.25 16.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.404 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.68 -27.62 5.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 110.021 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.434 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -104.42 -47.81 4.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.259 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.568 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -67.35 124.97 24.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.901 ' CZ3' HG23 ' A' ' 36' ' ' THR . 6.5 m95 -144.58 129.61 18.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 108.026 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.457 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -118.6 159.68 14.28 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.502 1.126 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.4 t -56.81 -35.81 69.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 0.745 . . . . 0.0 110.349 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.666 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 9.2 mtm180 -96.49 6.83 47.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.457 ' CB ' ' H ' ' A' ' 41' ' ' GLY . 0.4 OUTLIER -103.81 162.74 12.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.34 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.9 HD13 ' HA3' ' A' ' 74' ' ' GLY . 6.1 tp -97.7 151.27 20.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.603 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 5.5 tt0 -88.07 31.24 0.8 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.764 ' O ' ' CH2' ' A' ' 40' ' ' TRP . 19.3 m -64.19 159.97 3.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -111.87 155.61 42.97 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 109.357 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.659 ' CA ' HG22 ' A' ' 35' ' ' ILE . 18.3 Cg_endo -75.0 130.19 13.04 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.463 1.77 . . . . 0.0 110.984 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.06 11.78 44.85 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.641 ' O ' HG23 ' A' ' 31' ' ' VAL . 1.2 mt-10 -105.06 172.15 6.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 0.751 . . . . 0.0 110.283 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.1 t -125.4 130.3 51.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 110.033 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.765 HD23 ' HB3' ' A' ' 66' ' ' CYS . 28.9 tp -139.47 166.71 23.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.598 ' O ' ' HA ' ' A' ' 66' ' ' CYS . 0.9 OUTLIER -78.2 132.47 37.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.278 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 1.118 HG11 ' CE2' ' A' ' 27' ' ' TYR . 2.2 t -102.68 126.58 56.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.977 HG22 ' H ' ' A' ' 57' ' ' GLN . 4.6 mt -91.4 -138.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.977 ' H ' HG22 ' A' ' 56' ' ' ILE . 29.1 mm100 -94.87 156.85 16.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.291 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.702 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 6.5 p -67.82 122.8 18.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.385 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.529 ' HB ' ' HB3' ' A' ' 63' ' ' LYS . 1.1 m -54.53 -74.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.434 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.453 ' N ' HG22 ' A' ' 59' ' ' THR . 1.0 OUTLIER -104.76 -91.45 0.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.095 . . . . 0.0 109.29 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -118.09 -56.82 2.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.598 HG22 ' CB ' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -117.92 69.82 0.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.404 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.702 ' O ' ' HA ' ' A' ' 58' ' ' THR . 4.0 tttt -157.34 130.49 7.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.682 HG22 HD22 ' A' ' 81' ' ' LEU . 3.9 m -121.09 127.77 75.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.914 HD12 ' O ' ' A' ' 74' ' ' GLY . 0.7 OUTLIER -88.79 122.44 32.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.343 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.765 ' HB3' HD23 ' A' ' 53' ' ' LEU . 30.4 m -91.79 156.69 17.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 108.269 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.765 ' O ' HD11 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -134.98 142.44 46.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.292 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.476 ' ND2' ' O ' ' A' ' 72' ' ' LYS . 0.3 OUTLIER -120.7 141.72 50.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.339 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -56.43 -13.11 2.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.336 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -60.57 -9.52 3.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.281 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.4 14.02 66.92 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.499 1.125 . . . . 0.0 111.028 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.476 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 2.1 ttpm? -122.46 156.62 33.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 0.778 . . . . 0.0 109.322 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.937 ' CE2' HD13 ' A' ' 23' ' ' ILE . 7.0 m-85 -119.82 167.64 11.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 110.99 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.914 ' O ' HD12 ' A' ' 65' ' ' LEU . . . -157.34 158.61 29.08 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.501 1.126 . . . . 0.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.887 ' CZ ' ' CE2' ' A' ' 17' ' ' PHE . 2.0 m-85 -105.44 153.78 21.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 0.776 . . . . 0.0 110.956 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.761 HG21 ' SG ' ' A' ' 66' ' ' CYS . 2.3 t -142.52 125.92 14.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.475 HD23 ' H ' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -79.55 144.16 34.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.293 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.598 ' CB ' HG22 ' A' ' 62' ' ' THR . 0.0 OUTLIER -57.51 -21.98 41.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 110.266 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.447 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 14.6 t -50.44 -59.29 4.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 110.011 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.749 ' CE1' ' CG2' ' A' ' 36' ' ' THR . 21.2 p90 -117.42 83.99 2.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.967 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.878 HD12 ' H ' ' A' ' 82' ' ' ALA . 0.1 OUTLIER -166.42 173.3 10.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.576 1.173 . . . . 0.0 109.285 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.878 ' H ' HD12 ' A' ' 81' ' ' LEU . . . -76.42 174.11 10.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -73.94 -10.96 60.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -60.48 -24.58 65.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.286 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.456 ' O ' ' HB3' ' A' ' 13' ' ' PHE . 1.5 tm-20 -60.63 -41.83 95.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.602 ' O ' ' HD2' ' A' ' 15' ' ' LYS . 3.6 mmtp -73.06 -48.73 33.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.614 ' O ' ' HB2' ' A' ' 15' ' ' LYS . 10.7 t70 -58.17 -29.3 65.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.934 ' CE2' ' CD2' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -62.5 -46.08 90.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 111.047 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.491 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 0.8 OUTLIER -59.27 -29.76 67.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.338 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.614 ' HB2' ' O ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -54.33 -60.23 3.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 109.299 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.491 ' HG2' ' CD ' ' A' ' 43' ' ' ARG . 19.9 tptt -82.73 -33.7 27.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.26 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 1.213 ' O ' ' N ' ' A' ' 19' ' ' TYR . 12.3 m-85 -88.98 27.98 1.26 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -34.96 6.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.348 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 1.213 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -64.75 122.76 17.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.975 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -101.64 97.97 8.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.147 . . . . 0.0 109.295 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.693 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.83 -170.02 16.15 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.43 1.081 . . . . 0.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -100.82 92.81 5.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.561 0.801 . . . . 0.0 110.335 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.853 HG12 HD13 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -65.72 107.32 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.433 ' O ' ' HG3' ' A' ' 24' ' ' ARG . 16.6 ptm180 -154.43 125.63 7.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.322 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 1.116 HG21 ' CG ' ' A' ' 54' ' ' GLU . 4.2 p -73.1 99.03 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.13 -47.89 7.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 1.093 ' CE2' HG11 ' A' ' 55' ' ' VAL . 33.2 p90 -126.79 87.52 2.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.678 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 86.0 p -71.91 111.26 7.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 110.032 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 1.033 HG21 HD21 ' A' ' 81' ' ' LEU . 1.8 t -89.47 158.39 17.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 110.359 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.868 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 0.4 OUTLIER -103.67 137.01 42.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.329 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.682 ' CG1' HD12 ' A' ' 35' ' ' ILE . 1.8 t -73.64 145.48 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.869 HG23 ' H ' ' A' ' 34' ' ' SER . 2.4 t -94.82 178.55 5.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 110.419 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.472 ' HA ' ' HB2' ' A' ' 49' ' ' PRO . 6.8 t -80.26 -24.55 40.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 110.386 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.869 ' H ' HG23 ' A' ' 32' ' ' THR . 20.6 t -91.75 14.48 15.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.046 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.682 HD12 ' CG1' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -70.23 172.21 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.285 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.895 HG23 ' CZ3' ' A' ' 40' ' ' TRP . 5.0 t -69.2 117.41 10.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.431 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.407 ' HB3' ' HD3' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -118.13 -28.33 5.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.977 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.424 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 13.6 pttp -103.53 -47.26 4.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.243 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.549 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -67.57 123.63 20.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.895 ' CZ3' HG23 ' A' ' 36' ' ' THR . 7.6 m95 -143.81 130.29 20.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 108.005 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.473 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -118.25 159.69 14.18 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.534 1.146 . . . . 0.0 110.987 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -56.51 -35.7 68.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 0.784 . . . . 0.0 110.385 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.639 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 6.0 mtm180 -96.79 7.23 47.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.473 ' CB ' ' H ' ' A' ' 41' ' ' GLY . 0.5 OUTLIER -104.43 162.06 13.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.852 HD23 ' CG1' ' A' ' 47' ' ' VAL . 4.2 tp -97.08 152.38 18.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.568 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 5.5 tt0 -88.74 31.59 0.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 110.352 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.852 ' CG1' HD23 ' A' ' 45' ' ' LEU . 27.1 m -64.0 161.3 2.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.69 158.26 39.35 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.638 ' CA ' HG22 ' A' ' 35' ' ' ILE . 18.3 Cg_endo -75.0 125.03 9.06 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.501 1.79 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 32' ' ' THR . . . 100.42 13.01 36.84 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.552 1.158 . . . . 0.0 110.997 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.594 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.2 OUTLIER -104.65 171.96 7.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 0.778 . . . . 0.0 110.339 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.22 129.74 43.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.013 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.779 HD23 ' HB3' ' A' ' 66' ' ' CYS . 62.0 tp -139.97 166.07 25.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.352 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 1.116 ' CG ' HG21 ' A' ' 25' ' ' VAL . 0.8 OUTLIER -77.4 133.13 38.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 1.093 HG11 ' CE2' ' A' ' 27' ' ' TYR . 2.1 t -102.94 130.62 52.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.967 HG22 ' H ' ' A' ' 57' ' ' GLN . 5.3 mt -92.26 -137.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.967 ' H ' HG22 ' A' ' 56' ' ' ILE . 20.0 mm100 -94.61 157.01 16.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.362 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.67 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 3.1 p -67.41 122.92 19.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 110.432 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.629 ' OG1' ' CE1' ' A' ' 75' ' ' TYR . 1.4 m -54.78 -74.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.428 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.417 ' CG ' ' N ' ' A' ' 61' ' ' ASP . 5.8 t70 -104.9 -91.68 0.38 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.417 ' N ' ' CG ' ' A' ' 60' ' ' ASP . 42.2 m-20 -118.08 -56.77 2.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.657 HG22 ' CB ' ' A' ' 78' ' ' ARG . 0.6 OUTLIER -117.53 69.52 0.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.405 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.67 ' O ' ' HA ' ' A' ' 58' ' ' THR . 0.6 OUTLIER -158.23 129.78 6.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.269 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.537 HG22 ' HG ' ' A' ' 81' ' ' LEU . 3.8 m -120.82 126.84 75.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.847 HD21 HD12 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -88.72 121.72 31.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.864 ' SG ' HG21 ' A' ' 76' ' ' VAL . 35.6 m -93.71 155.39 17.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 108.263 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.779 ' O ' HD11 ' A' ' 53' ' ' LEU . 0.7 OUTLIER -136.27 143.25 44.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 110.334 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 72' ' ' LYS . 0.1 OUTLIER -120.22 145.95 46.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.94 -15.46 1.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 110.317 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.405 ' N ' ' C ' ' A' ' 68' ' ' ASN . 7.5 tp10 -59.48 -11.55 4.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 110.331 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 82.0 26.82 47.72 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.445 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 2.1 ttpm? -124.08 146.47 48.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 0.753 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.725 ' CD2' ' HG3' ' A' ' 67' ' ' ARG . 35.8 m-85 -119.06 153.8 34.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.967 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.801 ' O ' HD12 ' A' ' 65' ' ' LEU . . . -158.2 161.6 31.72 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.889 ' CZ ' ' CE2' ' A' ' 17' ' ' PHE . 11.9 m-85 -102.96 153.64 20.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 0.752 . . . . 0.0 110.993 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.864 HG21 ' SG ' ' A' ' 66' ' ' CYS . 2.2 t -133.32 126.38 52.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.424 HD23 ' H ' ' A' ' 78' ' ' ARG . 0.1 OUTLIER -75.8 142.74 42.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.337 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.657 ' CB ' HG22 ' A' ' 62' ' ' THR . 0.0 OUTLIER -57.24 -22.89 44.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.27 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 17.6 t -48.94 -59.06 3.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.988 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.69 ' CE1' HG21 ' A' ' 36' ' ' THR . 6.4 p90 -117.9 80.3 1.49 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 111.013 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 1.059 HD13 ' O ' ' A' ' 82' ' ' ALA . 0.8 OUTLIER -163.23 143.74 9.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 109.344 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 1.059 ' O ' HD13 ' A' ' 81' ' ' LEU . . . -55.45 174.8 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.944 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.7 mtmm -63.09 -16.2 59.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.43 -42.12 45.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.262 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -70.01 -38.75 76.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 110.363 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.05 -37.66 85.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.4 ' O ' ' HB3' ' A' ' 15' ' ' LYS . 5.4 t0 -62.63 -42.83 99.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.858 ' CE2' ' CD2' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -67.76 -52.06 41.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.128 . . . . 0.0 110.994 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.52 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 13.7 ttt180 -59.63 -28.47 67.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.425 ' CE ' ' HB2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -54.78 -59.07 5.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.265 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.425 ' HB2' ' CE ' ' A' ' 15' ' ' LYS . 1.3 tptt -84.61 -31.16 24.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 1.201 ' O ' ' N ' ' A' ' 19' ' ' TYR . 13.5 m-85 -86.93 29.56 0.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.981 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -34.87 7.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 1.201 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -65.3 121.87 15.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.972 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -100.12 98.09 8.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.698 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.68 -169.89 15.93 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.548 1.155 . . . . 0.0 111.021 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -103.19 92.37 4.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 0.788 . . . . 0.0 110.287 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.865 HG12 HD13 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -66.97 108.4 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.66 115.58 3.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.341 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.93 HG11 ' HG2' ' A' ' 54' ' ' GLU . 65.2 t -66.33 99.88 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.336 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.85 -47.31 7.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 1.06 ' CE2' HG11 ' A' ' 55' ' ' VAL . 38.4 p90 -125.84 89.79 3.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.987 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.703 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 14.4 t -74.38 110.52 8.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.011 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.884 HG21 HD21 ' A' ' 81' ' ' LEU . 1.4 t -90.49 159.95 16.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.398 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.774 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 4.3 mtmp? -103.15 137.76 40.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.664 ' CG1' HD12 ' A' ' 35' ' ' ILE . 1.8 t -71.09 144.32 13.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.634 HG23 ' H ' ' A' ' 34' ' ' SER . 8.0 t -94.14 179.33 5.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.449 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.452 ' HA ' ' HB2' ' A' ' 49' ' ' PRO . 5.8 t -80.53 -25.29 38.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 110.418 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.634 ' H ' HG23 ' A' ' 32' ' ' THR . 19.2 t -90.18 14.02 13.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.043 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.664 HD12 ' CG1' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -70.35 171.7 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.284 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.883 HG23 ' CZ3' ' A' ' 40' ' ' TRP . 4.3 t -69.12 117.59 10.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 110.429 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.402 ' HB2' ' HD3' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -118.85 -27.88 5.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 109.993 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.428 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 0.2 OUTLIER -103.39 -47.44 4.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.579 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -67.7 123.59 20.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.883 ' CZ3' HG23 ' A' ' 36' ' ' THR . 6.9 m95 -143.67 129.4 19.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 108.002 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.465 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -118.77 159.37 14.44 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.521 1.138 . . . . 0.0 110.95 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -56.41 -35.87 68.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 0.75 . . . . 0.0 110.402 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.661 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 10.0 mtm180 -96.78 7.08 47.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.443 1.089 . . . . 0.0 110.311 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.465 ' CB ' ' H ' ' A' ' 41' ' ' GLY . 0.4 OUTLIER -104.08 163.1 12.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 1.009 HD23 ' CG1' ' A' ' 47' ' ' VAL . 5.4 tp -97.34 150.49 20.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.6 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 5.4 tt0 -88.46 31.38 0.83 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 110.289 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 1.009 ' CG1' HD23 ' A' ' 45' ' ' LEU . 34.3 m -64.02 160.46 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.36 157.96 38.58 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.642 ' CA ' HG22 ' A' ' 35' ' ' ILE . 18.4 Cg_endo -75.02 124.77 8.86 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.486 1.782 . . . . 0.0 111.03 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 32' ' ' THR . . . 100.82 13.37 34.62 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.485 1.116 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.56 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.5 OUTLIER -104.93 171.85 7.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 0.789 . . . . 0.0 110.286 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.21 130.07 48.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.989 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.757 HD11 ' O ' ' A' ' 67' ' ' ARG . 61.7 tp -140.25 165.8 26.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.93 ' HG2' HG11 ' A' ' 25' ' ' VAL . 3.5 mt-10 -77.73 134.37 38.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 1.06 HG11 ' CE2' ' A' ' 27' ' ' TYR . 2.2 t -104.16 130.16 55.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.978 HG22 ' H ' ' A' ' 57' ' ' GLN . 12.5 mt -91.92 -137.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.978 ' H ' HG22 ' A' ' 56' ' ' ILE . 11.6 tt0 -95.15 156.92 16.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.313 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.643 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 3.1 p -67.66 124.67 23.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 110.383 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.545 ' HB ' ' HB3' ' A' ' 63' ' ' LYS . 1.4 m -56.08 -74.88 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.538 1.148 . . . . 0.0 110.428 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -105.61 -91.52 0.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -117.98 -56.97 2.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.52 HG22 ' CB ' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -116.96 69.09 0.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.413 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.643 ' O ' ' HA ' ' A' ' 58' ' ' THR . 0.0 OUTLIER -158.13 129.69 6.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.277 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.533 HG22 ' HG ' ' A' ' 81' ' ' LEU . 3.8 m -121.59 126.21 74.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.358 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.866 HD12 ' O ' ' A' ' 74' ' ' GLY . 0.1 OUTLIER -89.49 121.25 31.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.783 ' SG ' HG21 ' A' ' 76' ' ' VAL . 34.6 m -90.14 158.6 17.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 108.299 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.757 ' O ' HD11 ' A' ' 53' ' ' LEU . 6.6 ttm180 -134.36 142.91 47.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.334 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.416 ' C ' ' H ' ' A' ' 70' ' ' GLU . 0.5 OUTLIER -121.03 142.51 49.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.347 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -57.3 -10.01 1.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 110.251 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.416 ' H ' ' C ' ' A' ' 68' ' ' ASN . 3.5 tp10 -61.06 -9.32 4.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 110.343 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 85.82 14.32 67.75 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.498 1.124 . . . . 0.0 111.032 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.94 156.95 37.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 0.789 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.822 ' CE2' HD13 ' A' ' 23' ' ' ILE . 4.5 m-85 -119.56 166.23 13.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 111.023 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.866 ' O ' HD12 ' A' ' 65' ' ' LEU . . . -157.75 158.7 29.29 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.525 1.141 . . . . 0.0 111.004 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.893 ' CZ ' ' CE2' ' A' ' 17' ' ' PHE . 4.5 m-85 -104.31 154.53 19.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 0.77 . . . . 0.0 110.985 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.783 HG21 ' SG ' ' A' ' 66' ' ' CYS . 2.2 t -140.16 125.52 20.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.449 HD23 ' H ' ' A' ' 78' ' ' ARG . 0.1 OUTLIER -77.02 143.85 39.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.52 ' CB ' HG22 ' A' ' 62' ' ' THR . 0.0 OUTLIER -56.99 -23.13 43.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.289 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.63 -59.68 3.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.987 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.733 ' CE1' HG21 ' A' ' 36' ' ' THR . 18.6 p90 -117.98 79.93 1.44 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 110.971 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 1.176 HD22 ' N ' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -165.25 140.46 5.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 1.176 ' N ' HD22 ' A' ' 81' ' ' LEU . . . -53.96 171.28 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.238 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.433 0 O-C-N 124.45 1.094 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.9 mttp -66.61 -24.13 66.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -62.37 -27.55 69.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.41 -31.45 72.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.273 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.2 mtmt -61.22 -30.83 70.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -74.6 -43.84 53.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.263 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.783 ' O ' ' HB2' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -68.08 -51.88 41.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 111.001 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.437 ' N ' ' CD2' ' A' ' 13' ' ' PHE . 4.1 ttt-85 -60.24 -28.31 67.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.308 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.51 -59.45 4.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.498 ' CG ' ' HD3' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -84.16 -32.6 24.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 1.2 ' O ' ' N ' ' A' ' 19' ' ' TYR . 10.5 m-85 -87.67 29.04 0.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.98 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -34.95 6.95 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 1.2 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -64.6 121.41 14.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 179.944 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -99.51 97.82 8.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.7 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.61 -169.75 15.74 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.454 1.096 . . . . 0.0 111.002 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -102.92 92.67 4.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 0.761 . . . . 0.0 110.272 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.857 HD13 ' CE2' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -67.19 108.54 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.336 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.403 ' CD ' ' O ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -154.34 116.54 4.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.163 . . . . 0.0 110.276 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.852 HG21 ' CG ' ' A' ' 54' ' ' GLU . 7.5 p -65.1 99.01 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -90.9 -48.36 7.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 1.148 ' CE2' HG11 ' A' ' 55' ' ' VAL . 34.5 p90 -127.65 84.93 2.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 110.973 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.749 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 12.2 p -72.77 110.67 7.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.992 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.755 HG22 ' CG2' ' A' ' 55' ' ' VAL . 3.1 t -85.33 161.24 19.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.368 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.94 136.61 40.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.623 ' CG1' HG21 ' A' ' 35' ' ' ILE . 1.6 t -73.66 119.15 20.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.77 HG23 ' H ' ' A' ' 34' ' ' SER . 12.1 t -77.91 178.87 7.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.437 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.524 ' HA ' ' HB2' ' A' ' 49' ' ' PRO . 1.3 t -80.04 -11.37 59.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 110.399 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.77 ' H ' HG23 ' A' ' 32' ' ' THR . 1.2 t -99.48 13.25 33.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 109.998 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.677 HG22 ' CA ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -70.78 171.58 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.881 ' O ' ' CH2' ' A' ' 40' ' ' TRP . 1.7 t -69.88 117.38 11.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 110.382 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -119.24 -28.09 5.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.954 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.438 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -103.36 -48.58 3.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.551 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -68.19 124.24 22.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 109.337 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.881 ' CH2' ' O ' ' A' ' 36' ' ' THR . 7.3 m95 -143.87 132.23 22.07 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.015 -1.105 . . . . 0.0 108.015 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.451 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -119.45 158.63 15.0 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.502 1.126 . . . . 0.0 111.041 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.7 t -56.33 -35.7 67.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 0.784 . . . . 0.0 110.419 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.631 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 8.1 mtm180 -97.43 7.21 46.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.326 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.451 ' CB ' ' H ' ' A' ' 41' ' ' GLY . 0.3 OUTLIER -103.34 163.76 12.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.897 HD13 ' HA3' ' A' ' 74' ' ' GLY . 4.7 tp -97.45 151.87 19.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.608 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 5.1 tt0 -89.32 30.85 0.94 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.278 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.802 ' O ' ' CH2' ' A' ' 40' ' ' TRP . 16.1 m -63.87 160.16 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.316 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -114.26 156.18 44.65 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.677 ' CA ' HG22 ' A' ' 35' ' ' ILE . 18.2 Cg_endo -74.97 129.09 12.04 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.53 1.806 . . . . 0.0 111.038 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 32' ' ' THR . . . 100.61 12.28 38.49 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.501 1.126 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.62 ' O ' HG23 ' A' ' 31' ' ' VAL . 7.4 tp10 -109.13 171.95 7.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 0.787 . . . . 0.0 110.333 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 29.6 t -110.99 131.15 55.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.992 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 1.043 HD23 ' O ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -140.02 154.48 47.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 109.312 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.852 ' CG ' HG21 ' A' ' 25' ' ' VAL . 0.4 OUTLIER -82.1 134.89 35.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.126 . . . . 0.0 110.29 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 1.148 HG11 ' CE2' ' A' ' 27' ' ' TYR . 2.4 t -104.62 128.43 58.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.581 1.176 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.97 HG22 ' H ' ' A' ' 57' ' ' GLN . 4.9 mt -92.98 -137.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.97 ' H ' HG22 ' A' ' 56' ' ' ILE . 12.1 tt0 -94.09 156.19 16.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 110.297 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.64 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 1.4 p -67.59 121.08 15.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.397 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.468 ' HB ' ' HB3' ' A' ' 63' ' ' LYS . 1.2 m -54.51 -74.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.365 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.407 ' CG ' ' N ' ' A' ' 61' ' ' ASP . 8.1 t0 -104.82 -91.91 0.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.407 ' N ' ' CG ' ' A' ' 60' ' ' ASP . 0.3 OUTLIER -117.88 -57.29 2.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.335 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.445 ' CG2' ' HG2' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -117.83 68.66 0.77 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 110.417 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.64 ' O ' ' HA ' ' A' ' 58' ' ' THR . 41.6 tttt -154.71 130.98 10.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.888 HG12 ' OH ' ' A' ' 27' ' ' TYR . 3.5 m -119.66 128.23 75.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.768 ' CD2' HD12 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -88.09 128.99 35.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.608 ' HB2' HD11 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -91.08 156.7 17.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 108.314 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.677 ' HG3' ' CD2' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -137.62 136.88 37.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 110.285 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.534 ' ND2' ' O ' ' A' ' 72' ' ' LYS . 0.8 OUTLIER -122.48 138.85 54.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.316 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -58.82 -8.89 1.5 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 110.281 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.412 ' H ' ' C ' ' A' ' 68' ' ' ASN . 2.7 tp10 -63.25 -7.16 5.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.276 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.66 11.22 71.54 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.514 1.134 . . . . 0.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.534 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 0.0 OUTLIER -124.33 156.66 36.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 0.762 . . . . 0.0 109.259 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.857 ' CE2' HD13 ' A' ' 23' ' ' ILE . 3.6 m-85 -121.25 168.31 11.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 111.004 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.897 ' HA3' HD13 ' A' ' 45' ' ' LEU . . . -156.95 157.66 28.19 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.443 1.089 . . . . 0.0 111.018 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.898 ' CZ ' ' CE2' ' A' ' 17' ' ' PHE . 3.4 m-85 -104.66 149.84 25.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 0.752 . . . . 0.0 111.033 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.737 ' CG1' HD12 ' A' ' 81' ' ' LEU . 2.1 t -143.22 125.9 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.165 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.446 ' HA ' HD23 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -75.65 138.01 41.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.445 ' HG2' ' CG2' ' A' ' 62' ' ' THR . 0.0 OUTLIER -55.93 -18.38 8.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.1 t -48.06 -57.76 5.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.028 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.77 ' CE1' ' CG2' ' A' ' 36' ' ' THR . 13.8 p90 -115.02 82.78 1.8 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 111.039 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.814 HD23 ' H ' ' A' ' 82' ' ' ALA . 0.3 OUTLIER -166.46 174.08 9.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.814 ' H ' HD23 ' A' ' 81' ' ' LEU . . . -98.68 165.76 11.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.449 ' O ' ' OG1' ' A' ' 29' ' ' THR . 1.1 m-20 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.17 -13.02 56.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.35 -38.2 88.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -62.04 -36.69 82.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.296 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -33.23 75.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.31 -40.76 77.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.88 ' CE1' ' CD2' ' A' ' 17' ' ' PHE . 1.1 t80 -67.17 -52.31 42.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.158 . . . . 0.0 110.995 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.41 ' N ' ' CD2' ' A' ' 13' ' ' PHE . 19.6 ttm180 -59.88 -28.66 67.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 110.289 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.44 ' CE ' ' HD2' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -54.59 -59.0 5.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.258 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.48 ' HG2' ' CD ' ' A' ' 43' ' ' ARG . 0.2 OUTLIER -84.41 -31.65 24.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 1.194 ' O ' ' N ' ' A' ' 19' ' ' TYR . 15.3 m-85 -87.95 29.92 0.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -34.8 6.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 1.194 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -65.15 121.81 15.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 111.012 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -100.48 97.93 8.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.7 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.86 -169.67 15.81 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.468 1.105 . . . . 0.0 110.975 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -102.85 92.78 4.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 0.765 . . . . 0.0 110.298 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.737 HD11 ' CZ ' ' A' ' 13' ' ' PHE . 0.2 OUTLIER -69.02 107.51 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.23 116.82 3.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.09 . . . . 0.0 110.302 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.996 HG11 ' HG2' ' A' ' 54' ' ' GLU . 48.9 t -65.53 99.91 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.418 1.074 . . . . 0.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -90.25 -48.53 7.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 1.127 ' CE2' HG11 ' A' ' 55' ' ' VAL . 31.3 p90 -127.29 86.62 2.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.806 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 68.7 p -71.97 110.1 6.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.01 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.553 HG21 ' CD2' ' A' ' 81' ' ' LEU . 0.6 OUTLIER -88.9 160.88 16.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 110.395 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.429 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -99.84 137.3 38.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 0.0 109.275 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.652 ' CG1' HD12 ' A' ' 35' ' ' ILE . 1.7 t -72.56 122.16 24.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.858 HG23 ' H ' ' A' ' 34' ' ' SER . 10.6 t -76.36 178.57 6.43 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.472 1.107 . . . . 0.0 110.356 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.498 ' HA ' ' HB2' ' A' ' 49' ' ' PRO . 11.4 t -80.64 -16.18 54.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.422 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.858 ' H ' HG23 ' A' ' 32' ' ' THR . 3.3 t -95.26 13.44 25.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.138 . . . . 0.0 110.013 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.692 HG22 ' CA ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -70.6 171.73 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.861 HG23 ' CZ3' ' A' ' 40' ' ' TRP . 2.1 t -70.0 117.93 12.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.393 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.99 -27.74 5.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.008 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.438 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 6.2 ptpp? -104.1 -48.03 3.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.573 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -67.74 124.11 22.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.861 ' CZ3' HG23 ' A' ' 36' ' ' THR . 7.1 m95 -143.93 131.53 21.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 108.023 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.46 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -119.39 159.96 14.51 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.493 1.121 . . . . 0.0 110.932 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.6 p -56.69 -36.34 69.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.772 . . . . 0.0 110.398 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.665 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 4.1 mtm105 -96.5 7.48 46.41 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.125 . . . . 0.0 110.323 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.46 ' CB ' ' H ' ' A' ' 41' ' ' GLY . 0.4 OUTLIER -104.2 163.13 12.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.864 HD23 ' CG1' ' A' ' 47' ' ' VAL . 2.8 tp -98.21 153.78 18.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.601 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 5.3 tt0 -89.27 31.39 0.9 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 110.321 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.864 ' CG1' HD23 ' A' ' 45' ' ' LEU . 25.3 m -63.94 160.54 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.27 155.69 46.59 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.692 ' CA ' HG22 ' A' ' 35' ' ' ILE . 18.3 Cg_endo -74.98 126.01 9.71 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.472 1.775 . . . . 0.0 111.02 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 32' ' ' THR . . . 100.47 16.52 26.75 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.509 1.13 . . . . 0.0 110.964 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.605 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.6 OUTLIER -112.56 172.11 7.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 0.758 . . . . 0.0 110.312 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.2 p -104.9 130.88 52.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.955 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.946 ' C ' HD12 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -140.77 146.38 37.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.303 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.996 ' HG2' HG11 ' A' ' 25' ' ' VAL . 3.6 mt-10 -78.45 129.15 34.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 110.294 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 1.127 HG11 ' CE2' ' A' ' 27' ' ' TYR . 2.9 t -99.09 127.43 51.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.94 HG22 ' H ' ' A' ' 57' ' ' GLN . 2.1 mt -93.35 -138.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.94 ' H ' HG22 ' A' ' 56' ' ' ILE . 32.0 mm-40 -94.58 155.65 16.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.32 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.575 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 4.8 p -67.0 120.91 14.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.436 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.519 ' HB ' ' CG ' ' A' ' 63' ' ' LYS . 1.1 m -53.47 -75.38 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.142 . . . . 0.0 110.402 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.476 ' N ' HG22 ' A' ' 59' ' ' THR . 4.2 t0 -105.47 -91.07 0.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.351 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.422 ' N ' ' CG ' ' A' ' 60' ' ' ASP . 13.7 m-20 -117.16 -57.69 2.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.252 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.502 ' CG2' ' HG3' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -118.84 69.45 0.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.364 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.575 ' O ' ' HA ' ' A' ' 58' ' ' THR . 9.8 tppt? -152.54 130.54 11.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.15 . . . . 0.0 109.351 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.854 HG23 HD13 ' A' ' 81' ' ' LEU . 0.1 OUTLIER -117.9 126.82 75.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 1.031 HD12 ' O ' ' A' ' 74' ' ' GLY . 1.5 tp -87.78 128.26 35.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.868 ' SG ' HD13 ' A' ' 53' ' ' LEU . 1.7 t -89.68 155.57 19.13 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.496 1.122 . . . . 0.0 108.307 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.685 ' HG3' ' CD2' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -137.27 136.54 38.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 72' ' ' LYS . 0.7 OUTLIER -121.73 137.55 54.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.163 . . . . 0.0 109.295 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.29 -8.69 1.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.322 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.427 ' H ' ' C ' ' A' ' 68' ' ' ASN . 2.1 tp10 -63.19 -6.44 4.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 110.342 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 87.13 10.74 70.99 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.521 1.138 . . . . 0.0 111.024 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.496 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 15.9 tttt -124.23 156.69 36.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 0.772 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.737 ' HB2' ' CD1' ' A' ' 13' ' ' PHE . 4.3 m-85 -120.62 168.66 11.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 111.043 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 1.031 ' O ' HD12 ' A' ' 65' ' ' LEU . . . -157.77 159.43 29.89 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.509 1.131 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.891 ' CE2' ' CE2' ' A' ' 17' ' ' PHE . 9.2 m-85 -103.83 151.75 22.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 0.766 . . . . 0.0 111.044 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.707 ' CG1' HD12 ' A' ' 81' ' ' LEU . 1.5 t -143.04 126.59 14.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.574 HD22 ' CD ' ' A' ' 78' ' ' ARG . 0.0 OUTLIER -74.03 136.35 43.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.574 ' CD ' HD22 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -55.58 -19.34 9.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.289 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 30.5 t -47.79 -58.13 4.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.122 . . . . 0.0 110.006 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.746 ' CE1' ' CG2' ' A' ' 36' ' ' THR . 11.3 p90 -114.95 84.51 2.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 111.0 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.972 HD23 ' H ' ' A' ' 82' ' ' ALA . 0.4 OUTLIER -167.48 174.95 7.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 109.251 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.972 ' H ' HD23 ' A' ' 81' ' ' LEU . . . -79.42 172.27 14.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.247 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 109.345 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -82.24 -15.2 53.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.403 ' CB ' ' HG3' ' A' ' 72' ' ' LYS . 1.3 tp10 -63.73 -25.18 68.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.329 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -61.04 -39.9 91.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.095 . . . . 0.0 110.275 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.0 mttm -65.72 -30.81 71.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.406 ' O ' ' HB3' ' A' ' 15' ' ' LYS . 3.8 t70 -76.36 -32.4 58.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.971 ' CE1' ' CD2' ' A' ' 17' ' ' PHE . 33.5 t80 -65.58 -52.83 49.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 111.017 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -59.95 -29.32 68.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.306 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.406 ' HB3' ' O ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -54.44 -59.35 4.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.475 ' HG2' ' CD ' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -84.6 -34.32 23.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 0.0 109.306 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 1.177 ' O ' ' N ' ' A' ' 19' ' ' TYR . 9.2 m-85 -87.95 27.46 1.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 111.031 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -36.31 8.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 1.177 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -63.23 122.13 15.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.994 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -101.13 97.87 8.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.694 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -147.97 -169.81 15.42 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.502 1.127 . . . . 0.0 111.052 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.53 91.7 4.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 0.753 . . . . 0.0 110.263 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.783 HD13 ' CE2' ' A' ' 73' ' ' TYR . 0.2 OUTLIER -66.92 109.27 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.155 . . . . 0.0 109.321 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.476 ' CA ' HH22 ' A' ' 67' ' ' ARG . 0.0 OUTLIER -152.4 116.24 4.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.143 . . . . 0.0 110.28 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.977 HG11 ' HG2' ' A' ' 54' ' ' GLU . 25.7 t -65.9 100.59 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.53 -48.67 6.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 1.164 ' CE2' HG11 ' A' ' 55' ' ' VAL . 29.7 p90 -128.7 88.41 2.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.978 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.753 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 4.0 p -72.25 111.21 7.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.003 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.913 HG21 HD11 ' A' ' 81' ' ' LEU . 1.3 t -88.64 160.76 17.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 110.411 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.818 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 11.1 tmtt? -100.03 138.73 36.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 51' ' ' GLU . 2.1 t -70.57 115.02 9.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.879 HG22 ' H ' ' A' ' 34' ' ' SER . 1.2 m -74.17 136.06 42.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.389 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.561 ' O ' ' HB2' ' A' ' 49' ' ' PRO . 14.6 t -44.53 -17.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.408 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.879 ' H ' HG22 ' A' ' 32' ' ' THR . 0.1 OUTLIER -91.26 13.39 17.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.988 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.676 HG22 ' CA ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -71.52 173.54 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.883 HG23 ' CZ3' ' A' ' 40' ' ' TRP . 1.6 t -71.48 119.66 15.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.436 1.085 . . . . 0.0 110.389 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.437 ' HB3' ' CD ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER -118.19 -27.88 5.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.959 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.444 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 5.0 ptpp? -104.68 -48.07 3.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.577 ' O ' ' OG1' ' A' ' 36' ' ' THR . 0.0 OUTLIER -67.58 124.68 23.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.229 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.883 ' CZ3' HG23 ' A' ' 36' ' ' THR . 6.8 m95 -144.34 128.83 18.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 108.006 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.456 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -118.13 159.77 14.12 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.528 1.142 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 29.4 p -56.6 -36.0 68.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 0.786 . . . . 0.0 110.441 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.675 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 4.0 mtm180 -95.93 6.91 47.75 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.544 1.152 . . . . 0.0 110.305 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.456 ' CB ' ' H ' ' A' ' 41' ' ' GLY . 0.2 OUTLIER -104.37 162.43 13.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.138 . . . . 0.0 109.264 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 1.057 HD23 ' CG1' ' A' ' 47' ' ' VAL . 5.2 tp -97.98 152.72 18.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.143 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.608 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 5.2 tt0 -88.7 31.16 0.85 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.271 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 1.057 ' CG1' HD23 ' A' ' 45' ' ' LEU . 22.0 m -64.4 160.75 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.47 153.62 44.83 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.676 ' CA ' HG22 ' A' ' 35' ' ' ILE . 18.2 Cg_endo -75.04 127.94 11.06 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.529 1.805 . . . . 0.0 110.973 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.43 11.43 44.81 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.496 1.122 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.708 ' O ' HG23 ' A' ' 31' ' ' VAL . 7.0 tp10 -106.41 170.83 7.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.551 0.795 . . . . 0.0 110.321 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.22 131.06 50.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.976 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.929 ' C ' HD12 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -140.51 145.93 37.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.977 ' HG2' HG11 ' A' ' 25' ' ' VAL . 4.3 mt-10 -78.85 131.64 36.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.27 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 1.164 HG11 ' CE2' ' A' ' 27' ' ' TYR . 2.5 t -100.29 126.26 53.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.429 1.08 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.945 HG22 ' H ' ' A' ' 57' ' ' GLN . 2.6 mt -92.93 -136.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.426 1.079 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.945 ' H ' HG22 ' A' ' 56' ' ' ILE . 33.4 mm-40 -93.33 153.65 18.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.287 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.599 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 1.9 p -66.55 120.64 13.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.394 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.71 HG21 ' HD3' ' A' ' 63' ' ' LYS . 1.2 m -54.1 -74.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.404 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.43 ' CG ' ' N ' ' A' ' 61' ' ' ASP . 3.8 t70 -105.16 -91.23 0.39 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.43 ' N ' ' CG ' ' A' ' 60' ' ' ASP . 85.2 m-20 -118.0 -57.66 2.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.14 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.34 68.76 0.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.408 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.71 ' HD3' HG21 ' A' ' 59' ' ' THR . 24.8 tttp -154.75 130.77 10.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.662 HG22 HD22 ' A' ' 81' ' ' LEU . 32.0 m -118.45 131.67 70.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.685 ' CD2' HD12 ' A' ' 56' ' ' ILE . 0.6 OUTLIER -86.31 126.91 34.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.797 ' SG ' HD13 ' A' ' 53' ' ' LEU . 1.6 t -88.77 155.84 19.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 108.288 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.692 ' NH2' HG23 ' A' ' 25' ' ' VAL . 4.2 ttm180 -137.65 146.38 43.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.282 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.668 ' OD1' HD21 ' A' ' 45' ' ' LEU . 5.9 m120 -117.15 134.78 54.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -54.88 -17.43 3.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.328 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -79.06 -4.18 48.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 88.84 23.54 35.38 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.547 1.154 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.403 ' HG3' ' CB ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -110.53 123.28 49.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 0.778 . . . . 0.0 109.279 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.783 ' CE2' HD13 ' A' ' 23' ' ' ILE . 24.0 m-85 -104.0 156.27 18.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 111.034 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.856 ' HA3' HD13 ' A' ' 45' ' ' LEU . . . -156.75 160.26 30.17 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.893 ' CZ ' ' CE2' ' A' ' 17' ' ' PHE . 2.7 m-85 -102.99 149.96 24.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 0.776 . . . . 0.0 110.983 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.2 t -139.95 125.14 20.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.5 ' CD2' ' HD3' ' A' ' 78' ' ' ARG . 0.1 OUTLIER -78.26 141.81 38.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.565 ' HA ' HD23 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -57.17 -20.0 23.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 110.251 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.0 t -50.58 -60.18 3.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 110.01 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.754 ' CE1' ' CG2' ' A' ' 36' ' ' THR . 17.6 p90 -116.54 84.12 2.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.976 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.913 HD11 HG21 ' A' ' 29' ' ' THR . 0.1 OUTLIER -166.6 174.79 8.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.871 ' H ' HD12 ' A' ' 81' ' ' LEU . . . -79.39 173.52 12.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.438 1.086 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.8 mmtm -76.49 -29.64 56.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.24 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.66 -34.63 78.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -68.47 -30.5 69.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 110.272 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.462 ' HE2' HH21 ' A' ' 14' ' ' ARG . 0.0 OUTLIER -59.6 -33.0 70.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.97 -43.05 99.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.822 ' CE2' ' CD2' ' A' ' 17' ' ' PHE . 0.6 OUTLIER -67.74 -52.15 40.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 110.957 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.472 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 9.3 ttp180 -60.06 -28.62 67.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.148 . . . . 0.0 110.353 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.02 -59.15 5.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.444 ' HG2' ' CD ' ' A' ' 43' ' ' ARG . 11.3 tptp -84.63 -32.21 23.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 1.185 ' O ' ' N ' ' A' ' 19' ' ' TYR . 9.0 m-85 -87.33 29.7 0.84 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 111.002 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -35.49 7.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 1.185 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -63.88 121.59 14.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 111.008 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -99.97 98.08 8.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.698 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.67 -169.86 15.89 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.512 1.132 . . . . 0.0 110.975 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -103.22 92.22 4.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 0.754 . . . . 0.0 110.334 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.967 HD13 ' CE2' ' A' ' 73' ' ' TYR . 0.2 OUTLIER -67.7 109.3 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -153.02 116.06 4.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 110.272 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.948 HG11 ' HG2' ' A' ' 54' ' ' GLU . 63.4 t -66.39 99.81 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.64 -47.6 7.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 1.088 ' CE2' HG11 ' A' ' 55' ' ' VAL . 30.5 p90 -125.86 89.53 3.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.754 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 95.0 p -71.95 110.59 6.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.035 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.923 HG21 HD11 ' A' ' 81' ' ' LEU . 1.3 t -89.94 159.38 16.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.411 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.879 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -103.52 137.13 42.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.629 ' CG1' HG21 ' A' ' 35' ' ' ILE . 1.7 t -71.22 121.28 20.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.78 HG23 ' H ' ' A' ' 34' ' ' SER . 13.9 t -75.46 178.46 5.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.416 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.547 ' HA ' ' HB2' ' A' ' 49' ' ' PRO . 2.7 t -80.77 -15.81 55.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.44 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.78 ' H ' HG23 ' A' ' 32' ' ' THR . 8.1 t -96.07 13.67 26.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.011 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.67 HG22 ' CB ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -70.41 170.65 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.849 HG23 ' CZ3' ' A' ' 40' ' ' TRP . 1.7 t -70.33 117.85 12.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.433 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.84 -28.55 5.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.977 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.442 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 0.6 OUTLIER -104.28 -48.07 3.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.569 ' O ' ' OG1' ' A' ' 36' ' ' THR . 0.0 OUTLIER -67.91 125.15 25.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.274 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.849 ' CZ3' HG23 ' A' ' 36' ' ' THR . 7.4 m95 -144.17 131.05 20.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 107.972 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.461 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -118.06 159.87 14.06 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 34.0 p -56.53 -35.69 68.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 0.799 . . . . 0.0 110.399 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.685 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 5.9 mtm180 -95.97 6.62 48.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.331 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.461 ' CB ' ' H ' ' A' ' 41' ' ' GLY . 0.3 OUTLIER -104.41 162.22 13.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.891 HD13 ' HA3' ' A' ' 74' ' ' GLY . 4.3 tp -98.88 157.24 16.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.256 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.593 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 5.5 tt0 -89.35 31.5 0.9 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.789 ' O ' ' CH2' ' A' ' 40' ' ' TRP . 21.5 m -63.65 160.88 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.95 155.6 50.94 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.67 ' CB ' HG22 ' A' ' 35' ' ' ILE . 18.1 Cg_endo -75.04 130.99 13.73 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.531 1.806 . . . . 0.0 110.937 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.6 6.45 52.76 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.456 1.098 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.57 ' O ' HG23 ' A' ' 31' ' ' VAL . 5.6 tt0 -100.28 172.02 7.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 0.782 . . . . 0.0 110.29 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -122.61 128.96 51.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.984 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 1.089 HD22 ' H ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -141.92 154.97 45.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 109.264 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 1.089 ' H ' HD22 ' A' ' 53' ' ' LEU . 2.9 mt-10 -74.71 132.49 41.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 110.306 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 1.088 HG11 ' CE2' ' A' ' 27' ' ' TYR . 2.2 t -101.34 134.17 42.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.944 HG22 ' H ' ' A' ' 57' ' ' GLN . 3.1 mt -92.97 -137.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.944 ' H ' HG22 ' A' ' 56' ' ' ILE . 26.2 mm100 -95.27 157.24 15.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.646 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 2.8 p -66.98 119.42 11.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.386 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.537 HG22 ' N ' ' A' ' 60' ' ' ASP . 0.9 OUTLIER -53.92 -73.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 110.39 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.537 ' N ' HG22 ' A' ' 59' ' ' THR . 3.2 t70 -104.4 -91.29 0.38 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.44 ' N ' ' CG ' ' A' ' 60' ' ' ASP . 4.3 m-20 -117.4 -58.07 2.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.16 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.599 HG21 ' HD2' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -119.21 69.42 0.82 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 110.381 -179.928 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.646 ' O ' ' HA ' ' A' ' 58' ' ' THR . 5.8 ttpt -154.66 130.49 10.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.307 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.667 HG22 HD22 ' A' ' 81' ' ' LEU . 31.5 m -116.93 132.31 67.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.914 HD12 ' O ' ' A' ' 74' ' ' GLY . 13.5 tp -87.72 128.19 35.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.25 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.858 ' SG ' HD22 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -90.84 150.71 21.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 108.318 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.875 ' H ' HD21 ' A' ' 53' ' ' LEU . 1.2 ttt180 -139.31 132.24 29.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.265 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.527 ' ND2' ' O ' ' A' ' 72' ' ' LYS . 0.5 OUTLIER -121.4 138.42 54.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -54.99 -11.57 0.67 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 110.342 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.428 ' N ' ' C ' ' A' ' 68' ' ' ASN . 1.2 tt0 -59.75 -9.04 2.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 110.296 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 87.07 10.87 70.89 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.599 ' CD ' HD11 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -124.74 151.73 44.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 0.742 . . . . 0.0 109.32 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.967 ' CE2' HD13 ' A' ' 23' ' ' ILE . 7.4 m-85 -114.37 170.59 8.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.096 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.914 ' O ' HD12 ' A' ' 65' ' ' LEU . . . -157.35 158.03 28.6 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.499 1.125 . . . . 0.0 111.008 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.888 ' CD2' ' CZ ' ' A' ' 17' ' ' PHE . 1.6 m-85 -105.9 152.1 23.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.775 . . . . 0.0 110.988 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 t -142.19 125.71 15.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 77' ' ' LEU . 0.1 OUTLIER -80.46 142.29 34.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.599 ' HD2' HG21 ' A' ' 62' ' ' THR . 0.0 OUTLIER -58.21 -21.14 46.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.266 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.465 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 0.5 OUTLIER -50.06 -59.69 3.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.988 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.772 ' CE1' ' CG2' ' A' ' 36' ' ' THR . 15.6 p90 -117.57 83.26 1.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.923 HD11 HG21 ' A' ' 29' ' ' THR . 0.1 OUTLIER -166.14 174.56 9.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.879 ' HB2' ' O ' ' A' ' 30' ' ' LYS . . . -76.5 173.39 11.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.328 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.46 -14.33 52.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -61.66 -33.95 74.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.271 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.44 ' HG2' ' NH2' ' A' ' 14' ' ' ARG . 6.0 tt0 -64.48 -31.98 73.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 110.294 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.667 ' CE ' HH21 ' A' ' 14' ' ' ARG . 8.9 mmpt? -68.16 -35.46 78.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.733 ' O ' ' HG3' ' A' ' 15' ' ' LYS . 3.2 t70 -59.77 -38.51 82.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.825 ' CE2' ' CD2' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -83.02 -49.98 9.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 111.03 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.667 HH21 ' CE ' ' A' ' 11' ' ' LYS . 4.3 ttp-105 -58.86 -35.65 73.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 110.331 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.733 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -51.67 -57.6 8.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.473 ' CG ' ' HD3' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -83.05 -33.87 26.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.366 179.926 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 1.19 ' O ' ' N ' ' A' ' 19' ' ' TYR . 7.5 m-85 -87.48 29.81 0.85 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.963 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -35.2 7.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 1.19 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -64.3 121.84 15.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 110.979 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -99.55 97.9 8.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.115 . . . . 0.0 109.271 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.698 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.69 -169.72 15.76 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.551 1.157 . . . . 0.0 110.968 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -102.26 92.77 4.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 0.75 . . . . 0.0 110.283 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.852 HG12 HD13 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -68.18 108.53 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.08 116.08 4.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.292 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.933 HG11 ' CG ' ' A' ' 54' ' ' GLU . 60.8 t -66.0 100.19 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -90.62 -49.2 6.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.273 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 1.137 ' CE2' HG11 ' A' ' 55' ' ' VAL . 31.4 p90 -126.95 88.13 2.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.09 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.724 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 70.1 p -71.74 110.89 6.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.981 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.966 HG21 HD11 ' A' ' 81' ' ' LEU . 2.6 t -84.68 160.14 20.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 110.367 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.868 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 0.3 OUTLIER -101.72 135.08 43.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.641 ' CG1' HG21 ' A' ' 35' ' ' ILE . 1.7 t -72.45 120.89 21.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.254 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.897 HG23 ' H ' ' A' ' 34' ' ' SER . 8.2 t -75.91 178.88 5.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.384 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.498 ' HA ' ' HB2' ' A' ' 49' ' ' PRO . 5.3 t -80.8 -15.64 55.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.437 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.897 ' H ' HG23 ' A' ' 32' ' ' THR . 11.4 t -95.88 13.39 26.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.005 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.656 HG22 ' CA ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -70.47 171.32 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.875 ' O ' ' CH2' ' A' ' 40' ' ' TRP . 1.6 t -70.42 117.24 11.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 110.4 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.77 -27.52 5.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.012 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.453 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 1.1 ptpt -104.46 -48.82 3.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.57 ' O ' ' OG1' ' A' ' 36' ' ' THR . 0.0 OUTLIER -68.06 125.47 26.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.875 ' CH2' ' O ' ' A' ' 36' ' ' THR . 7.3 m95 -144.32 130.57 19.69 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.015 -1.105 . . . . 0.0 108.015 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.468 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -118.61 159.6 14.31 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.543 1.152 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 10.7 t -56.37 -35.69 67.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 0.76 . . . . 0.0 110.364 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.669 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 6.7 mtm105 -96.37 7.29 46.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.16 . . . . 0.0 110.278 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.468 ' CB ' ' H ' ' A' ' 41' ' ' GLY . 0.2 OUTLIER -104.86 162.31 13.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.948 HD13 ' HA3' ' A' ' 74' ' ' GLY . 5.0 tp -98.02 154.77 17.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.592 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 6.0 tt0 -89.11 30.54 0.95 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 110.323 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.787 ' O ' ' CH2' ' A' ' 40' ' ' TRP . 19.4 m -63.77 160.04 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.8 mptt -114.68 155.46 46.12 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.656 ' CA ' HG22 ' A' ' 35' ' ' ILE . 18.1 Cg_endo -74.98 126.94 10.31 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.496 1.788 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 32' ' ' THR . . . 101.04 11.45 39.66 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.484 1.115 . . . . 0.0 111.018 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.624 ' O ' HG23 ' A' ' 31' ' ' VAL . 2.8 mp0 -106.87 172.05 7.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 0.753 . . . . 0.0 110.29 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 p -113.17 131.36 55.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.035 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 1.014 HD23 ' O ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -140.47 157.21 45.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.933 ' CG ' HG11 ' A' ' 25' ' ' VAL . 0.9 OUTLIER -81.11 135.31 35.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.338 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 1.137 HG11 ' CE2' ' A' ' 27' ' ' TYR . 2.2 t -104.97 127.91 59.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.968 HG22 ' H ' ' A' ' 57' ' ' GLN . 5.1 mt -93.19 -137.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.252 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.968 ' H ' HG22 ' A' ' 56' ' ' ILE . 28.9 mm100 -93.71 155.2 17.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 110.279 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.64 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 3.0 p -67.3 121.42 15.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 110.415 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.447 ' OG1' ' CE1' ' A' ' 75' ' ' TYR . 1.2 m -54.51 -74.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.41 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.404 ' CG ' ' N ' ' A' ' 61' ' ' ASP . 5.2 t70 -105.47 -91.09 0.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.404 ' N ' ' CG ' ' A' ' 60' ' ' ASP . 4.0 m-20 -117.84 -57.27 2.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.484 HG21 ' HD2' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -118.11 68.83 0.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.427 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.64 ' O ' ' HA ' ' A' ' 58' ' ' THR . 0.0 OUTLIER -155.12 130.91 9.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.272 -179.93 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.653 HG22 HD22 ' A' ' 81' ' ' LEU . 35.1 m -120.04 129.49 75.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.765 ' CD2' HD12 ' A' ' 56' ' ' ILE . 0.2 OUTLIER -87.97 129.13 35.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.633 ' HB2' HD11 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -90.32 155.68 18.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 108.344 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.684 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 16.6 ttp85 -137.85 134.95 35.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.318 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.516 ' ND2' ' O ' ' A' ' 72' ' ' LYS . 0.5 OUTLIER -122.12 138.28 54.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -55.91 -10.79 0.84 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.286 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.423 ' H ' ' C ' ' A' ' 68' ' ' ASN . 2.9 tp10 -63.03 -7.96 6.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 110.287 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.23 10.46 74.45 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.482 1.114 . . . . 0.0 110.998 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.516 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 0.7 OUTLIER -120.1 156.79 30.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 0.756 . . . . 0.0 109.264 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.725 ' HB2' ' CD2' ' A' ' 13' ' ' PHE . 4.4 m-85 -123.49 167.65 13.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 111.008 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.948 ' HA3' HD13 ' A' ' 45' ' ' LEU . . . -157.21 158.02 28.55 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.564 1.165 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.9 ' CZ ' ' CE2' ' A' ' 17' ' ' PHE . 2.3 m-85 -104.57 153.61 20.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 0.737 . . . . 0.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.6 t -142.87 126.03 13.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 77' ' ' LEU . 0.1 OUTLIER -77.89 140.46 39.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.254 -179.934 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.623 ' HA ' HD23 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -57.4 -20.04 27.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 110.287 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.449 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 13.6 t -50.14 -59.38 3.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 109.971 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.77 ' CE1' ' CG2' ' A' ' 36' ' ' THR . 17.9 p90 -117.01 83.99 2.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.57 1.169 . . . . 0.0 110.985 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.966 HD11 HG21 ' A' ' 29' ' ' THR . 0.1 OUTLIER -167.07 175.31 7.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.896 ' H ' HD12 ' A' ' 81' ' ' LEU . . . -78.95 172.52 13.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -13.66 37.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.85 -38.72 89.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 110.323 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.49 ' HG2' HH21 ' A' ' 14' ' ' ARG . 3.6 tt0 -68.71 -32.39 72.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 110.28 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.507 ' O ' ' CG ' ' A' ' 15' ' ' LYS . 0.8 OUTLIER -69.48 -34.77 74.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.253 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.726 ' O ' ' HG3' ' A' ' 15' ' ' LYS . 3.6 t70 -59.41 -39.07 82.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.829 ' CE2' ' CD2' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -82.51 -50.62 8.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 110.982 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.579 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 4.4 ttp180 -58.31 -36.63 73.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 110.358 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.726 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -51.81 -57.27 9.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.447 ' HA ' ' CE ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -82.51 -34.7 27.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 1.189 ' O ' ' N ' ' A' ' 19' ' ' TYR . 9.6 m-85 -87.3 29.86 0.83 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.965 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt -35.45 8.3 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 1.189 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -63.64 121.74 14.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 111.066 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -99.16 98.05 9.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.291 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.705 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.41 -169.73 15.6 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.524 1.14 . . . . 0.0 111.038 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -103.0 92.65 4.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 0.782 . . . . 0.0 110.29 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.687 HD13 ' CE2' ' A' ' 73' ' ' TYR . 0.2 OUTLIER -70.38 109.53 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.25 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.452 ' CA ' HH22 ' A' ' 67' ' ' ARG . 42.7 tpt85 -152.87 115.82 4.58 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 110.306 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.739 HG11 ' HG3' ' A' ' 54' ' ' GLU . 40.4 t -66.04 99.26 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.82 -48.46 6.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 1.153 ' CE2' HG11 ' A' ' 55' ' ' VAL . 28.5 p90 -128.19 87.73 2.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.702 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 77.5 p -72.28 109.27 5.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.576 1.172 . . . . 0.0 109.961 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.92 HG21 HD11 ' A' ' 81' ' ' LEU . 1.3 t -85.62 159.56 19.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 110.414 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.881 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 0.7 OUTLIER -101.82 136.86 40.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.645 ' CG1' HG21 ' A' ' 35' ' ' ILE . 1.7 t -70.72 121.72 21.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.783 HG23 ' H ' ' A' ' 34' ' ' SER . 11.1 t -76.06 178.84 6.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.425 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.493 ' HA ' ' HB2' ' A' ' 49' ' ' PRO . 12.1 t -80.31 -18.92 47.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.385 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.783 ' H ' HG23 ' A' ' 32' ' ' THR . 48.4 t -92.94 13.46 20.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.033 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.668 HG22 ' CA ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -70.79 171.58 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.854 HG23 ' CZ3' ' A' ' 40' ' ' TRP . 1.7 t -70.94 118.41 13.68 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.478 1.111 . . . . 0.0 110.385 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.93 -27.65 5.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.012 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.447 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 3.1 pttt -104.41 -48.33 3.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.561 ' O ' ' OG1' ' A' ' 36' ' ' THR . 0.0 OUTLIER -67.79 124.63 23.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.356 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.854 ' CZ3' HG23 ' A' ' 36' ' ' THR . 6.8 m95 -144.03 129.35 18.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 108.039 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.469 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -118.37 159.86 14.14 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.51 1.131 . . . . 0.0 110.979 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.7 t -56.61 -35.88 68.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 0.755 . . . . 0.0 110.423 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.676 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 11.1 mtm180 -96.31 7.12 47.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 0.0 110.313 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.469 ' CB ' ' H ' ' A' ' 41' ' ' GLY . 0.3 OUTLIER -104.19 163.23 12.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 1.033 HD23 ' CG1' ' A' ' 47' ' ' VAL . 7.4 tp -98.64 153.06 18.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.596 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 4.7 tt0 -88.45 30.76 0.86 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.557 1.161 . . . . 0.0 110.284 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 1.033 ' CG1' HD23 ' A' ' 45' ' ' LEU . 20.4 m -64.28 160.91 2.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.77 156.2 45.25 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.668 ' CA ' HG22 ' A' ' 35' ' ' ILE . 18.3 Cg_endo -75.02 124.88 8.94 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.517 1.798 . . . . 0.0 110.982 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 32' ' ' THR . . . 101.37 10.13 42.46 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.485 1.116 . . . . 0.0 110.969 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.597 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.4 OUTLIER -104.26 171.94 7.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 0.777 . . . . 0.0 110.259 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.8 p -108.72 131.75 54.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 110.009 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 1.097 HD23 ' O ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -141.14 152.24 44.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.289 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.739 ' HG3' HG11 ' A' ' 25' ' ' VAL . 1.4 mp0 -79.73 135.12 36.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.339 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 1.153 HG11 ' CE2' ' A' ' 27' ' ' TYR . 2.4 t -105.07 125.59 60.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.981 HG22 ' H ' ' A' ' 57' ' ' GLN . 4.2 mt -91.82 -136.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.981 ' H ' HG22 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -93.98 154.21 17.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 0.0 110.28 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.604 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 2.3 p -67.33 121.21 15.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 110.382 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.472 ' HB ' ' CG ' ' A' ' 63' ' ' LYS . 1.3 m -54.3 -75.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.412 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.445 ' OD2' ' N ' ' A' ' 61' ' ' ASP . 4.2 t70 -105.77 -91.56 0.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.445 ' N ' ' OD2' ' A' ' 60' ' ' ASP . 10.2 m-20 -117.37 -57.37 2.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.477 HG21 ' HD2' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -117.91 68.74 0.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.417 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.604 ' O ' ' HA ' ' A' ' 58' ' ' THR . 0.7 OUTLIER -155.17 130.12 9.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 109.281 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.649 HG22 HD22 ' A' ' 81' ' ' LEU . 34.8 m -119.47 129.59 75.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.655 ' CD2' HD12 ' A' ' 56' ' ' ILE . 0.4 OUTLIER -86.97 124.83 33.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.258 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.751 ' SG ' HD22 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -90.03 158.59 17.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 108.289 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.695 ' NH2' HG23 ' A' ' 25' ' ' VAL . 7.2 ttm180 -134.24 144.58 48.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.302 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.422 ' ND2' ' HB3' ' A' ' 70' ' ' GLU . 55.0 t30 -118.87 130.44 55.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.137 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -54.14 -16.62 2.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.321 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.422 ' HB3' ' ND2' ' A' ' 68' ' ' ASN . 28.9 tt0 -71.69 -5.52 34.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.296 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 87.77 15.34 61.61 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.526 1.141 . . . . 0.0 110.979 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 20.1 ttpt -117.27 123.61 47.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 0.751 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.687 ' CE2' HD13 ' A' ' 23' ' ' ILE . 5.1 m-85 -95.61 165.93 12.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 111.028 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.665 ' HA3' HD13 ' A' ' 45' ' ' LEU . . . -156.88 158.5 28.85 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.472 1.107 . . . . 0.0 110.963 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.853 ' CZ ' ' CE2' ' A' ' 17' ' ' PHE . 3.0 m-85 -104.6 152.3 22.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 0.744 . . . . 0.0 110.982 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.437 ' O ' ' CD ' ' A' ' 63' ' ' LYS . 2.4 t -142.66 125.79 14.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 77' ' ' LEU . 0.1 OUTLIER -78.4 141.93 37.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.602 ' HA ' HD23 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -57.33 -20.58 29.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.445 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -50.78 -60.11 3.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.961 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.756 ' CE1' ' CG2' ' A' ' 36' ' ' THR . 19.7 p90 -116.58 83.78 2.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 111.01 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.92 HD11 HG21 ' A' ' 29' ' ' THR . 0.1 OUTLIER -166.06 175.74 8.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.885 ' H ' HD12 ' A' ' 81' ' ' LEU . . . -78.76 173.12 12.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.328 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.3 ttpt -82.61 -15.66 51.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 109.282 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.466 ' HG2' ' CG ' ' A' ' 72' ' ' LYS . 3.9 tp10 -61.87 -33.51 74.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 110.332 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -62.3 -42.13 99.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.313 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.77 -38.65 73.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.341 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.434 ' O ' ' HB3' ' A' ' 15' ' ' LYS . 11.8 t70 -71.44 -32.41 68.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.934 ' CE1' ' CD2' ' A' ' 17' ' ' PHE . 23.7 t80 -65.23 -52.42 54.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.15 . . . . 0.0 110.942 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 -59.41 -29.72 67.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.304 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.434 ' HB3' ' O ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -53.85 -58.87 5.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.457 ' HG2' ' CD ' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -84.68 -33.66 23.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 1.196 ' O ' ' N ' ' A' ' 19' ' ' TYR . 23.1 m-85 -88.1 27.23 1.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -35.38 7.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 1.196 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -64.88 122.64 17.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 110.981 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -100.95 97.83 8.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.69 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.47 -169.85 15.75 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.535 1.147 . . . . 0.0 110.984 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 55.9 tt0 -102.23 92.74 4.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 0.764 . . . . 0.0 110.358 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.862 HG12 HD13 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -67.01 108.67 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -154.63 117.32 4.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.3 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.919 HG21 ' CG ' ' A' ' 54' ' ' GLU . 7.2 p -66.54 100.37 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -89.95 -49.4 6.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 1.151 ' CE2' HG11 ' A' ' 55' ' ' VAL . 30.2 p90 -126.94 86.63 2.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.965 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.703 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 56.0 p -72.02 109.96 6.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.009 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.871 HG21 HD11 ' A' ' 81' ' ' LEU . 2.1 t -86.71 161.35 18.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.413 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.864 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 4.0 tttm -98.86 136.75 38.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 109.347 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.686 HG23 ' O ' ' A' ' 51' ' ' GLU . 2.0 t -70.39 118.62 15.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.627 ' O ' ' HB ' ' A' ' 35' ' ' ILE . 92.4 m -74.55 137.07 42.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.401 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.573 ' O ' ' HB2' ' A' ' 49' ' ' PRO . 8.9 t -46.85 -14.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.405 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.504 ' N ' ' C ' ' A' ' 32' ' ' THR . 1.6 t -95.77 13.84 25.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.955 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.707 HG22 ' CA ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -70.87 173.45 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.9 HG23 ' CZ3' ' A' ' 40' ' ' TRP . 2.1 t -70.38 120.72 16.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.413 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.54 -27.72 5.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 109.961 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.433 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 1.2 pttt -104.09 -47.55 4.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.26 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.598 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -67.48 124.14 22.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.9 ' CZ3' HG23 ' A' ' 36' ' ' THR . 5.8 m95 -143.98 129.57 19.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 108.008 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.443 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -118.15 159.88 14.07 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.547 1.154 . . . . 0.0 111.002 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.9 t -56.93 -36.87 70.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.779 . . . . 0.0 110.39 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.634 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 5.2 mtm180 -96.33 7.06 47.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 110.279 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.443 ' CB ' ' H ' ' A' ' 41' ' ' GLY . 0.2 OUTLIER -104.03 162.73 12.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.253 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 1.07 HD23 ' CG1' ' A' ' 47' ' ' VAL . 7.8 tp -97.81 149.97 21.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.531 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 1.0 OUTLIER -88.2 31.2 0.81 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 110.278 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 1.07 ' CG1' HD23 ' A' ' 45' ' ' LEU . 29.3 m -64.12 161.16 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.128 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.65 154.85 43.78 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.707 ' CA ' HG22 ' A' ' 35' ' ' ILE . 18.2 Cg_endo -75.02 128.49 11.52 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.483 1.78 . . . . 0.0 110.966 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.19 12.61 41.82 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.452 1.095 . . . . 0.0 111.0 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.686 ' O ' HG23 ' A' ' 31' ' ' VAL . 1.7 mp0 -107.38 172.67 6.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 0.772 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.7 p -111.16 131.04 55.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.031 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 1.029 HD23 ' O ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -139.3 156.69 46.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.919 ' CG ' HG21 ' A' ' 25' ' ' VAL . 0.5 OUTLIER -81.79 133.12 35.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 110.305 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 1.151 HG11 ' CE2' ' A' ' 27' ' ' TYR . 2.3 t -103.46 126.54 57.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.325 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.985 HG22 ' H ' ' A' ' 57' ' ' GLN . 4.8 mt -92.15 -137.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.985 ' H ' HG22 ' A' ' 56' ' ' ILE . 29.9 mm-40 -94.59 155.03 17.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.304 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.62 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 6.6 p -67.53 122.48 18.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 110.425 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.48 ' HB ' ' CG ' ' A' ' 63' ' ' LYS . 1.3 m -55.34 -75.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.367 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.407 ' CG ' ' N ' ' A' ' 61' ' ' ASP . 4.7 t70 -105.72 -91.18 0.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.407 ' N ' ' CG ' ' A' ' 60' ' ' ASP . 6.6 m-20 -117.82 -57.05 2.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.42 HG22 ' CB ' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -117.52 68.3 0.75 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 110.415 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.62 ' O ' ' HA ' ' A' ' 58' ' ' THR . 0.1 OUTLIER -155.54 131.6 10.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 -179.918 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.71 ' O ' HG12 ' A' ' 76' ' ' VAL . 22.6 m -121.57 130.61 74.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.24 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.758 ' CD2' HD12 ' A' ' 56' ' ' ILE . 0.5 OUTLIER -87.81 124.47 33.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.573 1.171 . . . . 0.0 109.325 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.758 ' SG ' HD22 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -89.68 157.42 18.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 108.265 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.683 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 0.4 OUTLIER -134.67 145.83 48.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.319 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -118.63 130.77 56.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -54.2 -18.52 3.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.464 1.103 . . . . 0.0 110.261 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -73.23 -4.77 35.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 110.288 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 88.21 17.49 57.37 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.538 1.149 . . . . 0.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.466 ' CG ' ' HG2' ' A' ' 9' ' ' GLU . 9.2 ttpt -113.6 124.17 51.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 0.779 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.8 ' CE2' HD13 ' A' ' 23' ' ' ILE . 6.3 m-85 -101.72 161.0 13.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.995 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.574 ' HA3' HD13 ' A' ' 45' ' ' LEU . . . -156.6 159.55 29.59 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.539 1.149 . . . . 0.0 110.97 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.869 ' CZ ' ' CE2' ' A' ' 17' ' ' PHE . 2.4 m-85 -104.06 150.16 24.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.71 HG12 ' O ' ' A' ' 64' ' ' VAL . 1.3 p -138.66 125.21 25.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.416 HD23 ' H ' ' A' ' 78' ' ' ARG . 0.1 OUTLIER -77.65 141.89 39.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.608 ' HA ' HD23 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -56.96 -21.33 29.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.563 1.165 . . . . 0.0 110.3 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.429 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 27.7 t -50.31 -59.75 3.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 109.94 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.767 ' CE1' ' CG2' ' A' ' 36' ' ' THR . 20.6 p90 -116.46 84.2 2.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 111.042 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.952 HD12 ' H ' ' A' ' 82' ' ' ALA . 0.1 OUTLIER -166.05 174.48 9.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.952 ' H ' HD12 ' A' ' 81' ' ' LEU . . . -83.16 173.7 11.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.552 ' OD1' ' N ' ' A' ' 83' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.7 mttm -83.32 -12.04 57.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.0 -24.92 66.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.263 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -61.4 -41.65 97.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.346 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.7 mmtm -70.64 -33.77 71.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.448 ' O ' ' HB3' ' A' ' 15' ' ' LYS . 4.6 t70 -74.92 -31.53 61.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.968 ' CE2' ' CD2' ' A' ' 17' ' ' PHE . 1.6 t80 -62.56 -53.57 52.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 111.026 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.448 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 13.2 ptm180 -60.47 -29.21 68.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.306 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.448 ' HB3' ' O ' ' A' ' 12' ' ' ASP . 0.4 OUTLIER -54.49 -58.71 6.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.412 ' HG2' ' HD3' ' A' ' 43' ' ' ARG . 1.1 tttt -84.84 -30.67 24.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 1.219 ' O ' ' N ' ' A' ' 19' ' ' TYR . 6.5 m-85 -87.21 29.4 0.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 111.013 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -34.64 6.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 1.219 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -65.03 122.01 16.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.969 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -100.67 98.02 8.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.27 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.694 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.49 -169.89 15.81 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.526 1.141 . . . . 0.0 110.957 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -102.01 91.83 4.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 0.74 . . . . 0.0 110.337 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.814 HD13 ' CE2' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -66.31 108.66 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.429 ' H ' HG23 ' A' ' 56' ' ' ILE . 0.2 OUTLIER -154.41 146.37 23.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.335 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.997 HG11 ' CG ' ' A' ' 54' ' ' GLU . 32.7 t -95.5 99.48 9.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -90.79 -48.7 6.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 1.153 ' CE2' HG11 ' A' ' 55' ' ' VAL . 30.0 p90 -126.6 87.43 2.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.993 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.714 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 43.0 p -71.08 111.73 6.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.98 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.697 HG22 ' CG2' ' A' ' 55' ' ' VAL . 1.3 t -90.99 161.1 15.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 110.409 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.748 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 1.4 ttmm -99.86 138.17 37.31 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.705 HG23 ' O ' ' A' ' 51' ' ' GLU . 1.7 t -71.2 121.51 21.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.885 HG22 ' H ' ' A' ' 34' ' ' SER . 1.3 m -74.7 134.93 41.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.397 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.544 ' O ' ' HB2' ' A' ' 49' ' ' PRO . 8.8 t -46.13 -15.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.408 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.885 ' H ' HG22 ' A' ' 32' ' ' THR . 1.4 p -95.68 13.4 26.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.978 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.714 HG22 ' CA ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -71.08 172.92 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.942 HG23 ' CZ3' ' A' ' 40' ' ' TRP . 2.2 t -70.52 121.95 18.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.409 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.458 ' HB3' ' CD ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER -118.58 -27.76 5.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.948 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.431 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 5.3 ptpt -104.68 -47.5 4.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.35 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.589 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -67.7 125.08 25.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.942 ' CZ3' HG23 ' A' ' 36' ' ' THR . 5.7 m95 -144.05 134.37 24.49 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.508 ' H ' ' HB3' ' A' ' 44' ' ' ASP . . . -118.96 158.67 14.76 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.5 t -58.38 -36.55 73.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 110.46 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.625 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 1.1 mtm-85 -95.0 6.81 48.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.1 . . . . 0.0 110.316 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.508 ' HB3' ' H ' ' A' ' 41' ' ' GLY . 0.0 OUTLIER -105.79 163.36 12.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.908 HD13 ' HA3' ' A' ' 74' ' ' GLY . 4.0 tp -97.74 155.1 17.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.342 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.555 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 5.6 tt0 -88.26 33.09 0.74 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.557 1.161 . . . . 0.0 110.328 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.809 ' O ' ' CH2' ' A' ' 40' ' ' TRP . 27.6 m -62.92 161.5 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.87 152.96 48.07 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.316 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.714 ' CA ' HG22 ' A' ' 35' ' ' ILE . 18.3 Cg_endo -75.03 131.42 14.23 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.512 1.796 . . . . 0.0 110.98 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 95.29 9.81 57.66 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.446 1.091 . . . . 0.0 111.003 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.705 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -104.52 172.29 6.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 0.791 . . . . 0.0 110.307 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -113.34 129.86 56.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.026 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 1.059 HD23 ' O ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -140.42 157.09 46.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 0.0 109.341 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.997 ' CG ' HG11 ' A' ' 25' ' ' VAL . 0.4 OUTLIER -79.46 134.68 36.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.119 . . . . 0.0 110.273 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 1.153 HG11 ' CE2' ' A' ' 27' ' ' TYR . 2.3 t -103.28 126.65 57.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.997 HG22 ' H ' ' A' ' 57' ' ' GLN . 7.7 mt -93.21 -137.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.997 ' H ' HG22 ' A' ' 56' ' ' ILE . 13.2 tt0 -94.77 154.05 17.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.282 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.611 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 3.3 p -66.66 121.38 15.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.398 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.517 ' OG1' ' CE1' ' A' ' 75' ' ' TYR . 1.3 m -54.42 -75.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.395 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.427 ' CG ' ' N ' ' A' ' 61' ' ' ASP . 3.7 t70 -105.59 -91.25 0.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.163 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.427 ' N ' ' CG ' ' A' ' 60' ' ' ASP . 61.9 m-20 -117.68 -57.43 2.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.626 HG22 ' CB ' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -117.37 69.07 0.76 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 110.373 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.611 ' O ' ' HA ' ' A' ' 58' ' ' THR . 1.9 tppt? -156.38 130.35 8.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 1.001 ' O ' HG12 ' A' ' 76' ' ' VAL . 31.9 m -118.91 132.05 69.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.982 HD12 ' O ' ' A' ' 74' ' ' GLY . 16.1 tp -88.11 127.31 35.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.606 ' HB2' HD11 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -91.16 155.82 18.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.13 . . . . 0.0 108.309 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.677 ' HG3' ' CD2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -137.9 136.56 37.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.283 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.465 ' ND2' ' O ' ' A' ' 72' ' ' LYS . 0.3 OUTLIER -121.98 142.47 50.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 109.329 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.14 -13.57 0.87 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 110.256 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.413 ' N ' ' C ' ' A' ' 68' ' ' ASN . 2.0 tp10 -64.92 -7.24 10.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 85.0 -0.18 89.06 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.538 1.149 . . . . 0.0 110.988 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.48 ' HE3' HD11 ' A' ' 45' ' ' LEU . 3.4 ttpt -103.46 156.76 17.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 0.766 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.814 ' CE2' HD13 ' A' ' 23' ' ' ILE . 2.3 m-85 -124.99 165.74 17.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 110.968 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.982 ' O ' HD12 ' A' ' 65' ' ' LEU . . . -155.52 159.04 28.92 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.49 1.119 . . . . 0.0 110.979 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.855 ' CE2' ' CE2' ' A' ' 17' ' ' PHE . 3.5 m-85 -104.37 152.92 21.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 0.776 . . . . 0.0 111.03 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 1.001 HG12 ' O ' ' A' ' 64' ' ' VAL . 11.8 p -138.94 125.96 25.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.34 140.32 41.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.626 ' CB ' HG22 ' A' ' 62' ' ' THR . 0.0 OUTLIER -57.8 -20.72 37.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 110.319 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.463 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 12.2 t -50.78 -59.69 3.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.0 110.0 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.729 ' CE1' ' CG2' ' A' ' 36' ' ' THR . 10.6 p90 -117.04 83.57 2.0 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 111.017 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.814 HD12 ' H ' ' A' ' 82' ' ' ALA . 0.1 OUTLIER -166.01 174.72 9.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.814 ' H ' HD12 ' A' ' 81' ' ' LEU . . . -77.52 173.29 12.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.8 mtmt -62.37 -11.44 15.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 109.333 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -59.75 -25.4 64.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.285 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -61.18 -38.63 87.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.268 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.03 -29.66 66.77 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.776 ' O ' ' HG3' ' A' ' 15' ' ' LYS . 11.9 t70 -61.42 -31.54 71.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.887 ' CE2' ' CD2' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -81.45 -49.56 10.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 111.022 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.576 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 1.8 ttm180 -58.48 -36.65 74.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 110.335 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.776 ' HG3' ' O ' ' A' ' 12' ' ' ASP . 0.0 OUTLIER -51.09 -56.87 10.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.457 ' N ' ' HD3' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -83.29 -33.88 25.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 109.303 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 1.191 ' O ' ' N ' ' A' ' 19' ' ' TYR . 11.2 m-85 -87.68 29.5 0.89 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.985 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -34.85 7.1 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 1.191 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -64.79 122.13 16.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 111.023 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -99.54 98.13 9.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.692 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.64 -170.05 16.05 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.565 1.166 . . . . 0.0 110.956 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -100.44 92.49 5.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 0.781 . . . . 0.0 110.285 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.936 HD13 ' CE2' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -69.3 108.18 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.265 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.427 ' NH1' ' HB2' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -154.4 117.61 4.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.984 HG11 ' OE2' ' A' ' 54' ' ' GLU . 7.5 p -65.91 100.4 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.405 ' HA ' HD23 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -89.87 -49.59 6.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 1.117 ' CE2' HG11 ' A' ' 55' ' ' VAL . 36.6 p90 -128.15 87.12 2.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 111.032 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.739 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 64.3 p -73.01 110.53 7.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 109.976 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 1.067 HG21 HD21 ' A' ' 81' ' ' LEU . 1.3 t -86.08 160.74 19.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.394 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.608 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 0.6 OUTLIER -100.79 136.85 39.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.659 ' CG1' HD12 ' A' ' 35' ' ' ILE . 1.6 t -72.8 129.54 35.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.52 ' O ' ' N ' ' A' ' 50' ' ' GLY . 3.3 t -81.23 178.68 8.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.374 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.489 ' HA ' ' HB2' ' A' ' 49' ' ' PRO . 4.2 t -81.26 -16.19 53.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 110.4 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.9 t -97.46 14.07 27.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 0.0 109.99 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.689 HG22 ' CA ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -70.22 171.72 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 109.315 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.889 HG23 ' CZ3' ' A' ' 40' ' ' TRP . 3.4 t -69.05 117.7 11.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 110.365 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.408 ' HB3' ' HD3' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -118.52 -27.99 5.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.974 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.43 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 5.4 ptpp? -103.4 -47.69 4.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.565 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -67.78 123.8 21.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.137 . . . . 0.0 109.295 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.889 ' CZ3' HG23 ' A' ' 36' ' ' THR . 7.1 m95 -143.74 129.65 19.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 108.022 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.447 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -118.63 158.96 14.57 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.567 1.167 . . . . 0.0 111.02 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.3 t -56.46 -34.47 66.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.544 0.79 . . . . 0.0 110.429 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.634 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 6.9 mtm180 -96.67 6.11 49.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.13 . . . . 0.0 110.298 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.447 ' CB ' ' H ' ' A' ' 41' ' ' GLY . 0.2 OUTLIER -104.65 162.68 13.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.329 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.86 HD23 ' CG1' ' A' ' 47' ' ' VAL . 6.2 tp -98.03 154.54 17.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.609 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 5.6 tt0 -88.98 31.64 0.85 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 110.344 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.86 ' CG1' HD23 ' A' ' 45' ' ' LEU . 21.5 m -64.3 160.97 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.133 . . . . 0.0 109.313 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.54 156.68 45.73 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.689 ' CA ' HG22 ' A' ' 35' ' ' ILE . 18.3 Cg_endo -74.98 125.48 9.36 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.528 1.804 . . . . 0.0 111.023 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 32' ' ' THR . . . 100.52 13.91 33.99 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.646 ' O ' HG23 ' A' ' 31' ' ' VAL . 3.3 tt0 -109.66 172.41 6.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 0.778 . . . . 0.0 110.279 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -109.95 131.67 54.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.976 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 1.064 HD23 ' O ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -139.83 152.94 46.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.268 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.984 ' OE2' HG11 ' A' ' 25' ' ' VAL . 3.8 mt-10 -79.22 132.88 36.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.115 . . . . 0.0 110.329 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 1.117 HG11 ' CE2' ' A' ' 27' ' ' TYR . 2.5 t -104.24 127.13 58.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.342 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.985 HG22 ' H ' ' A' ' 57' ' ' GLN . 5.2 mt -92.78 -137.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.985 ' H ' HG22 ' A' ' 56' ' ' ILE . 29.2 mm100 -94.27 154.97 17.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.282 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.614 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 4.5 p -67.27 121.26 15.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 110.374 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.474 ' HB ' ' HB3' ' A' ' 63' ' ' LYS . 1.2 m -54.01 -75.35 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.093 . . . . 0.0 110.42 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.417 ' CG ' ' N ' ' A' ' 61' ' ' ASP . 4.1 t0 -105.56 -91.61 0.39 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.417 ' N ' ' CG ' ' A' ' 60' ' ' ASP . 0.5 OUTLIER -117.35 -57.39 2.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.474 HG21 ' CD ' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -117.67 68.87 0.76 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 110.415 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.614 ' O ' ' HA ' ' A' ' 58' ' ' THR . 2.5 tppp? -154.83 130.03 9.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.357 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.564 HG12 ' OH ' ' A' ' 27' ' ' TYR . 8.0 m -120.21 127.37 75.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.806 ' CD2' HD12 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -87.61 129.17 35.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.785 ' SG ' HD22 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -90.76 157.6 17.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 108.299 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.733 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -134.57 145.26 48.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 110.32 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -119.02 133.65 55.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 33.8 tp10 -54.37 -18.06 3.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.303 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -76.66 -4.34 42.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.312 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 88.61 11.61 65.8 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.511 1.132 . . . . 0.0 110.967 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.3 ttpt -102.25 123.45 46.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 0.757 . . . . 0.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.936 ' CE2' HD13 ' A' ' 23' ' ' ILE . 4.8 m-85 -105.86 160.07 15.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.468 ' HA3' HD13 ' A' ' 45' ' ' LEU . . . -157.0 159.33 29.55 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.889 ' CZ ' ' CE2' ' A' ' 17' ' ' PHE . 2.8 m-85 -102.53 153.19 20.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 0.743 . . . . 0.0 111.064 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.454 ' O ' ' CD ' ' A' ' 63' ' ' LYS . 2.2 t -142.42 124.97 13.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.461 HD23 ' H ' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -74.21 143.14 45.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 109.328 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.474 ' CD ' HG21 ' A' ' 62' ' ' THR . 0.0 OUTLIER -56.58 -21.07 24.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.142 . . . . 0.0 110.316 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.411 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 11.6 t -49.7 -59.42 3.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.034 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.723 ' CE1' ' CG2' ' A' ' 36' ' ' THR . 18.8 p90 -116.31 80.36 1.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 111.013 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 1.147 HD22 ' N ' ' A' ' 82' ' ' ALA . 0.3 OUTLIER -166.68 142.37 4.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.154 . . . . 0.0 109.296 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 1.147 ' N ' HD22 ' A' ' 81' ' ' LEU . . . -53.46 168.07 0.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.974 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -81.8 -13.0 58.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -69.15 -25.65 64.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.324 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -61.71 -31.42 71.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.091 . . . . 0.0 110.316 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.645 ' HE3' HH21 ' A' ' 14' ' ' ARG . 10.1 mmtp -65.56 -32.93 74.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -62.35 -39.35 92.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.918 ' CE2' ' CD2' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -67.73 -52.41 37.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.981 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.645 HH21 ' HE3' ' A' ' 11' ' ' LYS . 1.7 ttp-105 -59.62 -28.34 67.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.61 -59.16 5.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.474 ' CG ' ' HD3' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -85.05 -29.81 24.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 1.195 ' O ' ' N ' ' A' ' 19' ' ' TYR . 9.5 m-85 -88.02 29.54 0.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 111.033 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -34.96 6.91 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 1.195 ' N ' ' O ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -65.36 122.73 17.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.971 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -101.58 98.02 8.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.683 ' HA3' ' CE1' ' A' ' 19' ' ' TYR . . . -148.47 -170.32 16.22 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -100.55 92.67 5.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 0.769 . . . . 0.0 110.255 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.883 HG12 HD13 ' A' ' 56' ' ' ILE . 0.1 OUTLIER -70.74 108.54 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -154.56 121.24 5.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 110.325 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 1.097 HG21 ' CG ' ' A' ' 54' ' ' GLU . 3.6 p -66.61 99.55 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.29 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.08 -48.0 7.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 1.021 ' CE2' HG11 ' A' ' 55' ' ' VAL . 37.5 p90 -126.45 88.51 2.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.67 ' HA ' ' H ' ' A' ' 55' ' ' VAL . 13.5 t -73.65 109.67 7.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 109.982 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.775 HG21 HD21 ' A' ' 81' ' ' LEU . 0.7 OUTLIER -93.68 161.37 14.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.405 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.792 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 0.1 OUTLIER -101.93 139.24 37.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 51' ' ' GLU . 1.5 t -71.91 139.51 19.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.842 HG22 ' H ' ' A' ' 34' ' ' SER . 1.2 m -84.43 133.1 34.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.391 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.551 ' O ' ' HB2' ' A' ' 49' ' ' PRO . 5.9 t -47.53 -11.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.373 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.842 ' H ' HG22 ' A' ' 32' ' ' THR . 0.1 OUTLIER -104.15 15.5 28.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 110.043 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.743 HG22 ' CA ' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -70.02 173.88 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.901 HG23 ' CZ3' ' A' ' 40' ' ' TRP . 5.4 t -68.61 119.63 13.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.401 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.468 ' OG ' ' HG3' ' A' ' 49' ' ' PRO . 0.0 OUTLIER -116.31 -26.89 7.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.013 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.451 ' CG ' ' N ' ' A' ' 39' ' ' LYS . 0.1 OUTLIER -103.26 -49.07 3.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.326 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.478 ' O ' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -66.69 124.89 24.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.901 ' CZ3' HG23 ' A' ' 36' ' ' THR . 8.1 m95 -144.25 140.03 29.0 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.455 ' H ' ' CB ' ' A' ' 44' ' ' ASP . . . -119.65 160.81 14.37 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.477 1.111 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.3 m -58.17 -37.11 74.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 0.762 . . . . 0.0 110.382 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.63 ' O ' ' HB2' ' A' ' 75' ' ' TYR . 1.2 mtm180 -98.12 9.72 42.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.245 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.455 ' CB ' ' H ' ' A' ' 41' ' ' GLY . 0.4 OUTLIER -101.97 162.62 12.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 109.332 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.882 HD23 ' CG1' ' A' ' 47' ' ' VAL . 6.7 tp -98.13 154.7 17.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.57 ' O ' ' CG ' ' A' ' 46' ' ' GLN . 5.6 tt0 -88.92 32.74 0.8 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.281 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.882 ' CG1' HD23 ' A' ' 45' ' ' LEU . 22.1 m -64.04 153.06 7.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.54 156.43 35.9 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.276 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.743 ' CA ' HG22 ' A' ' 35' ' ' ILE . 18.2 Cg_endo -74.97 127.89 11.07 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.489 1.784 . . . . 0.0 110.972 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 97.55 12.19 48.63 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.681 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.3 OUTLIER -99.66 171.74 7.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 0.757 . . . . 0.0 110.285 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.3 p -131.73 126.32 34.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 110.031 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.932 HD21 ' HB3' ' A' ' 66' ' ' CYS . 0.0 OUTLIER -140.95 170.12 16.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 1.097 ' CG ' HG21 ' A' ' 25' ' ' VAL . 0.4 OUTLIER -77.01 132.2 38.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 110.285 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 1.021 HG11 ' CE2' ' A' ' 27' ' ' TYR . 2.1 t -103.53 132.76 49.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.965 HG22 ' H ' ' A' ' 57' ' ' GLN . 5.0 mt -91.62 -140.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.965 ' H ' HG22 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -96.77 157.57 15.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.276 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.656 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 8.1 p -67.91 127.98 34.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.087 . . . . 0.0 110.401 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.714 HG21 ' HD3' ' A' ' 63' ' ' LYS . 2.4 m -58.55 -75.63 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.388 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.407 ' CG ' ' N ' ' A' ' 61' ' ' ASP . 5.5 t0 -105.65 -92.15 0.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.407 ' N ' ' CG ' ' A' ' 60' ' ' ASP . 45.8 m-20 -117.91 -56.56 2.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.797 HG22 ' CB ' ' A' ' 78' ' ' ARG . 0.2 OUTLIER -115.02 67.09 0.69 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.421 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.714 ' HD3' HG21 ' A' ' 59' ' ' THR . 18.4 tttp -158.69 131.15 6.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.424 1.077 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 1.034 ' O ' HG12 ' A' ' 76' ' ' VAL . 6.0 m -123.21 130.65 74.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.82 HD12 ' O ' ' A' ' 74' ' ' GLY . 12.3 tp -88.13 119.25 28.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.932 ' HB3' HD21 ' A' ' 53' ' ' LEU . 63.0 m -97.26 157.99 15.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.421 1.076 . . . . 0.0 108.272 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.661 ' HG3' ' CD2' ' A' ' 73' ' ' TYR . 3.5 ttp180 -134.4 144.86 48.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.262 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.624 ' OD1' HD21 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -119.08 140.56 49.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -54.92 -14.4 1.45 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.439 1.087 . . . . 0.0 110.274 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -59.12 -9.65 2.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.543 1.152 . . . . 0.0 110.303 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.13 15.02 65.57 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.494 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 5.0 tttt -122.86 156.03 35.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 0.79 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.805 ' CE2' HD13 ' A' ' 23' ' ' ILE . 26.6 m-85 -114.88 160.57 19.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 110.98 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.82 ' O ' HD12 ' A' ' 65' ' ' LEU . . . -156.26 158.86 28.98 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.509 1.131 . . . . 0.0 111.023 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.887 ' CD2' ' CZ ' ' A' ' 17' ' ' PHE . 2.4 m-85 -104.96 151.81 23.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 0.76 . . . . 0.0 110.983 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 1.034 HG12 ' O ' ' A' ' 64' ' ' VAL . 10.6 p -134.9 125.38 45.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 109.269 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.449 HD23 ' H ' ' A' ' 78' ' ' ARG . 0.1 OUTLIER -74.69 143.55 44.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.267 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.797 ' CB ' HG22 ' A' ' 62' ' ' THR . 0.0 OUTLIER -56.98 -23.48 46.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.277 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.6 t -50.04 -59.13 4.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.979 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.795 ' CE1' HG21 ' A' ' 36' ' ' THR . 8.5 p90 -117.37 80.29 1.47 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 1.166 HD22 ' N ' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -164.34 140.78 6.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.322 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 1.166 ' N ' HD22 ' A' ' 81' ' ' LEU . . . -55.08 171.77 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 0.0 109.328 179.957 . . . . . . . . 1 1 . 1 stop_ save_