data_2dnt_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 2dnt _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 ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.582 HG22 ' CH2' ' A' ' 36' ' ' TRP . 6.0 t -56.48 120.7 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.4 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 9.1 tt0 -80.43 -51.4 8.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.272 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.4 ' HB3' ' O ' ' A' ' 17' ' ' GLU . 10.0 ptm180 177.4 168.39 0.62 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.574 ' HB ' ' CD1' ' A' ' 62' ' ' PHE . 3.8 mm -97.55 132.61 41.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.137 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.425 ' HB ' ' CD2' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -112.71 -15.03 10.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -168.26 169.99 10.41 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.458 1.099 . . . . 0.0 109.296 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.581 ' HG3' ' CD1' ' A' ' 32' ' ' TYR . 0.6 OUTLIER -161.6 137.51 7.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.297 -179.932 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -159.47 174.62 14.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.288 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.3 ttpt -105.15 149.99 25.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.41 1.069 . . . . 0.0 109.318 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.405 ' O ' ' N ' ' A' ' 28' ' ' GLY . 5.1 m-20 -85.73 156.54 20.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.51 -21.14 5.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.273 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -79.71 -31.17 41.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.547 1.155 . . . . 0.0 109.327 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 25' ' ' ASN . . . 114.44 21.9 5.33 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.472 1.107 . . . . 0.0 110.992 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 52.3 mmtt -100.44 139.99 35.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 0.778 . . . . 0.0 109.27 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.521 HG22 ' CE2' ' A' ' 32' ' ' TYR . 3.8 m -81.56 124.87 29.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 110.389 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -122.38 132.77 54.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.342 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.581 ' CD1' ' HG3' ' A' ' 22' ' ' LYS . 71.2 m-85 -113.39 129.56 56.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 111.016 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.425 ' CD2' ' HB ' ' A' ' 20' ' ' VAL . 7.0 tp -75.83 109.62 9.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.546 HG23 ' CE2' ' A' ' 36' ' ' TRP . 0.2 OUTLIER -124.81 144.48 34.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.55 ' O ' ' CG ' ' A' ' 36' ' ' TRP . 0.2 OUTLIER -88.17 172.87 9.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.219 -179.916 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.582 ' CH2' HG22 ' A' ' 16' ' ' VAL . 2.2 m95 -162.04 159.26 26.1 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.4 mttm -61.91 140.96 58.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.59 -38.87 3.16 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.499 1.124 . . . . 0.0 111.045 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -82.11 112.78 19.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 0.762 . . . . 0.0 111.055 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -61.04 179.87 0.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.297 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.6 p -61.21 -41.59 97.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.047 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -88.22 10.46 19.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.232 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.77 -14.62 14.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.413 ' OD1' ' N ' ' A' ' 44' ' ' ASP . 0.9 OUTLIER -40.35 148.11 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 109.248 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 30.1 p -113.86 178.66 4.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.425 1.078 . . . . 0.0 110.39 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.419 ' NE1' HD11 ' A' ' 33' ' ' LEU . 62.4 m95 -118.19 120.21 37.01 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -118.48 137.71 25.03 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.279 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.436 ' O ' ' N ' ' A' ' 51' ' ' HIS . 18.2 Cg_endo -75.01 136.26 20.14 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.49 1.784 . . . . 0.0 111.032 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -40.08 -30.6 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 110.315 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.408 ' N ' ' C ' ' A' ' 48' ' ' PRO . 7.4 tt0 -60.37 -48.75 80.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 110.365 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.436 ' N ' ' O ' ' A' ' 48' ' ' PRO . 17.6 m170 -68.6 -25.16 64.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.617 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 19.8 mt -85.53 71.87 10.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 72.2 t -90.37 132.27 35.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 70.49 21.94 5.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.586 1.179 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 82.5 m -115.15 0.12 13.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 108.269 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -39.58 -47.4 1.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.234 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -42.17 -68.38 0.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.285 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.569 ' CD2' HG13 ' A' ' 16' ' ' VAL . 36.5 m-85 -45.3 -61.83 1.5 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.569 HG23 ' CE1' ' A' ' 32' ' ' TYR . 23.6 mt -47.44 -53.94 3.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.428 1.08 . . . . 0.0 109.341 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -47.44 -57.25 5.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.654 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -54.45 -49.51 69.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.592 1.183 . . . . 0.0 109.293 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.574 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 12.2 t80 -57.88 -40.13 79.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.96 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -63.29 -46.04 88.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.34 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.75 -48.25 63.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.281 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.3 mmm180 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.575 1.172 . . . . 0.0 110.344 179.985 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 110.299 -0.259 . . . . 0.0 110.299 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.591 HG23 ' CH2' ' A' ' 36' ' ' TRP . 6.4 t -51.54 119.97 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.223 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.417 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 18.8 tt0 -80.41 -52.13 8.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.266 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.417 ' HB3' ' O ' ' A' ' 17' ' ' GLU . 8.7 ptp180 177.24 167.12 0.59 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.458 1.099 . . . . 0.0 110.327 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.574 ' HB ' ' CD1' ' A' ' 62' ' ' PHE . 4.1 mm -95.54 131.89 41.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.418 ' HB ' ' CD2' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -111.67 -18.34 7.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.271 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.429 ' HB3' ' CH2' ' A' ' 46' ' ' TRP . 12.5 t0 -165.6 170.08 14.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.581 ' HG3' ' CD1' ' A' ' 32' ' ' TYR . 1.0 OUTLIER -158.57 139.21 12.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.4 mtt85 -162.23 174.77 12.42 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.453 1.096 . . . . 0.0 110.339 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.9 ttpt -104.57 152.0 22.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 29' ' ' LYS . 1.5 m-20 -84.38 171.67 12.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -34.81 78.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.241 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.13 -30.71 67.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 114.41 29.61 2.67 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.486 1.117 . . . . 0.0 110.965 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 25' ' ' ASN . 0.1 OUTLIER -101.8 137.5 40.02 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.471 0.747 . . . . 0.0 109.309 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 17.5 m -80.18 122.19 26.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.429 1.081 . . . . 0.0 110.423 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -121.76 143.39 49.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.581 ' CD1' ' HG3' ' A' ' 22' ' ' LYS . 69.8 m-85 -120.8 129.14 53.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 111.005 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.42 HD11 ' NE1' ' A' ' 46' ' ' TRP . 7.2 tp -74.0 110.13 8.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.562 1.164 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.54 HG23 ' CE2' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -123.6 145.22 30.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 O-C-N 124.432 1.083 . . . . 0.0 109.318 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.545 ' C ' ' CG ' ' A' ' 36' ' ' TRP . 0.0 OUTLIER -88.67 175.43 7.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.423 1.077 . . . . 0.0 110.341 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.591 ' CH2' HG23 ' A' ' 16' ' ' VAL . 2.0 m95 -162.44 164.34 27.18 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.4 pttt -72.82 131.37 42.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.566 1.166 . . . . 0.0 109.357 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.77 -51.45 0.91 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.482 1.114 . . . . 0.0 110.95 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -64.5 112.91 3.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 0.747 . . . . 0.0 110.973 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.29 -176.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 t -66.97 -35.96 81.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 110.03 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -97.93 20.7 11.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.24 -8.59 12.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -41.09 157.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.232 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.442 ' OG1' ' NE1' ' A' ' 36' ' ' TRP . 63.8 p -122.57 162.83 21.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.423 1.077 . . . . 0.0 110.397 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.429 ' CH2' ' HB3' ' A' ' 21' ' ' ASP . 65.0 m95 -109.41 111.02 22.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 107.993 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -107.17 136.85 19.46 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.133 . . . . 0.0 110.305 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.44 ' O ' ' N ' ' A' ' 51' ' ' HIS . 18.2 Cg_endo -75.03 135.12 18.6 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.492 1.785 . . . . 0.0 110.978 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -39.94 -30.79 0.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.197 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.405 ' N ' ' C ' ' A' ' 48' ' ' PRO . 6.6 tt0 -59.7 -48.76 80.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.44 ' N ' ' O ' ' A' ' 48' ' ' PRO . 19.4 m170 -70.39 -27.07 64.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.585 1.178 . . . . 0.0 109.578 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.462 ' CD2' HG22 ' A' ' 16' ' ' VAL . 20.9 mt -83.09 67.88 9.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.257 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 79.1 t -84.91 142.11 13.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.323 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 60.13 16.1 5.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 73.7 m -111.05 6.82 21.18 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.553 1.158 . . . . 0.0 108.264 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -46.62 -46.66 19.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.425 1.078 . . . . 0.0 110.288 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -40.94 -68.25 0.19 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 110.255 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.564 ' CD2' HG11 ' A' ' 16' ' ' VAL . 35.6 m-85 -43.59 -61.12 1.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 111.061 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.561 HG22 ' CE1' ' A' ' 32' ' ' TYR . 15.1 mt -49.61 -56.73 2.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -44.75 -59.22 2.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.416 1.073 . . . . 0.0 109.588 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -53.4 -51.41 62.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.351 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.574 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 8.8 t80 -54.9 -39.93 69.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 110.943 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -65.11 -47.45 77.11 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 -57.44 -63.91 1.07 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 110.272 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.2 mmt180 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.325 -180.0 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.577 HG22 ' CH2' ' A' ' 36' ' ' TRP . 2.8 t -69.62 114.99 7.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.269 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.443 ' OE2' ' NH2' ' A' ' 18' ' ' ARG . 10.7 tt0 -68.33 -53.52 23.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.443 ' NH2' ' OE2' ' A' ' 17' ' ' GLU . 9.1 ptp85 177.33 167.22 0.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.567 1.167 . . . . 0.0 110.265 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.572 ' HB ' ' CD1' ' A' ' 62' ' ' PHE . 3.7 mm -96.05 132.44 40.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 0.0 109.356 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.424 ' HB ' ' CD2' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -112.32 -17.52 8.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -165.15 169.42 16.12 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.459 1.099 . . . . 0.0 109.279 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.569 ' HG3' ' CE1' ' A' ' 32' ' ' TYR . 0.6 OUTLIER -166.98 134.68 2.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.08 174.08 16.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 110.303 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.17 151.41 21.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.108 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.412 ' N ' ' O ' ' A' ' 29' ' ' LYS . 27.2 m-20 -92.07 171.41 9.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -59.25 -32.6 70.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.245 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.42 ' N ' ' HG3' ' A' ' 26' ' ' LYS . 7.7 mttp -75.18 -16.38 60.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 109.342 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.32 12.77 40.91 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.477 1.111 . . . . 0.0 111.034 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.412 ' O ' ' N ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -82.61 139.88 33.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 0.801 . . . . 0.0 109.26 -179.918 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 16.2 m -88.63 122.53 32.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 110.371 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -117.72 137.93 52.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.373 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.569 ' CE1' ' HG3' ' A' ' 22' ' ' LYS . 45.0 m-85 -116.9 126.23 52.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.432 HD12 ' NE1' ' A' ' 46' ' ' TRP . 7.7 tp -74.48 109.35 7.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.208 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.547 HG22 ' CE2' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -124.02 143.18 38.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.425 1.078 . . . . 0.0 109.312 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.549 ' O ' ' CG ' ' A' ' 36' ' ' TRP . 20.2 mmm-85 -86.91 175.7 8.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.333 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.577 ' CH2' HG22 ' A' ' 16' ' ' VAL . 2.5 m95 -162.4 155.37 19.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 108.032 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.4 mttm -65.54 141.95 58.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.33 -28.28 8.37 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.428 1.08 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -91.23 131.87 36.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 0.789 . . . . 0.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -70.02 -166.8 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.254 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.13 -43.25 43.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 110.007 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -88.33 14.61 9.15 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.526 1.141 . . . . 0.0 110.314 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.55 -13.28 14.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.09 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.406 ' N ' ' OD1' ' A' ' 44' ' ' ASP . 0.3 OUTLIER -40.68 152.19 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.448 ' OG1' ' NE1' ' A' ' 36' ' ' TRP . 82.5 p -115.46 169.81 8.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.442 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.432 ' NE1' HD12 ' A' ' 33' ' ' LEU . 49.2 m95 -113.31 121.97 46.01 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -118.3 134.89 23.37 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.279 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.442 ' O ' ' N ' ' A' ' 51' ' ' HIS . 18.2 Cg_endo -75.08 136.27 20.01 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.535 1.808 . . . . 0.0 110.987 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.61 -36.53 0.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.325 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -57.76 -44.63 86.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.297 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.442 ' N ' ' O ' ' A' ' 48' ' ' PRO . 20.9 m170 -72.88 -30.58 64.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.6 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 20.0 mt -79.48 71.85 6.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.272 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.2 t -94.47 141.53 14.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 66.72 10.91 7.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 19.8 m -120.82 19.91 11.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 108.321 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -59.55 -31.49 69.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.257 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -49.1 -65.45 0.56 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.286 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.557 ' CD2' HG13 ' A' ' 16' ' ' VAL . 36.2 m-85 -48.52 -56.4 8.43 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.517 1.136 . . . . 0.0 111.037 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.56 HG21 ' CE1' ' A' ' 32' ' ' TYR . 52.3 mt -51.33 -51.72 22.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.44 1.087 . . . . 0.0 109.385 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -51.0 -53.83 29.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.566 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -56.05 -54.87 39.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.572 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 5.5 t80 -53.53 -45.48 69.82 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -57.31 -49.81 74.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.355 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.4 mmt180 -55.82 -54.91 38.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.303 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.5 mmm180 . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 110.243 -179.938 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.575 HG22 ' CH2' ' A' ' 36' ' ' TRP . 4.9 t -66.23 119.59 11.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.411 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 13.6 tt0 -75.84 -51.68 12.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 110.316 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.423 ' CZ ' ' HB3' ' A' ' 18' ' ' ARG . 3.7 ptp180 177.61 166.41 0.65 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 110.303 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.574 ' HB ' ' CD2' ' A' ' 62' ' ' PHE . 4.2 mm -95.46 132.24 40.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.286 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.432 ' HB ' ' CD2' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -112.37 -15.61 9.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.338 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -167.67 171.83 9.82 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.546 1.154 . . . . 0.0 109.352 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.571 ' HG3' ' CD1' ' A' ' 32' ' ' TYR . 0.8 OUTLIER -167.14 135.67 2.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.251 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.7 -179.68 6.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.263 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.8 ttpt -112.94 162.18 16.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.345 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -111.72 177.91 4.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.271 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.47 -28.05 58.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.0 mtmt -66.67 -40.95 88.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 107.23 17.53 11.42 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.538 1.149 . . . . 0.0 111.004 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.8 mmtp -95.82 139.07 32.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 0.798 . . . . 0.0 109.272 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.464 HG21 ' CE2' ' A' ' 32' ' ' TYR . 19.0 m -74.77 126.13 30.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.407 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -120.91 142.99 49.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.348 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.571 ' CD1' ' HG3' ' A' ' 22' ' ' LYS . 51.4 m-85 -125.6 126.26 44.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.936 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.432 ' CD2' ' HB ' ' A' ' 20' ' ' VAL . 8.1 tp -74.45 110.36 8.68 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.496 1.122 . . . . 0.0 109.222 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.54 HG23 ' CE2' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -124.44 142.79 40.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 109.268 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.55 ' O ' ' CG ' ' A' ' 36' ' ' TRP . 9.9 mtt180 -85.25 175.63 8.82 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.441 1.088 . . . . 0.0 110.3 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.575 ' CH2' HG22 ' A' ' 16' ' ' VAL . 3.4 m95 -162.18 147.89 13.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.095 . . . . 0.0 108.049 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.5 pttt -68.74 154.22 42.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 109.298 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.84 -40.94 3.06 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.555 1.16 . . . . 0.0 111.014 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -82.22 149.77 27.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 0.748 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -75.08 -177.3 3.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.582 1.176 . . . . 0.0 109.337 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 85.1 p -70.79 -35.57 72.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 110.024 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -92.9 17.72 10.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.325 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -109.15 -12.49 14.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.23 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -40.27 144.5 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.589 1.181 . . . . 0.0 109.338 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 60.8 p -114.82 161.22 18.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 110.454 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.431 ' NE1' HD11 ' A' ' 33' ' ' LEU . 47.1 m95 -104.02 117.62 34.73 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -111.58 136.37 21.06 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.334 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.443 ' O ' ' N ' ' A' ' 51' ' ' HIS . 18.1 Cg_endo -75.11 136.57 20.35 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.518 1.799 . . . . 0.0 110.941 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -40.79 -39.98 1.23 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.454 1.096 . . . . 0.0 110.325 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.468 ' O ' ' CG2' ' A' ' 53' ' ' VAL . 5.1 tt0 -55.14 -45.57 75.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.35 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.443 ' N ' ' O ' ' A' ' 48' ' ' PRO . 23.9 m170 -69.8 -34.88 74.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 0.0 109.636 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 18.0 mt -75.5 69.91 2.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.426 1.079 . . . . 0.0 109.328 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.468 ' CG2' ' O ' ' A' ' 50' ' ' GLN . 83.3 t -95.08 137.9 22.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.38 1.05 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 71.95 6.3 5.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 42.9 m -122.16 13.77 10.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.426 1.079 . . . . 0.0 108.38 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.07 -26.15 59.9 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.441 1.088 . . . . 0.0 110.313 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -48.67 -67.36 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.391 1.057 . . . . 0.0 110.229 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.564 ' CD2' HG13 ' A' ' 16' ' ' VAL . 39.5 m-85 -46.93 -54.31 10.33 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.544 HG22 ' CE1' ' A' ' 32' ' ' TYR . 65.3 mt -49.36 -57.25 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.413 1.071 . . . . 0.0 109.256 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -47.09 -51.98 16.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.612 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -59.39 -51.27 70.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.236 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.574 ' CD2' ' HB ' ' A' ' 19' ' ' ILE . 5.2 t80 -54.45 -42.48 70.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.13 . . . . 0.0 110.952 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -62.08 -50.69 70.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 109.276 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.8 mmt180 -57.68 -52.93 63.4 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.556 1.16 . . . . 0.0 110.339 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 . . . . . 0 C--N 1.326 -0.422 0 O-C-N 124.455 1.097 . . . . 0.0 110.296 179.967 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.576 HG22 ' CH2' ' A' ' 36' ' ' TRP . 5.2 t -57.8 121.4 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 109.257 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.407 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 9.7 tt0 -80.83 -50.81 9.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.262 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.407 ' HB3' ' O ' ' A' ' 17' ' ' GLU . 2.2 ptm85 177.49 169.3 0.63 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.305 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.579 ' HB ' ' CD1' ' A' ' 62' ' ' PHE . 3.9 mm -96.99 128.53 48.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.447 ' HB ' ' CD2' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -107.41 -17.83 7.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.296 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.523 ' HB3' ' CH2' ' A' ' 46' ' ' TRP . 4.0 t0 -166.68 172.45 10.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.549 ' HG3' ' CD1' ' A' ' 32' ' ' TYR . 0.4 OUTLIER -162.27 138.12 7.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.9 ptp180 -154.63 172.7 17.44 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 110.328 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.9 ttpt -109.26 150.46 27.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.362 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.418 ' ND2' ' HG3' ' A' ' 31' ' ' GLU . 4.9 m-20 -86.47 159.05 19.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -53.51 -32.4 50.25 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.418 ' N ' ' HG3' ' A' ' 26' ' ' LYS . 0.6 OUTLIER -70.5 -29.4 65.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.294 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 112.32 22.72 5.74 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.503 1.127 . . . . 0.0 110.96 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.9 mmtt -95.39 140.33 30.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.591 0.818 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.486 HG22 ' CE2' ' A' ' 32' ' ' TYR . 24.4 m -80.31 135.25 36.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.457 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.418 ' HG3' ' ND2' ' A' ' 25' ' ' ASN . 1.5 mt-10 -132.15 125.43 31.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.421 1.076 . . . . 0.0 110.267 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.555 ' CE1' HG23 ' A' ' 59' ' ' ILE . 46.9 m-85 -110.73 123.72 50.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 110.933 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.447 ' CD2' ' HB ' ' A' ' 20' ' ' VAL . 4.7 tp -73.47 114.74 12.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.255 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.549 HG21 ' CE2' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -126.66 144.3 37.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.385 1.053 . . . . 0.0 109.33 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.512 ' C ' ' CG ' ' A' ' 36' ' ' TRP . 1.7 mtt180 -88.49 170.78 10.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.6 1.187 . . . . 0.0 110.259 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.576 ' CH2' HG22 ' A' ' 16' ' ' VAL . 1.6 m95 -160.09 166.13 30.44 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -73.81 141.79 46.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.602 1.189 . . . . 0.0 109.303 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.0 -41.43 2.91 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -80.08 113.26 18.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 0.783 . . . . 0.0 111.018 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.79 -171.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.69 -36.89 76.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.582 1.176 . . . . 0.0 110.043 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -92.63 4.13 54.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.276 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.99 -14.4 17.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -44.92 155.31 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.45 ' OG1' ' N ' ' A' ' 46' ' ' TRP . 1.1 t -121.74 174.13 7.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.374 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.523 ' CH2' ' HB3' ' A' ' 21' ' ' ASP . 42.5 m95 -114.98 133.96 55.59 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -126.74 138.92 33.53 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 110.312 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.409 ' O ' ' N ' ' A' ' 51' ' ' HIS . 18.0 Cg_endo -75.06 139.77 24.51 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.466 1.772 . . . . 0.0 110.975 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -45.89 -52.92 10.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 110.293 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -51.27 -23.63 3.71 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.487 1.117 . . . . 0.0 110.331 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.409 ' N ' ' O ' ' A' ' 48' ' ' PRO . 6.6 m170 -92.51 -25.99 18.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 109.621 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.409 ' N ' ' O ' ' A' ' 49' ' ' GLU . 63.3 mt -83.82 53.08 2.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.373 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -69.99 145.23 13.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.152 . . . . 0.0 109.197 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 60.78 15.68 6.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 42.1 m -123.92 3.99 8.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 108.332 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.8 -37.23 18.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.241 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -44.97 -68.66 0.18 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 110.27 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.557 ' CD2' HG11 ' A' ' 16' ' ' VAL . 33.9 m-85 -45.23 -55.17 6.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.979 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.555 HG23 ' CE1' ' A' ' 32' ' ' TYR . 37.7 mt -50.89 -56.99 3.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -46.31 -52.83 11.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 109.519 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -58.08 -52.58 64.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.339 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.579 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 12.6 t80 -55.5 -38.79 69.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 111.046 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -64.13 -47.21 80.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.412 1.07 . . . . 0.0 109.298 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.93 -47.34 64.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.337 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.425 ' HB3' ' NH1' ' A' ' 65' ' ' ARG . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.584 HG21 ' CH2' ' A' ' 36' ' ' TRP . 8.6 t -53.84 121.39 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.169 . . . . 0.0 109.306 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.452 ' OE2' ' NH1' ' A' ' 18' ' ' ARG . 11.1 tt0 -76.45 -50.5 13.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 110.257 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.452 ' NH1' ' OE2' ' A' ' 17' ' ' GLU . 9.4 ptp85 177.71 165.22 0.65 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.49 1.119 . . . . 0.0 110.334 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.567 ' HB ' ' CD1' ' A' ' 62' ' ' PHE . 4.0 mm -94.48 129.83 44.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -107.77 -14.04 9.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.462 ' N ' ' HB3' ' A' ' 33' ' ' LEU . 5.7 t70 -174.88 177.02 2.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.147 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.58 ' HG3' ' CD2' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -169.45 132.57 1.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.8 mtp180 -151.12 -179.15 7.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.282 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -104.72 148.28 26.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.252 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -81.77 173.28 12.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.75 -33.49 76.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -74.06 -28.13 61.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 114.41 21.8 5.38 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.427 1.08 . . . . 0.0 111.025 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.3 mmtp -92.77 140.93 29.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 0.755 . . . . 0.0 109.282 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 42.4 m -82.78 131.8 35.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.09 . . . . 0.0 110.398 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.3 mp0 -131.51 146.25 52.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.301 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.58 ' CD2' ' HG3' ' A' ' 22' ' ' LYS . 73.0 m-85 -125.61 131.87 52.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.462 ' HB3' ' N ' ' A' ' 21' ' ' ASP . 17.9 tp -75.28 107.81 7.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.346 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.552 HG21 ' CE2' ' A' ' 36' ' ' TRP . 0.2 OUTLIER -125.14 139.99 49.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.259 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.546 ' O ' ' CG ' ' A' ' 36' ' ' TRP . 3.0 mtm-85 -86.66 175.0 8.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.242 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.584 ' CH2' HG21 ' A' ' 16' ' ' VAL . 2.1 m95 -162.26 160.06 26.38 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.1 mmtt -64.95 156.53 30.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.398 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.98 -51.55 4.1 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.527 1.142 . . . . 0.0 110.976 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -64.64 142.69 58.34 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.567 0.804 . . . . 0.0 110.961 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -71.33 -166.92 0.2 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 109.317 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 t -79.65 -44.74 20.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.996 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -89.63 12.71 16.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.43 1.082 . . . . 0.0 110.274 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -96.87 -12.98 22.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.364 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 12.7 p30 -40.09 142.45 0.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.345 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 7.4 p -107.49 -176.01 2.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.113 . . . . 0.0 110.397 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 92.0 m95 -121.28 97.82 5.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.117 . . . . 0.0 108.044 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -95.79 136.79 22.06 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.462 1.101 . . . . 0.0 110.323 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' A' ' 51' ' ' HIS . 18.0 Cg_endo -75.07 135.72 19.32 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.479 1.778 . . . . 0.0 110.982 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.423 ' HG3' ' CE1' ' A' ' 32' ' ' TYR . 0.3 OUTLIER -38.86 -46.3 1.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -49.68 -46.55 50.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.57 1.169 . . . . 0.0 110.285 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.446 ' N ' ' O ' ' A' ' 48' ' ' PRO . 28.9 m170 -71.28 -24.28 62.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.085 . . . . 0.0 109.623 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 18.5 mt -89.5 67.99 7.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.419 HG13 ' N ' ' A' ' 54' ' ' ASN . 82.9 t -78.03 141.67 15.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.419 ' N ' HG13 ' A' ' 53' ' ' VAL . 4.1 m120 61.88 23.36 13.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.112 . . . . 0.0 109.252 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.416 ' O ' ' C ' ' A' ' 56' ' ' GLU . 8.0 t -104.74 -13.85 15.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 108.223 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 55' ' ' CYS . 3.0 mt-10 -37.18 -43.54 0.51 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 110.272 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -48.41 -60.18 2.88 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.503 1.127 . . . . 0.0 110.334 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -58.57 -55.55 33.63 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.457 1.098 . . . . 0.0 111.051 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.535 HG21 ' CE2' ' A' ' 32' ' ' TYR . 11.7 mt -49.88 -54.31 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -45.24 -57.93 3.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 109.591 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -54.98 -49.18 72.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.567 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 14.1 t80 -57.52 -38.05 74.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -63.49 -41.86 98.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 109.258 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.93 -51.46 69.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.231 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.9 mmm-85 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.32 -179.964 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.56 HG12 ' CD2' ' A' ' 58' ' ' TYR . 5.5 t -54.8 120.15 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 109.287 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.418 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 17.0 tt0 -80.18 -51.95 8.35 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.456 1.098 . . . . 0.0 110.254 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.418 ' HB3' ' O ' ' A' ' 17' ' ' GLU . 15.6 ptp180 177.15 164.66 0.53 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 110.348 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.573 ' HB ' ' CD1' ' A' ' 62' ' ' PHE . 4.4 mm -92.75 132.66 36.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.422 1.076 . . . . 0.0 109.349 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.424 ' HB ' ' CD2' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -112.62 -14.3 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.476 ' HB3' ' CH2' ' A' ' 46' ' ' TRP . 17.1 t0 -169.98 169.06 8.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.564 ' HG3' ' CD1' ' A' ' 32' ' ' TYR . 0.6 OUTLIER -160.41 130.37 5.23 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.504 1.127 . . . . 0.0 109.247 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.0 ptt180 -153.11 -179.05 7.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.303 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -116.91 155.61 28.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.237 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -91.9 178.29 5.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.15 -34.06 73.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.42 1.075 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -69.75 -32.56 71.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.331 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 110.7 15.45 11.06 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.3 mmmt -80.9 136.35 36.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 0.785 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 54.4 m -78.63 128.96 34.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 110.371 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -129.64 137.69 50.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 110.34 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.564 ' CD1' ' HG3' ' A' ' 22' ' ' LYS . 60.6 m-85 -117.88 124.17 47.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 110.922 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.424 ' CD2' ' HB ' ' A' ' 20' ' ' VAL . 6.2 tp -71.94 111.35 7.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.254 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.554 HG22 ' CE2' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -120.99 151.57 24.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.358 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.559 ' C ' ' CG ' ' A' ' 36' ' ' TRP . 0.3 OUTLIER -95.52 176.38 6.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.262 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.559 ' CG ' ' C ' ' A' ' 35' ' ' ARG . 1.6 m95 -162.75 175.61 11.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.159 . . . . 0.0 107.933 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -80.03 144.33 33.31 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.41 -42.26 3.13 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.47 1.106 . . . . 0.0 111.004 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -80.44 118.11 21.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 0.767 . . . . 0.0 111.02 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -51.19 178.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.484 ' OG ' ' CZ ' ' A' ' 35' ' ' ARG . 45.6 m -67.37 -29.87 69.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.962 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -95.24 20.08 9.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.258 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 44' ' ' ASP . 0.8 OUTLIER -112.65 -14.39 13.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.271 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.427 ' OD1' ' N ' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -40.21 126.84 2.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.41 ' CG2' ' HE1' ' A' ' 36' ' ' TRP . 6.9 t -83.67 -175.87 6.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 110.39 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.476 ' CH2' ' HB3' ' A' ' 21' ' ' ASP . 76.3 m95 -123.41 100.55 6.88 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -102.25 136.7 19.38 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 110.305 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.445 ' O ' ' N ' ' A' ' 51' ' ' HIS . 18.5 Cg_endo -74.95 139.5 24.5 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.436 1.756 . . . . 0.0 111.039 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.98 -28.18 0.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.402 ' N ' ' C ' ' A' ' 48' ' ' PRO . 2.6 tt0 -65.21 -44.12 89.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.251 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.445 ' N ' ' O ' ' A' ' 48' ' ' PRO . 20.7 m170 -73.43 -29.59 62.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 109.59 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.441 ' CD2' HG22 ' A' ' 16' ' ' VAL . 25.1 mt -81.51 67.32 7.42 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.472 1.108 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 72.8 t -81.99 142.71 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 22.7 m-20 55.89 27.29 10.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 59.5 m -121.66 2.68 10.11 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.451 1.094 . . . . 0.0 108.281 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.44 -38.23 8.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.429 1.08 . . . . 0.0 110.293 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -42.34 -66.34 0.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 110.307 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.56 ' CD2' HG12 ' A' ' 16' ' ' VAL . 43.6 m-85 -52.24 -59.93 3.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.963 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.504 HG22 ' CE1' ' A' ' 32' ' ' TYR . 25.0 mt -45.43 -51.08 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -49.89 -59.71 3.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.561 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -53.6 -51.49 62.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.138 . . . . 0.0 109.288 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.573 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 10.5 t80 -55.24 -39.46 69.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 111.065 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -64.02 -36.52 84.25 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.513 1.133 . . . . 0.0 109.254 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.3 mmt85 -70.04 -58.03 4.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.255 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 110.302 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.302 -0.258 . . . . 0.0 110.302 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.579 HG21 ' CH2' ' A' ' 36' ' ' TRP . 7.5 t -64.5 121.98 14.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.413 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 20.1 tt0 -83.28 -51.03 7.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.345 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.413 ' HB3' ' O ' ' A' ' 17' ' ' GLU . 12.2 ptp180 177.52 165.68 0.62 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.57 1.169 . . . . 0.0 110.402 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.573 ' HB ' ' CD1' ' A' ' 62' ' ' PHE . 4.0 mm -94.95 131.81 40.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.431 ' HB ' ' CD2' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -111.27 -18.43 7.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.356 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.45 ' HB3' ' CH2' ' A' ' 46' ' ' TRP . 20.0 t0 -164.99 171.88 13.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.573 ' HG3' ' CD1' ' A' ' 32' ' ' TYR . 0.3 OUTLIER -161.49 132.73 5.36 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.438 1.086 . . . . 0.0 109.266 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.93 171.7 17.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.087 . . . . 0.0 110.282 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.1 ttpp -106.81 151.62 24.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.425 ' N ' ' O ' ' A' ' 29' ' ' LYS . 1.9 m-20 -85.31 165.29 17.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.145 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.75 -29.74 68.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.4 -29.21 62.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.544 1.152 . . . . 0.0 109.341 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 113.02 24.67 4.77 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.506 1.129 . . . . 0.0 110.979 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 25' ' ' ASN . 0.1 OUTLIER -98.39 137.22 37.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 0.789 . . . . 0.0 109.343 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.476 HG21 ' CE2' ' A' ' 32' ' ' TYR . 12.9 m -80.86 131.21 35.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 110.362 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -130.24 130.86 45.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.34 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.573 ' CD1' ' HG3' ' A' ' 22' ' ' LYS . 68.3 m-85 -111.55 128.01 55.9 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.461 1.1 . . . . 0.0 110.993 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.431 ' CD2' ' HB ' ' A' ' 20' ' ' VAL . 6.8 tp -73.69 111.04 8.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.551 HG21 ' CE2' ' A' ' 36' ' ' TRP . 0.2 OUTLIER -126.15 144.59 35.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.153 . . . . 0.0 109.3 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.539 ' O ' ' CG ' ' A' ' 36' ' ' TRP . 0.0 OUTLIER -85.84 174.52 9.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.237 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.579 ' CH2' HG21 ' A' ' 16' ' ' VAL . 3.6 m95 -161.51 165.0 29.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 107.99 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -75.22 138.3 41.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 0.0 109.278 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.26 -37.44 3.41 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.554 1.159 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -84.06 115.13 22.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 0.774 . . . . 0.0 111.011 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -53.42 -178.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.9 t -65.72 -41.67 91.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.122 . . . . 0.0 110.069 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -85.26 2.25 44.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 110.25 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -98.57 -8.64 26.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -40.32 144.69 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.368 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.441 ' OG1' ' NE1' ' A' ' 36' ' ' TRP . 72.5 p -110.64 165.78 11.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 110.422 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.45 ' CH2' ' HB3' ' A' ' 21' ' ' ASP . 64.0 m95 -110.29 116.75 32.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 108.001 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -114.51 135.79 22.31 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.267 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.43 ' O ' ' N ' ' A' ' 51' ' ' HIS . 18.1 Cg_endo -74.97 137.48 21.83 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.515 1.797 . . . . 0.0 111.012 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.99 -31.53 0.12 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.537 1.148 . . . . 0.0 110.311 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -60.01 -49.31 78.16 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.527 1.142 . . . . 0.0 110.334 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.43 ' N ' ' O ' ' A' ' 48' ' ' PRO . 16.5 m170 -69.24 -20.73 63.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.655 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 22.9 mt -90.51 67.49 6.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.409 1.068 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 71.3 t -82.55 145.28 8.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 31.5 m-20 52.94 23.82 3.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 109.274 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 85.0 m -116.28 -0.13 12.69 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.49 1.118 . . . . 0.0 108.263 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -41.81 -39.22 1.7 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.327 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -44.16 -68.79 0.17 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.454 1.096 . . . . 0.0 110.321 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.561 ' CD2' HG13 ' A' ' 16' ' ' VAL . 38.2 m-85 -46.36 -61.84 1.62 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.555 HG22 ' CE1' ' A' ' 32' ' ' TYR . 64.1 mt -46.4 -53.12 2.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -47.86 -61.82 1.77 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.535 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -51.16 -48.89 61.76 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.451 1.094 . . . . 0.0 109.269 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.573 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 12.1 t80 -58.04 -39.23 77.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.981 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 59' ' ' ILE . 1.0 OUTLIER -67.2 -37.32 83.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.89 -52.29 66.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 110.285 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.257 -179.949 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.566 HG11 ' CD2' ' A' ' 58' ' ' TYR . 5.2 t -55.06 122.96 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -81.43 -49.64 10.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.331 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.3 ptp180 177.88 164.93 0.67 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 0.0 110.323 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.577 ' HB ' ' CD2' ' A' ' 62' ' ' PHE . 4.4 mm -93.6 129.46 43.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.262 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -107.41 -12.34 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.443 ' N ' ' HB3' ' A' ' 33' ' ' LEU . 24.9 t0 -174.23 179.12 1.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.329 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.566 ' HG3' ' CE1' ' A' ' 32' ' ' TYR . 1.6 tttt -169.38 128.43 1.0 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.412 ' NH1' ' HB3' ' A' ' 23' ' ' ARG . 2.6 mtp-105 -150.53 -178.95 6.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 110.351 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -104.64 148.98 25.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.589 1.181 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -76.36 -179.86 5.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.324 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.17 -36.71 72.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.583 1.177 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.42 -39.05 71.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 126.08 42.59 0.3 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.514 1.134 . . . . 0.0 110.966 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.5 mmtm -114.15 141.47 47.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 0.797 . . . . 0.0 109.339 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 52.9 m -76.24 130.27 37.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 110.353 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -129.1 140.8 51.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.25 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.566 ' CE1' ' HG3' ' A' ' 22' ' ' LYS . 49.8 m-85 -122.27 127.56 50.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.966 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.443 ' HB3' ' N ' ' A' ' 21' ' ' ASP . 17.2 tp -73.65 109.02 6.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 109.358 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.554 HG22 ' CE2' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -124.7 137.77 56.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.267 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.539 ' C ' ' CG ' ' A' ' 36' ' ' TRP . 6.7 mmm-85 -84.26 176.49 8.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.278 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.554 ' CE2' HG22 ' A' ' 34' ' ' VAL . 2.3 m95 -161.72 157.01 23.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.584 1.177 . . . . 0.0 107.998 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.7 mmtt -64.94 156.91 29.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.115 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.04 -51.02 4.28 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.476 1.11 . . . . 0.0 111.063 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -89.39 140.64 29.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 0.747 . . . . 0.0 111.029 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 43' ' ' ASP . 3.3 m-20 -94.47 171.12 9.0 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.535 1.147 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.7 t -45.97 -56.83 4.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.059 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -51.79 -21.05 2.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.401 1.063 . . . . 0.0 110.319 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 40' ' ' ASP . 26.3 m-20 -113.41 42.11 2.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.257 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.5 p30 -83.77 176.08 9.2 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.412 1.07 . . . . 0.0 109.339 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.5 p -136.17 168.8 18.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.424 1.078 . . . . 0.0 110.39 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 74.1 m95 -118.42 102.03 8.62 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.546 1.154 . . . . 0.0 107.975 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -99.95 134.6 20.82 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.095 . . . . 0.0 110.335 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.408 ' O ' ' N ' ' A' ' 51' ' ' HIS . 18.5 Cg_endo -74.95 142.53 28.15 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.537 1.809 . . . . 0.0 111.051 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -46.45 -50.27 17.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.262 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -50.8 -25.05 3.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 110.315 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.408 ' N ' ' O ' ' A' ' 48' ' ' PRO . 19.1 m170 -91.03 -26.11 19.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.574 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 49' ' ' GLU . 74.2 mt -85.29 53.57 2.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -69.3 142.76 15.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.438 1.087 . . . . 0.0 109.238 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 59.32 18.36 6.63 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 80.4 m -120.49 9.97 11.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.583 1.177 . . . . 0.0 108.305 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -56.0 -33.45 64.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -45.18 -69.01 0.15 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.509 1.131 . . . . 0.0 110.301 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.566 ' CD2' HG11 ' A' ' 16' ' ' VAL . 38.6 m-85 -49.68 -49.39 47.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 111.046 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.565 HG23 ' CE1' ' A' ' 32' ' ' TYR . 82.7 mt -52.58 -59.37 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.339 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -45.11 -51.51 10.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.577 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -58.42 -52.21 66.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.424 1.077 . . . . 0.0 109.336 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.577 ' CD2' ' HB ' ' A' ' 19' ' ' ILE . 10.3 t80 -56.8 -39.66 74.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 111.019 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.22 -49.0 77.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.143 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.49 -46.4 70.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 110.323 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.3 mmm180 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.311 179.988 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.272 -0.269 . . . . 0.0 110.272 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.562 HG23 ' CH2' ' A' ' 36' ' ' TRP . 4.3 t -55.84 121.22 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.404 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 12.6 tt0 -82.27 -51.28 8.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 110.267 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.404 ' HB3' ' O ' ' A' ' 17' ' ' GLU . 15.4 ptp180 177.58 165.61 0.63 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.573 1.171 . . . . 0.0 110.334 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.571 ' HB ' ' CD1' ' A' ' 62' ' ' PHE . 4.0 mm -94.19 131.22 41.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.345 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.423 ' HB ' ' CD2' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -110.97 -19.23 7.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.264 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -162.06 168.61 22.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.086 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.564 ' HG3' ' CD1' ' A' ' 32' ' ' TYR . 0.7 OUTLIER -167.77 134.31 2.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.243 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.94 175.79 13.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.29 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.471 ' CG ' ' HA2' ' A' ' 28' ' ' GLY . 3.1 ttpt -100.81 150.14 23.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.169 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 35.9 m-20 -92.59 -179.85 5.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.36 -40.7 98.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.572 1.17 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 31.3 mttp -71.4 -10.86 60.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.471 ' HA2' ' CG ' ' A' ' 24' ' ' LYS . . . 93.1 15.54 51.28 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -80.25 139.13 36.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 0.758 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.436 HG23 ' CE2' ' A' ' 32' ' ' TYR . 12.7 m -86.23 122.42 30.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.133 . . . . 0.0 110.37 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -115.27 142.66 46.37 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.452 1.095 . . . . 0.0 110.305 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.564 ' CD1' ' HG3' ' A' ' 22' ' ' LYS . 42.5 m-85 -123.91 122.49 38.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.596 1.185 . . . . 0.0 110.94 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.429 HD12 ' NE1' ' A' ' 46' ' ' TRP . 7.0 tp -72.82 109.61 6.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.553 HG21 ' CE2' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -122.49 141.04 44.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.552 ' O ' ' CG ' ' A' ' 36' ' ' TRP . 22.3 mtm180 -83.27 176.64 9.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.256 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.562 ' CH2' HG23 ' A' ' 16' ' ' VAL . 3.3 m95 -162.17 149.47 13.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 108.04 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.17 148.78 39.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.34 -51.46 4.18 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.49 1.119 . . . . 0.0 110.961 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -55.29 124.61 17.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 0.737 . . . . 0.0 111.007 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.92 -175.04 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.25 -44.93 82.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.937 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.75 22.87 3.34 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 110.274 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -110.63 -18.5 13.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.097 . . . . 0.0 109.276 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -42.58 147.1 0.3 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 47.8 p -118.12 160.01 22.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.401 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.429 ' NE1' HD12 ' A' ' 33' ' ' LEU . 38.8 m95 -102.05 119.05 38.17 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -109.82 131.33 22.0 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.524 1.14 . . . . 0.0 110.321 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.437 ' O ' ' N ' ' A' ' 51' ' ' HIS . 18.3 Cg_endo -74.92 136.01 19.99 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.515 1.797 . . . . 0.0 111.029 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.32 -41.12 2.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -54.18 -41.08 68.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.332 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.437 ' N ' ' O ' ' A' ' 48' ' ' PRO . 16.8 m170 -76.85 -32.24 57.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.587 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 26.2 mt -78.28 65.85 3.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 48.6 t -87.36 138.39 19.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.255 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 68.32 9.91 7.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 26.5 m -118.36 19.77 13.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 108.335 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.83 -34.97 73.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 110.232 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -44.42 -64.31 0.71 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 110.314 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.54 ' CD2' HG12 ' A' ' 16' ' ' VAL . 43.6 m-85 -48.81 -61.3 2.12 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.453 1.096 . . . . 0.0 110.986 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.554 HG21 ' CE1' ' A' ' 32' ' ' TYR . 11.5 mt -48.37 -41.71 11.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.254 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -61.61 -47.22 86.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.602 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -61.92 -45.47 93.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.162 . . . . 0.0 109.395 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.571 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 16.7 t80 -60.49 -38.89 85.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.42 1.075 . . . . 0.0 111.016 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.18 -48.57 75.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.425 1.078 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.8 mmt180 -58.02 -50.74 72.38 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.57 1.168 . . . . 0.0 110.289 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.5 mtt-85 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.572 1.17 . . . . 0.0 110.279 -179.969 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.571 HG12 ' CD2' ' A' ' 58' ' ' TYR . 6.2 t -69.45 120.2 16.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.444 ' OE2' ' NH1' ' A' ' 18' ' ' ARG . 10.8 tt0 -78.19 -51.58 10.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.316 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.444 ' NH1' ' OE2' ' A' ' 17' ' ' GLU . 9.3 ptp85 177.25 164.81 0.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 110.335 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.57 ' HB ' ' CD1' ' A' ' 62' ' ' PHE . 3.6 mm -93.52 131.29 40.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.258 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.42 ' HB ' ' CD2' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -111.17 -18.36 7.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 109.32 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.448 ' OD1' ' N ' ' A' ' 22' ' ' LYS . 5.2 t0 -166.23 172.22 11.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.567 ' HG3' ' CD1' ' A' ' 32' ' ' TYR . 1.1 tttt -164.68 133.48 3.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.78 176.75 11.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 110.34 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.48 ' CG ' ' HA2' ' A' ' 28' ' ' GLY . 2.8 ttpt -104.88 146.02 29.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.419 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 1.6 m-20 -80.84 167.04 20.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -57.85 -31.72 66.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.313 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.422 ' N ' ' HG3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -75.89 -20.37 58.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.48 ' HA2' ' CG ' ' A' ' 24' ' ' LYS . . . 103.38 21.6 9.79 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.477 1.111 . . . . 0.0 110.946 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.27 139.02 31.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.43 0.723 . . . . 0.0 109.276 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 31.3 m -82.41 126.17 31.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.577 1.173 . . . . 0.0 110.43 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -129.78 131.46 46.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.339 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.569 ' CE1' HG21 ' A' ' 59' ' ' ILE . 74.3 m-85 -108.75 128.98 55.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 111.036 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.42 ' CD2' ' HB ' ' A' ' 20' ' ' VAL . 6.6 tp -73.93 109.72 7.65 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.563 1.164 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.541 HG22 ' CE2' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -122.5 147.73 26.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.552 ' C ' ' CG ' ' A' ' 36' ' ' TRP . 24.0 mmm-85 -91.22 175.07 7.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.284 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.564 ' CH2' HG22 ' A' ' 16' ' ' VAL . 1.8 m95 -162.46 165.64 25.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.554 1.159 . . . . 0.0 107.997 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.59 146.76 46.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.16 -43.83 3.16 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.473 1.108 . . . . 0.0 111.016 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -81.96 122.71 28.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 0.783 . . . . 0.0 111.015 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.07 -158.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.403 1.064 . . . . 0.0 109.318 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.405 ' O ' ' CG ' ' A' ' 44' ' ' ASP . 0.5 OUTLIER -78.13 -37.87 45.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.974 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -87.34 10.53 17.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -107.71 -15.24 14.62 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.405 ' CG ' ' O ' ' A' ' 41' ' ' SER . 0.5 OUTLIER -40.05 140.9 0.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 109.334 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.405 ' OG1' ' NE1' ' A' ' 36' ' ' TRP . 55.6 p -109.22 161.54 15.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.409 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.419 ' NE1' HD12 ' A' ' 33' ' ' LEU . 63.4 m95 -106.41 113.83 27.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.537 1.148 . . . . 0.0 107.983 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -111.69 136.22 21.11 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 110.267 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.447 ' O ' ' N ' ' A' ' 51' ' ' HIS . 18.4 Cg_endo -74.94 134.85 18.43 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.554 1.818 . . . . 0.0 111.075 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.76 -31.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.317 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.41 ' N ' ' O ' ' A' ' 48' ' ' PRO . 3.4 tt0 -56.92 -49.6 75.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.293 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.447 ' N ' ' O ' ' A' ' 48' ' ' PRO . 18.3 m170 -70.6 -26.16 63.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.561 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 22.8 mt -84.21 69.35 10.41 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.401 ' O ' ' SG ' ' A' ' 55' ' ' CYS . 68.5 t -86.87 138.41 19.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 61.32 21.33 11.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.247 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 53' ' ' VAL . 19.7 m -115.36 15.27 16.86 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.561 1.163 . . . . 0.0 108.307 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.18 -42.37 73.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.573 1.171 . . . . 0.0 110.31 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -40.98 -65.1 0.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.297 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.571 ' CD2' HG12 ' A' ' 16' ' ' VAL . 38.4 m-85 -49.3 -62.02 1.77 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.383 1.052 . . . . 0.0 110.975 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.569 HG21 ' CE1' ' A' ' 32' ' ' TYR . 12.0 mt -46.79 -42.29 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.339 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -60.33 -59.65 5.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.608 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -52.34 -37.21 55.47 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.57 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 78.6 t80 -68.78 -28.46 66.8 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.527 1.142 . . . . 0.0 111.043 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -86.37 -43.1 13.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.425 ' HG3' ' N ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -69.36 -27.11 65.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.588 1.18 . . . . 0.0 110.314 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.425 ' N ' ' HG3' ' A' ' 64' ' ' ARG . 2.3 mmm180 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 110.367 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.573 HG13 ' CD2' ' A' ' 58' ' ' TYR . 4.0 t -72.56 116.94 15.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.413 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 22.1 tt0 -68.65 -53.0 25.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.552 1.157 . . . . 0.0 110.357 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.413 ' HB3' ' O ' ' A' ' 17' ' ' GLU . 15.2 ptp180 177.13 165.07 0.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.573 1.171 . . . . 0.0 110.277 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.577 ' HB ' ' CD2' ' A' ' 62' ' ' PHE . 5.4 mm -90.01 123.89 42.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.566 1.166 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.412 ' HB ' HD21 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -102.17 -20.75 5.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.525 1.141 . . . . 0.0 109.277 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.503 ' HB3' ' CH2' ' A' ' 46' ' ' TRP . 7.5 t0 -163.64 175.54 10.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.229 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.572 ' HG3' ' CD1' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -171.56 128.97 0.67 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -153.42 179.71 8.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.143 . . . . 0.0 110.246 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.73 157.91 26.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 25.1 m-20 -101.77 170.62 8.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.246 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.78 -31.17 37.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.24 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -67.74 -41.85 82.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 0.0 109.341 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 116.38 11.84 9.36 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.487 1.117 . . . . 0.0 110.955 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -80.49 135.66 36.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 0.752 . . . . 0.0 109.277 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 53.1 m -84.62 126.94 33.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 110.362 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.432 ' OE2' ' N ' ' A' ' 48' ' ' PRO . 5.4 mm-40 -124.77 139.92 53.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.331 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.572 ' CD1' ' HG3' ' A' ' 22' ' ' LYS . 43.9 m-85 -121.13 120.09 34.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 110.992 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.431 HD11 ' NE1' ' A' ' 46' ' ' TRP . 51.5 tp -71.21 109.57 5.33 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.549 HG23 ' CE2' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -119.9 143.41 31.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.458 1.098 . . . . 0.0 109.265 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.553 ' O ' ' CG ' ' A' ' 36' ' ' TRP . 0.0 OUTLIER -85.19 176.49 8.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.098 . . . . 0.0 110.25 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.553 ' CG ' ' O ' ' A' ' 35' ' ' ARG . 2.7 m95 -162.48 151.33 15.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 108.022 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.18 143.07 55.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.354 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.2 -45.91 3.02 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.518 1.136 . . . . 0.0 111.04 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -83.59 129.23 34.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 0.744 . . . . 0.0 110.956 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -71.69 -170.19 0.52 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.8 t -66.73 -51.79 51.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 110.029 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -64.46 -12.29 42.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.436 1.085 . . . . 0.0 110.319 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -92.99 -21.63 19.65 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.402 ' CB ' HD12 ' A' ' 33' ' ' LEU . 43.9 m-20 -41.07 146.16 0.18 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.423 ' OG1' ' NE1' ' A' ' 36' ' ' TRP . 74.7 p -113.0 170.71 8.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.413 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.503 ' CH2' ' HB3' ' A' ' 21' ' ' ASP . 57.9 m95 -114.54 113.17 24.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 108.019 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -105.38 133.62 20.08 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.342 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.432 ' N ' ' OE2' ' A' ' 31' ' ' GLU . 18.4 Cg_endo -74.93 138.05 22.69 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.472 1.775 . . . . 0.0 111.063 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 52' ' ' LEU . 0.2 OUTLIER -43.26 -56.11 3.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -47.58 -31.31 4.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.316 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.404 ' N ' ' O ' ' A' ' 48' ' ' PRO . 7.2 m170 -83.62 -31.95 25.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.626 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 49' ' ' GLU . 36.9 mt -77.72 64.79 3.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.359 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.0 t -83.88 142.42 13.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 0.0 109.27 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 65.15 12.13 7.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.347 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 32.0 m -124.02 18.45 9.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 108.307 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -59.83 -35.89 75.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.345 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 50.0 tt0 -42.68 -65.12 0.51 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.328 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.573 ' CD2' HG13 ' A' ' 16' ' ' VAL . 25.7 m-85 -49.62 -57.55 6.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.964 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.51 HG23 ' CE1' ' A' ' 32' ' ' TYR . 81.2 mt -49.77 -53.69 9.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -50.25 -50.92 48.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.548 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -60.04 -59.67 5.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.577 ' CD2' ' HB ' ' A' ' 19' ' ' ILE . 4.4 t80 -49.35 -47.78 47.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -54.16 -46.8 72.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.8 mmt-85 -57.94 -54.73 43.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.423 1.077 . . . . 0.0 110.28 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.2 mmm180 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.312 -179.937 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.559 HG21 ' CH2' ' A' ' 36' ' ' TRP . 5.3 t -62.57 122.5 13.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.413 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 11.6 tt0 -77.67 -50.27 12.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.413 ' HB3' ' O ' ' A' ' 17' ' ' GLU . 8.4 ptp180 177.59 168.41 0.66 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 110.255 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.567 ' HB ' ' CD1' ' A' ' 62' ' ' PHE . 2.9 mm -96.58 129.42 46.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.416 ' HB ' ' CD2' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -108.53 -12.24 10.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.1 . . . . 0.0 109.264 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.42 ' HB3' ' CH2' ' A' ' 46' ' ' TRP . 16.2 t0 -173.47 167.78 4.61 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.425 1.078 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.58 ' HG3' ' CE1' ' A' ' 32' ' ' TYR . 0.5 OUTLIER -159.44 139.27 11.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 109.331 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -163.46 179.67 7.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.31 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -110.45 162.6 14.52 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.418 ' ND2' ' O ' ' A' ' 29' ' ' LYS . 0.7 OUTLIER -109.43 175.94 5.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.27 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.34 -18.99 65.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.416 1.072 . . . . 0.0 109.344 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.6 mttt -77.18 -42.55 37.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.259 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 119.04 -0.58 14.78 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.443 1.089 . . . . 0.0 111.043 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.533 ' N ' ' CD ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -78.4 142.2 37.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 0.734 . . . . 0.0 109.226 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.6 m -85.37 121.67 28.42 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.532 1.145 . . . . 0.0 110.379 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -116.05 150.18 37.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.11 . . . . 0.0 110.333 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.58 ' CE1' ' HG3' ' A' ' 22' ' ' LYS . 72.2 m-85 -130.53 127.75 39.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.966 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.425 HD11 ' NE1' ' A' ' 46' ' ' TRP . 6.8 tp -73.54 109.52 7.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.527 HG23 ' CE2' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -123.8 144.32 33.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.251 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.556 ' O ' ' CG ' ' A' ' 36' ' ' TRP . 1.1 mmp_? -86.85 176.02 7.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 110.26 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.559 ' CH2' HG21 ' A' ' 16' ' ' VAL . 2.2 m95 -162.81 155.97 19.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 108.032 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -84.9 165.2 17.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.5 -36.95 3.34 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.491 1.119 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.403 ' HB3' ' CB ' ' A' ' 43' ' ' ASP . 31.7 m-85 -92.98 172.15 8.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 0.772 . . . . 0.0 110.932 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -79.13 -173.92 3.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.4 m -79.72 -36.18 37.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.941 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -91.17 26.57 2.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.608 1.193 . . . . 0.0 110.275 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 44' ' ' ASP . 9.4 t0 -106.46 -13.93 15.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 43' ' ' ASP . 2.2 p30 -39.73 132.61 1.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.248 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.8 p -111.5 -177.41 3.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 110.445 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.425 ' NE1' HD11 ' A' ' 33' ' ' LEU . 61.1 m95 -119.78 112.87 19.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 108.051 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -108.06 141.35 22.97 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 110.292 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.458 ' O ' ' N ' ' A' ' 51' ' ' HIS . 18.4 Cg_endo -75.01 134.9 18.35 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.485 1.781 . . . . 0.0 110.98 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -40.38 -44.0 1.88 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.09 . . . . 0.0 110.338 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -52.09 -43.44 63.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.601 1.188 . . . . 0.0 110.347 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.458 ' N ' ' O ' ' A' ' 48' ' ' PRO . 18.7 m170 -76.27 -20.91 56.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.556 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.467 ' HB3' ' CB ' ' A' ' 55' ' ' CYS . 29.9 mt -92.1 64.37 4.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.258 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 71.0 t -73.9 139.25 19.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 67.77 12.25 8.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.467 ' CB ' ' HB3' ' A' ' 52' ' ' LEU . 47.2 t -90.69 -22.0 21.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.579 1.174 . . . . 0.0 108.231 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 55' ' ' CYS . 31.8 mt-10 -36.01 -39.4 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.292 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -53.86 -53.13 56.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.288 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.459 ' CD2' HG12 ' A' ' 16' ' ' VAL . 50.8 m-85 -66.38 -52.87 42.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.986 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.482 HG23 ' CE1' ' A' ' 32' ' ' TYR . 6.4 mt -48.78 -50.25 13.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -46.58 -62.98 1.13 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.625 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -50.81 -49.87 57.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.356 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.567 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 11.1 t80 -56.14 -40.72 74.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 110.949 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -65.2 -43.26 92.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 -53.55 -52.51 59.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.6 mmt180 . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.542 1.151 . . . . 0.0 110.275 -179.98 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.337 -0.245 . . . . 0.0 110.337 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.569 HG12 ' CD2' ' A' ' 58' ' ' TYR . 11.7 t -59.25 126.36 16.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.259 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -86.99 -48.55 8.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.431 1.082 . . . . 0.0 110.239 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 177.76 166.2 0.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.322 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.545 ' HB ' ' CD1' ' A' ' 62' ' ' PHE . 3.6 mm -95.19 128.74 46.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.415 ' HB ' ' CD2' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -108.34 -12.64 10.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.498 ' HB3' ' CH2' ' A' ' 46' ' ' TRP . 15.0 t0 -174.71 173.19 2.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.57 ' HG3' ' CD1' ' A' ' 32' ' ' TYR . 0.5 OUTLIER -162.95 137.79 6.53 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.4 -179.02 7.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 110.241 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.19 161.79 17.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -99.38 173.21 6.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.15 -35.22 64.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.353 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.91 -30.19 67.55 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 108.86 11.51 22.59 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.451 1.094 . . . . 0.0 111.08 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp -76.32 136.5 39.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 0.741 . . . . 0.0 109.336 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 48.6 m -78.61 132.73 37.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.429 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -134.05 143.93 48.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.57 ' CD1' ' HG3' ' A' ' 22' ' ' LYS . 73.0 m-85 -123.48 127.43 48.36 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.517 1.136 . . . . 0.0 110.964 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 21' ' ' ASP . 6.7 tp -74.13 110.6 8.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.541 HG22 ' CE2' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -123.84 145.76 30.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.09 . . . . 0.0 109.239 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.546 ' C ' ' CG ' ' A' ' 36' ' ' TRP . 1.9 mtm-85 -88.58 174.26 8.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 110.3 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.564 ' CH2' HG23 ' A' ' 16' ' ' VAL . 1.9 m95 -162.28 161.19 27.55 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.498 1.124 . . . . 0.0 107.996 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.9 mttt -64.5 141.79 58.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 109.212 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.27 -40.48 3.08 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.499 1.124 . . . . 0.0 110.988 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -73.18 115.24 12.28 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.52 0.776 . . . . 0.0 111.005 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -63.15 -156.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.15 . . . . 0.0 109.272 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.1 t -76.01 -48.54 20.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.943 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -90.68 24.2 2.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 110.248 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 44' ' ' ASP . 1.4 t0 -110.98 -29.45 7.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.346 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 43' ' ' ASP . 5.0 m-20 -39.34 152.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.7 p -118.69 -175.63 2.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.385 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.498 ' CH2' ' HB3' ' A' ' 21' ' ' ASP . 59.9 m95 -121.85 118.71 29.62 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 108.019 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -114.79 139.77 24.57 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.585 1.178 . . . . 0.0 110.337 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.448 ' O ' ' N ' ' A' ' 51' ' ' HIS . 18.2 Cg_endo -74.96 137.12 21.39 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.459 1.768 . . . . 0.0 110.988 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -40.71 -41.03 1.44 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -53.66 -44.57 69.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.34 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.448 ' N ' ' O ' ' A' ' 48' ' ' PRO . 15.4 m170 -76.75 -18.43 58.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.579 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 29.7 mt -94.8 65.16 2.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.1 m -79.03 141.37 15.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.341 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 65.53 16.71 10.64 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.555 1.159 . . . . 0.0 109.25 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.407 ' O ' ' C ' ' A' ' 56' ' ' GLU . 4.5 t -100.75 -15.08 17.79 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.507 1.129 . . . . 0.0 108.26 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 55' ' ' CYS . 10.9 mt-10 -37.26 -40.42 0.33 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.327 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -50.83 -56.1 13.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 110.275 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.569 ' CD2' HG12 ' A' ' 16' ' ' VAL . 44.7 m-85 -62.48 -53.41 55.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 110.973 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.519 HG21 ' CE1' ' A' ' 32' ' ' TYR . 10.6 mt -49.48 -41.79 16.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -60.47 -47.69 85.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 109.577 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -63.63 -25.56 68.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.545 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 61.9 t80 -83.71 -29.08 27.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 111.033 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -82.11 -31.31 30.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.269 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.425 ' HG3' ' N ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -75.73 -27.26 58.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 110.333 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.425 ' N ' ' HG3' ' A' ' 64' ' ' ARG . 1.9 mmm180 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.31 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.556 HG12 ' CD2' ' A' ' 58' ' ' TYR . 4.1 t -71.21 118.55 16.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.405 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 18.2 tt0 -75.47 -51.77 12.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.405 ' HB3' ' O ' ' A' ' 17' ' ' GLU . 15.6 ptp180 177.73 167.88 0.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.366 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.567 ' HB ' ' CD2' ' A' ' 62' ' ' PHE . 4.1 mm -96.08 130.31 44.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.218 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.405 ' HB ' ' CD2' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -109.71 -22.31 5.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.467 1.104 . . . . 0.0 109.246 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.491 ' HB3' ' CH2' ' A' ' 46' ' ' TRP . 14.9 t0 -161.82 169.75 20.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.57 ' HG3' ' CD1' ' A' ' 32' ' ' TYR . 3.8 tttm -153.79 139.97 18.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.453 1.095 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -158.65 -179.11 7.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.37 149.96 24.92 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.46 1.1 . . . . 0.0 109.326 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -78.6 179.85 6.87 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.541 1.15 . . . . 0.0 109.253 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.9 tmmm? -70.74 -37.75 73.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.255 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.27 -32.16 64.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 119.23 35.45 0.94 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -105.45 140.83 37.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 0.774 . . . . 0.0 109.259 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 89.1 m -68.13 122.87 19.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 110.353 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -118.5 139.84 50.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 110.324 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.57 ' CD1' ' HG3' ' A' ' 22' ' ' LYS . 51.9 m-85 -125.83 125.0 42.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.142 . . . . 0.0 111.054 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.425 HD12 ' NE1' ' A' ' 46' ' ' TRP . 6.4 tp -73.22 110.39 7.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 109.265 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.538 HG22 ' CE2' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -123.89 142.96 38.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.464 1.102 . . . . 0.0 109.262 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.541 ' O ' ' CG ' ' A' ' 36' ' ' TRP . 0.8 OUTLIER -84.88 176.13 8.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.331 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.552 ' CH2' HG21 ' A' ' 16' ' ' VAL . 2.8 m95 -162.4 151.17 15.0 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.4 pttt -68.99 154.89 41.29 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.72 -42.27 3.06 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.538 1.149 . . . . 0.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -83.88 157.88 21.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 0.764 . . . . 0.0 111.051 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.12 -157.34 0.19 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.6 p -86.49 -41.57 14.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.948 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -83.24 3.49 30.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.382 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -96.87 -11.12 25.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.454 ' OD1' ' N ' ' A' ' 44' ' ' ASP . 1.0 OUTLIER -42.43 141.62 0.95 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.311 179.915 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.446 ' OG1' ' NE1' ' A' ' 36' ' ' TRP . 70.8 p -112.21 166.39 11.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 110.38 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.491 ' CH2' ' HB3' ' A' ' 21' ' ' ASP . 61.2 m95 -108.78 124.84 51.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 108.026 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -118.63 137.19 24.59 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 110.244 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.433 ' O ' ' N ' ' A' ' 51' ' ' HIS . 18.2 Cg_endo -75.04 138.42 22.9 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.428 1.752 . . . . 0.0 110.96 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.91 -45.56 15.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.249 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -53.88 -28.64 37.56 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.433 ' N ' ' O ' ' A' ' 48' ' ' PRO . 19.0 m170 -90.67 -22.54 21.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.643 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 85.3 mt -86.9 54.1 3.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 109.325 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -72.15 144.3 13.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.148 . . . . 0.0 109.233 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 58.92 16.95 4.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 109.285 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 71.5 m -120.58 4.13 10.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.16 . . . . 0.0 108.286 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -51.77 -35.44 43.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 110.315 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -42.25 -62.51 0.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.556 ' CD2' HG12 ' A' ' 16' ' ' VAL . 31.3 m-85 -55.7 -52.39 64.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 111.031 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.563 HG21 ' CE1' ' A' ' 32' ' ' TYR . 30.2 mt -51.32 -49.75 29.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 19.1 m-70 -55.2 -48.83 73.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.621 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -60.82 -37.39 81.85 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.567 ' CD2' ' HB ' ' A' ' 19' ' ' ILE . 39.3 t80 -70.57 -28.94 65.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 111.044 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -85.87 -36.17 20.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.13 . . . . 0.0 109.346 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.435 ' HG3' ' N ' ' A' ' 65' ' ' ARG . 0.1 OUTLIER -78.29 -26.31 46.99 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.435 ' N ' ' HG3' ' A' ' 64' ' ' ARG . 1.9 mmm180 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 110.293 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.57 HG22 ' CH2' ' A' ' 36' ' ' TRP . 4.1 t -59.74 119.98 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.403 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 14.0 tt0 -75.75 -50.93 13.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 110.305 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.412 ' O ' ' HA ' ' A' ' 34' ' ' VAL . 14.6 ptp180 177.64 163.66 0.59 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.433 1.083 . . . . 0.0 110.286 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.574 ' HB ' ' CD1' ' A' ' 62' ' ' PHE . 4.4 mm -89.53 128.39 41.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -106.61 -14.36 9.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.49 ' HB3' ' CH2' ' A' ' 46' ' ' TRP . 13.2 t0 -170.71 168.91 7.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.588 ' HG3' ' CE1' ' A' ' 32' ' ' TYR . 0.6 OUTLIER -156.8 139.03 14.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 0.0 109.271 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.465 ' O ' ' CG ' ' A' ' 31' ' ' GLU . 0.5 OUTLIER -161.9 -178.37 6.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.436 1.085 . . . . 0.0 110.272 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -116.6 162.01 18.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 -99.62 169.78 9.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.73 -29.28 62.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.0 mttm -72.7 -34.41 67.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.165 . . . . 0.0 109.325 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 115.42 8.0 15.27 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.507 1.129 . . . . 0.0 111.028 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.2 mmmt -78.46 134.63 37.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.542 0.789 . . . . 0.0 109.293 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 20.9 m -77.65 129.34 35.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.422 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.602 ' OE2' ' CE3' ' A' ' 46' ' ' TRP . 8.7 pt-20 -123.49 149.12 45.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.323 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.588 ' CE1' ' HG3' ' A' ' 22' ' ' LYS . 51.9 m-85 -131.59 119.56 21.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.438 ' N ' ' O ' ' A' ' 21' ' ' ASP . 6.1 tp -70.96 112.96 7.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.55 HG21 ' CE2' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -117.27 157.05 18.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.579 ' O ' ' CG ' ' A' ' 36' ' ' TRP . 0.0 OUTLIER -96.57 175.86 6.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.32 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.579 ' CG ' ' O ' ' A' ' 35' ' ' ARG . 2.0 m95 -163.64 178.77 7.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.584 1.178 . . . . 0.0 107.996 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -123.89 161.24 25.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.79 -55.33 4.38 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.467 1.105 . . . . 0.0 111.052 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.635 ' CD2' ' O ' ' A' ' 40' ' ' ASP . 2.7 p90 -73.33 155.6 39.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 0.784 . . . . 0.0 110.971 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.635 ' O ' ' CD2' ' A' ' 39' ' ' TYR . 0.7 OUTLIER -59.75 144.99 46.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.2 t -67.25 -28.64 68.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.004 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -87.08 28.22 0.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.248 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 44' ' ' ASP . 0.2 OUTLIER -128.66 13.02 6.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.363 179.93 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -37.48 154.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.94 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -132.99 160.06 38.21 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.434 1.084 . . . . 0.0 110.37 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.602 ' CE3' ' OE2' ' A' ' 31' ' ' GLU . 62.2 m95 -112.76 109.3 18.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 108.027 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -102.2 137.68 19.52 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.329 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.415 ' O ' ' N ' ' A' ' 51' ' ' HIS . 18.2 Cg_endo -75.01 143.44 29.03 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.509 1.794 . . . . 0.0 111.005 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.32 -36.34 6.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 110.329 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -60.25 -32.81 71.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.239 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.415 ' N ' ' O ' ' A' ' 48' ' ' PRO . 26.1 m170 -79.39 -34.25 42.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.63 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 20.7 mt -80.78 68.33 6.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 69.0 t -84.39 136.28 23.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.357 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 69.38 8.56 6.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.351 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 16.2 m -109.48 18.59 20.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 108.334 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -52.46 -46.39 66.48 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.144 . . . . 0.0 110.327 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -41.17 -69.18 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.301 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.561 ' CD2' HG11 ' A' ' 16' ' ' VAL . 23.3 m-85 -41.86 -59.44 1.7 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.571 HG22 ' CE1' ' A' ' 32' ' ' TYR . 31.1 mt -52.4 -51.45 32.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.575 1.172 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -51.44 -62.5 1.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.59 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -50.99 -50.61 58.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.379 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.574 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 8.7 t80 -54.56 -40.0 68.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.99 -48.04 80.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.7 mmt85 -57.27 -57.51 12.29 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.446 1.092 . . . . 0.0 110.322 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.4 mmm180 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.409 1.068 . . . . 0.0 110.267 -179.972 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.543 HG12 ' CD2' ' A' ' 58' ' ' TYR . 3.9 t -72.36 116.28 14.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.342 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -70.68 -52.62 19.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.335 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 177.54 169.36 0.64 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.284 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.556 ' HB ' ' CD1' ' A' ' 62' ' ' PHE . 4.6 mm -97.58 129.31 47.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.442 ' HB ' ' CD2' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -108.16 -22.7 4.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 109.258 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.551 ' HB3' ' CH2' ' A' ' 46' ' ' TRP . 15.3 t0 -161.05 171.77 18.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.56 ' HG3' ' CD1' ' A' ' 32' ' ' TYR . 2.5 tttm -156.05 139.52 15.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -156.8 174.7 15.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.378 1.049 . . . . 0.0 110.344 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -118.69 157.18 27.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.454 ' ND2' ' OE2' ' A' ' 31' ' ' GLU . 28.9 m-20 -95.11 170.1 9.64 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.558 1.162 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.01 -33.0 64.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.67 -33.32 72.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.138 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 111.37 19.2 7.64 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.483 1.114 . . . . 0.0 110.956 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.37 135.81 34.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.556 0.798 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.549 HG22 ' CE2' ' A' ' 32' ' ' TYR . 51.4 m -76.95 122.11 24.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.095 . . . . 0.0 110.359 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.454 ' OE2' ' ND2' ' A' ' 25' ' ' ASN . 2.2 mp0 -120.63 124.88 46.32 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.514 1.134 . . . . 0.0 110.298 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.563 ' CE1' HG23 ' A' ' 59' ' ' ILE . 54.0 m-85 -109.55 126.37 53.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.991 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.442 ' CD2' ' HB ' ' A' ' 20' ' ' VAL . 4.4 tp -73.48 113.17 10.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.55 HG23 ' CE2' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -125.34 147.55 30.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.341 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.553 ' C ' ' CG ' ' A' ' 36' ' ' TRP . 10.5 mtm180 -90.84 175.38 7.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.262 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.553 ' CG ' ' C ' ' A' ' 35' ' ' ARG . 1.9 m95 -162.7 164.51 26.41 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.28 144.69 37.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.94 -38.57 3.17 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -89.05 114.1 25.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 0.776 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -51.34 178.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.404 ' O ' ' CG ' ' A' ' 44' ' ' ASP . 5.0 t -67.33 -34.08 76.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.049 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.54 6.83 39.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -107.62 -8.24 16.21 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.404 ' CG ' ' O ' ' A' ' 41' ' ' SER . 10.7 m-20 -40.06 156.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.586 1.179 . . . . 0.0 109.294 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 69.8 p -122.38 162.31 21.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.418 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.551 ' CH2' ' HB3' ' A' ' 21' ' ' ASP . 68.7 m95 -106.94 101.34 10.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.629 1.206 . . . . 0.0 108.02 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -94.58 149.23 36.21 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 0.0 110.356 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 159.67 41.14 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.542 1.811 . . . . 0.0 110.98 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -73.58 -27.62 61.41 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 110.238 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -72.68 -24.75 61.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 110.369 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -85.79 -28.62 24.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.553 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 45.3 mt -78.56 63.66 3.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 52.8 t -88.48 141.23 14.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.359 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 64.3 13.2 7.8 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 87.0 m -123.68 8.26 8.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 108.323 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -54.62 -28.56 47.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.31 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -44.61 -67.46 0.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.265 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.543 ' CD2' HG12 ' A' ' 16' ' ' VAL . 43.6 m-85 -49.41 -53.32 23.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.563 1.164 . . . . 0.0 110.941 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.563 HG23 ' CE1' ' A' ' 32' ' ' TYR . 21.1 mt -48.18 -45.84 13.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -59.55 -45.74 90.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.66 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -63.08 -36.25 82.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.285 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.556 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 61.3 t80 -72.18 -26.38 62.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.973 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -88.69 -30.99 18.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.248 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.436 ' HG3' ' N ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -85.07 -26.97 26.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.264 -179.909 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.436 ' N ' ' HG3' ' A' ' 64' ' ' ARG . 3.1 mmm180 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.277 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.234 0 N-CA-C 110.34 -0.245 . . . . 0.0 110.34 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.565 HG23 ' CH2' ' A' ' 36' ' ' TRP . 16.7 t -55.28 126.07 11.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.576 1.173 . . . . 0.0 109.272 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -85.55 -48.7 8.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 110.287 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 177.65 164.27 0.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.362 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.57 ' HB ' ' CD1' ' A' ' 62' ' ' PHE . 4.1 mm -93.52 127.68 45.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.577 1.173 . . . . 0.0 109.328 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -104.89 -15.58 8.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.556 1.16 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.449 ' N ' ' HB3' ' A' ' 33' ' ' LEU . 17.9 t0 -173.44 179.52 2.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.577 ' HG3' ' CD2' ' A' ' 32' ' ' TYR . 0.7 OUTLIER -172.27 131.7 0.62 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.236 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.4 ptp85 -150.94 179.85 7.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 110.289 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.446 ' CG ' ' HA2' ' A' ' 28' ' ' GLY . 19.1 ttpt -108.74 151.66 25.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.234 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -90.04 -179.9 5.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.06 -44.57 95.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.84 -29.23 70.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.349 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.446 ' HA2' ' CG ' ' A' ' 24' ' ' LYS . . . 111.57 24.12 5.42 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.487 1.117 . . . . 0.0 111.03 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.85 138.61 31.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 0.776 . . . . 0.0 109.358 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.527 HG21 ' CE1' ' A' ' 32' ' ' TYR . 16.0 m -84.09 123.53 30.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.125 . . . . 0.0 110.373 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -123.96 129.02 50.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 110.29 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.577 ' CD2' ' HG3' ' A' ' 22' ' ' LYS . 71.4 m-85 -109.83 130.92 55.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.449 ' HB3' ' N ' ' A' ' 21' ' ' ASP . 20.2 tp -75.27 107.82 7.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.551 HG21 ' CE2' ' A' ' 36' ' ' TRP . 0.2 OUTLIER -123.84 140.12 48.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.543 1.152 . . . . 0.0 109.319 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.523 ' C ' ' CG ' ' A' ' 36' ' ' TRP . 7.2 mmm180 -85.72 173.91 9.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.275 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.565 ' CH2' HG23 ' A' ' 16' ' ' VAL . 2.4 m95 -161.13 160.06 29.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 108.021 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.8 pttt -67.86 146.81 53.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.36 -43.08 3.17 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.485 1.116 . . . . 0.0 110.957 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -82.8 117.27 22.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 110.99 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -57.9 -167.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.0 t -75.33 -36.98 60.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.981 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -86.94 -3.92 59.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.57 1.169 . . . . 0.0 110.328 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.32 -14.67 25.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 109.266 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -40.7 159.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.115 . . . . 0.0 109.257 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.45 ' OG1' ' N ' ' A' ' 46' ' ' TRP . 0.8 OUTLIER -129.92 173.76 10.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.406 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.45 ' N ' ' OG1' ' A' ' 45' ' ' THR . 83.9 m95 -111.87 123.64 50.67 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.915 -1.142 . . . . 0.0 107.915 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -118.89 139.14 26.85 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 110.335 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.455 ' O ' ' N ' ' A' ' 51' ' ' HIS . 18.2 Cg_endo -74.99 134.79 18.26 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.448 1.762 . . . . 0.0 110.959 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -39.6 -46.89 1.87 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -49.66 -44.48 47.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.272 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.455 ' N ' ' O ' ' A' ' 48' ' ' PRO . 24.8 m170 -74.05 -22.17 59.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.57 1.169 . . . . 0.0 109.641 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 22.7 mt -91.6 66.49 5.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.085 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.9 m -79.11 143.46 12.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.242 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 63.12 16.28 9.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.417 ' O ' ' C ' ' A' ' 56' ' ' GLU . 5.0 t -100.73 -14.83 17.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 108.344 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 55' ' ' CYS . 10.4 mt-10 -36.78 -43.77 0.45 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 110.337 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -47.86 -56.72 6.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 110.273 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.462 ' CD2' HG11 ' A' ' 16' ' ' VAL . 46.7 m-85 -61.21 -54.62 41.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.57 1.169 . . . . 0.0 111.035 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.505 HG22 ' CZ ' ' A' ' 32' ' ' TYR . 12.9 mt -50.48 -54.5 8.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.593 1.183 . . . . 0.0 109.252 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -43.73 -62.86 0.97 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.593 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -51.75 -52.3 49.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.57 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 9.4 t80 -53.12 -40.24 64.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 110.975 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.6 -34.68 78.83 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -70.35 -59.62 2.75 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.53 1.144 . . . . 0.0 110.301 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.297 -0.261 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.57 HG23 ' CH2' ' A' ' 36' ' ' TRP . 11.2 t -61.59 122.77 13.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.413 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 11.5 tt0 -77.94 -49.85 13.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.413 ' HB3' ' O ' ' A' ' 17' ' ' GLU . 14.8 ptp180 177.68 167.26 0.68 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.107 . . . . 0.0 110.29 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.567 ' HB ' ' CD1' ' A' ' 62' ' ' PHE . 4.6 mm -96.12 128.19 47.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.421 1.076 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -104.38 -14.52 8.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.568 ' HB3' ' CH2' ' A' ' 46' ' ' TRP . 3.7 t0 -169.35 167.79 9.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.572 ' HG3' ' CD1' ' A' ' 32' ' ' TYR . 1.9 tttm -155.63 138.3 15.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -157.1 174.73 15.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 110.215 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -106.97 152.97 23.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -83.83 177.13 8.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.331 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.68 -37.26 79.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.118 . . . . 0.0 109.287 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -70.39 -36.16 73.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 122.08 38.23 0.61 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -105.18 139.53 39.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.571 0.807 . . . . 0.0 109.248 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 17.7 m -79.15 121.55 25.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.385 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -113.73 145.04 41.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.293 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.572 ' CD1' ' HG3' ' A' ' 22' ' ' LYS . 39.9 m-85 -130.38 113.2 14.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 111.016 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 21' ' ' ASP . 3.4 tp -67.93 116.22 8.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.58 1.175 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.53 HG22 ' CE2' ' A' ' 36' ' ' TRP . 0.2 OUTLIER -122.43 123.21 68.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.445 ' O ' ' CD ' ' A' ' 35' ' ' ARG . 0.1 OUTLIER -84.68 119.29 25.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.57 ' CH2' HG23 ' A' ' 16' ' ' VAL . 0.7 OUTLIER -108.83 175.61 5.4 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.45 161.14 28.9 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.574 1.171 . . . . 0.0 109.334 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.4 -51.5 3.95 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.503 1.127 . . . . 0.0 110.986 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -71.79 120.93 18.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 0.756 . . . . 0.0 111.039 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -50.84 -179.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.204 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.56 -47.53 72.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 109.943 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -89.52 20.55 3.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 110.24 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.6 -20.94 12.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.568 1.168 . . . . 0.0 109.246 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -40.03 153.47 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.564 1.165 . . . . 0.0 109.292 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 22.0 p -110.93 179.33 4.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.439 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.568 ' CH2' ' HB3' ' A' ' 21' ' ' ASP . 65.0 m95 -118.2 116.99 27.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 108.011 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.424 ' OE1' ' CZ2' ' A' ' 36' ' ' TRP . 5.8 mt-10 -114.13 134.1 22.26 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 110.24 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.44 ' O ' ' N ' ' A' ' 51' ' ' HIS . 18.4 Cg_endo -74.98 143.67 29.41 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.542 1.811 . . . . 0.0 111.042 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.6 -49.58 13.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 110.29 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -50.69 -25.81 4.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 110.32 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.44 ' N ' ' O ' ' A' ' 48' ' ' PRO . 14.2 m170 -89.99 -31.05 17.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.551 1.157 . . . . 0.0 109.622 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 57.2 mt -81.92 54.71 2.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.348 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.1 m -69.17 145.74 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.332 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 57.53 19.07 5.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 84.9 m -123.91 10.44 8.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 108.316 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -53.64 -35.97 61.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -45.53 -67.36 0.29 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.326 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.453 ' CD2' HG11 ' A' ' 16' ' ' VAL . 32.3 m-85 -47.04 -59.37 3.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 110.994 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.562 HG21 ' CE1' ' A' ' 32' ' ' TYR . 16.8 mt -45.97 -47.67 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -57.53 -46.44 83.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.38 1.05 . . . . 0.0 109.593 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -61.6 -51.92 66.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.567 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 7.3 t80 -54.3 -39.79 67.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.429 1.081 . . . . 0.0 110.934 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.33 -51.99 67.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.338 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.0 mmt85 -55.84 -55.4 32.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 0.0 110.239 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.1 mmm180 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 -179.953 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.575 HG21 ' CH2' ' A' ' 36' ' ' TRP . 4.4 t -50.87 121.02 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -76.93 -49.39 15.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.415 ' O ' ' HA ' ' A' ' 34' ' ' VAL . 14.3 ptp180 178.35 164.45 0.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.255 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.572 ' HB ' ' CD1' ' A' ' 62' ' ' PHE . 4.9 mm -92.33 127.79 44.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.125 . . . . 0.0 109.247 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -104.57 -18.21 6.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.452 ' N ' ' HB3' ' A' ' 33' ' ' LEU . 25.0 t0 -169.92 177.17 4.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.431 1.082 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.582 ' HG3' ' CE1' ' A' ' 32' ' ' TYR . 0.3 OUTLIER -163.78 137.69 5.68 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.435 1.084 . . . . 0.0 109.29 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.8 mtt180 -158.84 -179.51 8.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.312 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.2 ttmt -119.03 158.8 25.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.575 1.172 . . . . 0.0 109.355 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.1 m-20 -95.62 179.18 5.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.261 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -36.06 79.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.604 1.19 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.31 -34.55 76.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 115.31 13.87 8.69 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.8 mmmt -78.31 134.74 37.45 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.472 0.748 . . . . 0.0 109.281 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.481 HG22 ' CE2' ' A' ' 32' ' ' TYR . 5.8 m -78.96 129.34 34.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 110.38 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.1 mp0 -126.3 140.01 52.86 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.435 1.084 . . . . 0.0 110.32 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.582 ' CE1' ' HG3' ' A' ' 22' ' ' LYS . 72.9 m-85 -124.08 127.43 47.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.452 ' HB3' ' N ' ' A' ' 21' ' ' ASP . 17.4 tp -73.14 109.11 6.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.343 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.555 HG23 ' CE2' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -121.35 144.36 30.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.145 . . . . 0.0 109.334 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.575 ' O ' ' CD2' ' A' ' 36' ' ' TRP . 0.0 OUTLIER -85.21 176.74 8.17 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 0.0 110.258 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.575 ' CD2' ' O ' ' A' ' 35' ' ' ARG . 3.9 m95 -162.09 156.82 22.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 108.048 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -94.15 142.52 27.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.164 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 110.69 -56.16 0.47 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.451 1.095 . . . . 0.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.619 ' CE2' ' O ' ' A' ' 40' ' ' ASP . 0.5 OUTLIER -86.49 172.48 10.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.405 0.709 . . . . 0.0 110.996 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.619 ' O ' ' CE2' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -105.52 134.11 49.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.403 1.064 . . . . 0.0 109.272 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 40' ' ' ASP . 11.0 t -38.62 -31.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.375 1.047 . . . . 0.0 110.011 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 40' ' ' ASP . 9.2 mt-10 -49.87 -30.18 9.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.271 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.83 42.38 1.42 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.566 1.166 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.65 171.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.215 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.454 ' OG1' ' NE1' ' A' ' 36' ' ' TRP . 6.7 p -141.75 132.55 25.77 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.514 1.134 . . . . 0.0 110.35 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 89.9 m95 -97.23 88.27 4.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.566 1.166 . . . . 0.0 108.036 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -85.58 135.27 38.55 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 110.283 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.437 ' O ' ' N ' ' A' ' 51' ' ' HIS . 18.2 Cg_endo -75.0 138.51 23.12 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.464 1.77 . . . . 0.0 110.945 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.416 ' HG3' ' CE2' ' A' ' 32' ' ' TYR . 0.3 OUTLIER -39.63 -47.02 1.91 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -49.13 -45.52 43.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.263 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.437 ' N ' ' O ' ' A' ' 48' ' ' PRO . 25.9 m170 -72.94 -22.87 60.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 109.579 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 21.0 mt -91.85 70.38 5.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.415 HG12 ' N ' ' A' ' 54' ' ' ASN . 84.5 t -80.13 143.05 13.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.415 ' N ' HG12 ' A' ' 53' ' ' VAL . 5.1 m120 62.79 14.86 7.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.402 ' O ' ' C ' ' A' ' 56' ' ' GLU . 6.7 t -95.42 -14.43 23.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 108.234 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 55' ' ' CYS . 0.9 OUTLIER -37.7 -46.97 0.94 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -45.83 -54.32 8.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.33 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.533 ' CD2' HG13 ' A' ' 16' ' ' VAL . 36.3 m-85 -63.76 -57.65 9.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 0.0 110.975 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.57 HG22 ' CE1' ' A' ' 32' ' ' TYR . 9.3 mt -48.26 -46.45 13.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.427 1.08 . . . . 0.0 109.294 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -51.48 -62.88 1.35 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.565 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -51.99 -46.29 64.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.572 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 18.9 t80 -58.85 -39.47 81.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.569 1.168 . . . . 0.0 110.959 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -61.23 -40.34 93.65 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -56.93 -54.1 50.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.25 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.0 mmm180 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.312 -179.972 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.9 p -109.41 114.4 28.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 0.75 . . . . 0.0 110.026 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.9 p -113.73 103.56 11.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 110.012 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.89 75.37 0.02 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.465 1.103 . . . . 0.0 111.082 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.2 p -110.92 129.94 55.73 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.461 0.742 . . . . 0.0 110.038 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -66.16 149.33 50.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.138 . . . . 0.0 109.922 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.73 112.14 0.51 Allowed Glycine 0 CA--C 1.532 1.101 0 O-C-N 124.509 1.131 . . . . 0.0 110.974 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 48.04 86.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.573 0.807 . . . . 0.0 110.982 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -119.9 -67.91 0.95 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 49.72 90.19 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.159 . . . . 0.0 109.98 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 44.54 93.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 110.307 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -105.24 158.09 16.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 110.333 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.565 ' O ' ' CD1' ' A' ' 14' ' ' TYR . 0.1 OUTLIER -53.58 -73.41 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.553 1.158 . . . . 0.0 109.257 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.565 ' CD1' ' O ' ' A' ' 13' ' ' LEU . 5.0 m-85 -159.88 133.46 7.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.979 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.95 131.34 43.85 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.113 . . . . 0.0 110.287 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.582 HG22 ' CH2' ' A' ' 36' ' ' TRP . 6.0 t -56.48 120.7 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.4 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 9.1 tt0 -80.43 -51.4 8.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.272 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.4 ' HB3' ' O ' ' A' ' 17' ' ' GLU . 10.0 ptm180 177.4 168.39 0.62 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.574 ' HB ' ' CD1' ' A' ' 62' ' ' PHE . 3.8 mm -97.55 132.61 41.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.137 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.425 ' HB ' ' CD2' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -112.71 -15.03 10.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -168.26 169.99 10.41 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.458 1.099 . . . . 0.0 109.296 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.581 ' HG3' ' CD1' ' A' ' 32' ' ' TYR . 0.6 OUTLIER -161.6 137.51 7.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.297 -179.932 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -159.47 174.62 14.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.288 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.3 ttpt -105.15 149.99 25.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.41 1.069 . . . . 0.0 109.318 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.405 ' O ' ' N ' ' A' ' 28' ' ' GLY . 5.1 m-20 -85.73 156.54 20.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.51 -21.14 5.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.273 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -79.71 -31.17 41.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.547 1.155 . . . . 0.0 109.327 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 25' ' ' ASN . . . 114.44 21.9 5.33 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.472 1.107 . . . . 0.0 110.992 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 52.3 mmtt -100.44 139.99 35.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 0.778 . . . . 0.0 109.27 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.521 HG22 ' CE2' ' A' ' 32' ' ' TYR . 3.8 m -81.56 124.87 29.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 110.389 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -122.38 132.77 54.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.342 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.581 ' CD1' ' HG3' ' A' ' 22' ' ' LYS . 71.2 m-85 -113.39 129.56 56.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 111.016 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.425 ' CD2' ' HB ' ' A' ' 20' ' ' VAL . 7.0 tp -75.83 109.62 9.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.546 HG23 ' CE2' ' A' ' 36' ' ' TRP . 0.2 OUTLIER -124.81 144.48 34.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.55 ' O ' ' CG ' ' A' ' 36' ' ' TRP . 0.2 OUTLIER -88.17 172.87 9.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.219 -179.916 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.582 ' CH2' HG22 ' A' ' 16' ' ' VAL . 2.2 m95 -162.04 159.26 26.1 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.4 mttm -61.91 140.96 58.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.59 -38.87 3.16 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.499 1.124 . . . . 0.0 111.045 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -82.11 112.78 19.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 0.762 . . . . 0.0 111.055 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -61.04 179.87 0.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.297 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.6 p -61.21 -41.59 97.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.047 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -88.22 10.46 19.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.232 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.77 -14.62 14.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.413 ' OD1' ' N ' ' A' ' 44' ' ' ASP . 0.9 OUTLIER -40.35 148.11 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 109.248 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 30.1 p -113.86 178.66 4.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.425 1.078 . . . . 0.0 110.39 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.419 ' NE1' HD11 ' A' ' 33' ' ' LEU . 62.4 m95 -118.19 120.21 37.01 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -118.48 137.71 25.03 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.279 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.436 ' O ' ' N ' ' A' ' 51' ' ' HIS . 18.2 Cg_endo -75.01 136.26 20.14 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.49 1.784 . . . . 0.0 111.032 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -40.08 -30.6 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 110.315 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.408 ' N ' ' C ' ' A' ' 48' ' ' PRO . 7.4 tt0 -60.37 -48.75 80.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 110.365 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.436 ' N ' ' O ' ' A' ' 48' ' ' PRO . 17.6 m170 -68.6 -25.16 64.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.617 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 19.8 mt -85.53 71.87 10.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 72.2 t -90.37 132.27 35.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 70.49 21.94 5.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.586 1.179 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 82.5 m -115.15 0.12 13.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 108.269 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -39.58 -47.4 1.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.234 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -42.17 -68.38 0.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.285 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.569 ' CD2' HG13 ' A' ' 16' ' ' VAL . 36.5 m-85 -45.3 -61.83 1.5 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.569 HG23 ' CE1' ' A' ' 32' ' ' TYR . 23.6 mt -47.44 -53.94 3.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.428 1.08 . . . . 0.0 109.341 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -47.44 -57.25 5.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.654 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -54.45 -49.51 69.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.592 1.183 . . . . 0.0 109.293 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.574 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 12.2 t80 -57.88 -40.13 79.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.96 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -63.29 -46.04 88.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.34 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.75 -48.25 63.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.281 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.3 mmm180 -51.73 -58.42 6.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.575 1.172 . . . . 0.0 110.344 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -55.47 -62.06 1.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.571 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 26.0 m -39.28 145.96 0.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.363 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -115.01 117.31 30.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.365 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt 55.67 103.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -160.26 -57.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.563 1.165 . . . . 0.0 110.251 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.57 141.26 29.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.269 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -89.92 145.07 25.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 110.256 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.3 t -88.9 148.4 23.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.035 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -135.7 157.91 23.52 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.438 1.086 . . . . 0.0 110.973 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -179.31 4.87 Favored 'Trans proline' 0 C--N 1.361 1.233 0 O-C-N 124.446 1.761 . . . . 0.0 110.977 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.47 110.54 22.61 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.472 1.108 . . . . 0.0 109.957 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.87 -60.52 2.28 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.113 . . . . 0.0 110.012 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.455 1.097 . . . . 0.0 110.989 -179.997 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 t -101.39 155.15 18.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 0.774 . . . . 0.0 110.037 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -169.29 -58.6 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.482 1.114 . . . . 0.0 109.991 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -38.21 122.1 1.14 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.455 1.097 . . . . 0.0 110.994 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.1 p -168.05 165.34 13.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 0.0 110.031 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.8 p -172.74 146.69 1.66 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 110.014 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.44 -163.11 32.44 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.504 1.128 . . . . 0.0 111.008 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.8 ttt -119.68 110.54 16.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 0.76 . . . . 0.0 111.077 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -150.48 166.99 28.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.292 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.7 t -108.78 96.2 6.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.948 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 70.2 141.48 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 110.259 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -120.22 161.33 21.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.338 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.596 ' O ' ' CD1' ' A' ' 14' ' ' TYR . 0.1 OUTLIER -54.27 -66.74 0.34 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.22 -179.937 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.596 ' CD1' ' O ' ' A' ' 13' ' ' LEU . 11.0 m-85 -160.86 135.35 7.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 111.028 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.89 124.5 31.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 110.299 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.591 HG23 ' CH2' ' A' ' 36' ' ' TRP . 6.4 t -51.54 119.97 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.223 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.417 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 18.8 tt0 -80.41 -52.13 8.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.266 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.417 ' HB3' ' O ' ' A' ' 17' ' ' GLU . 8.7 ptp180 177.24 167.12 0.59 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.458 1.099 . . . . 0.0 110.327 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.574 ' HB ' ' CD1' ' A' ' 62' ' ' PHE . 4.1 mm -95.54 131.89 41.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.418 ' HB ' ' CD2' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -111.67 -18.34 7.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.271 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.429 ' HB3' ' CH2' ' A' ' 46' ' ' TRP . 12.5 t0 -165.6 170.08 14.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.581 ' HG3' ' CD1' ' A' ' 32' ' ' TYR . 1.0 OUTLIER -158.57 139.21 12.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.4 mtt85 -162.23 174.77 12.42 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.453 1.096 . . . . 0.0 110.339 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.9 ttpt -104.57 152.0 22.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 29' ' ' LYS . 1.5 m-20 -84.38 171.67 12.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -34.81 78.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.241 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.13 -30.71 67.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 114.41 29.61 2.67 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.486 1.117 . . . . 0.0 110.965 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 25' ' ' ASN . 0.1 OUTLIER -101.8 137.5 40.02 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.471 0.747 . . . . 0.0 109.309 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 17.5 m -80.18 122.19 26.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.429 1.081 . . . . 0.0 110.423 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -121.76 143.39 49.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.581 ' CD1' ' HG3' ' A' ' 22' ' ' LYS . 69.8 m-85 -120.8 129.14 53.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 111.005 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.42 HD11 ' NE1' ' A' ' 46' ' ' TRP . 7.2 tp -74.0 110.13 8.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.562 1.164 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.54 HG23 ' CE2' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -123.6 145.22 30.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 O-C-N 124.432 1.083 . . . . 0.0 109.318 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.545 ' C ' ' CG ' ' A' ' 36' ' ' TRP . 0.0 OUTLIER -88.67 175.43 7.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.423 1.077 . . . . 0.0 110.341 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.591 ' CH2' HG23 ' A' ' 16' ' ' VAL . 2.0 m95 -162.44 164.34 27.18 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.4 pttt -72.82 131.37 42.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.566 1.166 . . . . 0.0 109.357 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.77 -51.45 0.91 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.482 1.114 . . . . 0.0 110.95 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -64.5 112.91 3.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 0.747 . . . . 0.0 110.973 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.29 -176.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 t -66.97 -35.96 81.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 110.03 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -97.93 20.7 11.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.24 -8.59 12.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -41.09 157.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.232 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.442 ' OG1' ' NE1' ' A' ' 36' ' ' TRP . 63.8 p -122.57 162.83 21.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.423 1.077 . . . . 0.0 110.397 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.429 ' CH2' ' HB3' ' A' ' 21' ' ' ASP . 65.0 m95 -109.41 111.02 22.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 107.993 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -107.17 136.85 19.46 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.133 . . . . 0.0 110.305 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.44 ' O ' ' N ' ' A' ' 51' ' ' HIS . 18.2 Cg_endo -75.03 135.12 18.6 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.492 1.785 . . . . 0.0 110.978 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -39.94 -30.79 0.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.197 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.405 ' N ' ' C ' ' A' ' 48' ' ' PRO . 6.6 tt0 -59.7 -48.76 80.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.44 ' N ' ' O ' ' A' ' 48' ' ' PRO . 19.4 m170 -70.39 -27.07 64.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.585 1.178 . . . . 0.0 109.578 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.462 ' CD2' HG22 ' A' ' 16' ' ' VAL . 20.9 mt -83.09 67.88 9.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.257 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 79.1 t -84.91 142.11 13.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.323 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 60.13 16.1 5.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 73.7 m -111.05 6.82 21.18 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.553 1.158 . . . . 0.0 108.264 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -46.62 -46.66 19.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.425 1.078 . . . . 0.0 110.288 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -40.94 -68.25 0.19 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 110.255 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.564 ' CD2' HG11 ' A' ' 16' ' ' VAL . 35.6 m-85 -43.59 -61.12 1.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 111.061 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.561 HG22 ' CE1' ' A' ' 32' ' ' TYR . 15.1 mt -49.61 -56.73 2.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -44.75 -59.22 2.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.416 1.073 . . . . 0.0 109.588 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -53.4 -51.41 62.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.351 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.574 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 8.8 t80 -54.9 -39.93 69.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 110.943 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -65.11 -47.45 77.11 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 -57.44 -63.91 1.07 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 110.272 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.2 mmt180 -47.42 -54.75 10.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.325 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 -41.23 -68.47 0.18 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 109.559 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 94.3 m -72.08 165.51 24.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.403 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -115.75 86.64 2.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -133.45 148.64 51.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -72.54 108.87 5.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.46 1.1 . . . . 0.0 110.285 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.29 116.41 19.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -65.86 90.96 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.309 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 32.2 t -178.77 93.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.949 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 143.89 158.41 7.57 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.452 1.095 . . . . 0.0 110.981 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 78.99 2.78 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.498 1.789 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.93 138.87 56.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 110.035 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 64.58 93.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.61 1.194 . . . . 0.0 109.99 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.082 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 -179.988 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.8 m -115.85 151.48 35.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 0.751 . . . . 0.0 110.004 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.3 p -145.15 141.07 28.42 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.594 1.184 . . . . 0.0 109.991 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.49 71.71 0.46 Allowed Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.484 1.115 . . . . 0.0 111.068 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.78 80.28 1.86 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.435 0.727 . . . . 0.0 110.016 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.9 p -105.79 129.3 54.01 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.501 1.126 . . . . 0.0 109.935 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.62 -172.61 20.61 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.454 1.096 . . . . 0.0 110.959 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.3 mpp? 49.4 91.66 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.47 0.747 . . . . 0.0 111.005 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -173.64 154.0 2.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.346 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 45.3 t -151.05 -55.18 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.983 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -152.11 28.16 0.59 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -81.87 176.34 9.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 110.295 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -76.93 -78.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -133.14 -165.76 1.66 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -127.75 140.72 51.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.193 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.577 HG22 ' CH2' ' A' ' 36' ' ' TRP . 2.8 t -69.62 114.99 7.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.269 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.443 ' OE2' ' NH2' ' A' ' 18' ' ' ARG . 10.7 tt0 -68.33 -53.52 23.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.443 ' NH2' ' OE2' ' A' ' 17' ' ' GLU . 9.1 ptp85 177.33 167.22 0.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.567 1.167 . . . . 0.0 110.265 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.572 ' HB ' ' CD1' ' A' ' 62' ' ' PHE . 3.7 mm -96.05 132.44 40.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 0.0 109.356 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.424 ' HB ' ' CD2' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -112.32 -17.52 8.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -165.15 169.42 16.12 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.459 1.099 . . . . 0.0 109.279 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.569 ' HG3' ' CE1' ' A' ' 32' ' ' TYR . 0.6 OUTLIER -166.98 134.68 2.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.08 174.08 16.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 110.303 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.17 151.41 21.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.108 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.412 ' N ' ' O ' ' A' ' 29' ' ' LYS . 27.2 m-20 -92.07 171.41 9.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -59.25 -32.6 70.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.245 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.42 ' N ' ' HG3' ' A' ' 26' ' ' LYS . 7.7 mttp -75.18 -16.38 60.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 109.342 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.32 12.77 40.91 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.477 1.111 . . . . 0.0 111.034 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.412 ' O ' ' N ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -82.61 139.88 33.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 0.801 . . . . 0.0 109.26 -179.918 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 16.2 m -88.63 122.53 32.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 110.371 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -117.72 137.93 52.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.373 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.569 ' CE1' ' HG3' ' A' ' 22' ' ' LYS . 45.0 m-85 -116.9 126.23 52.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.432 HD12 ' NE1' ' A' ' 46' ' ' TRP . 7.7 tp -74.48 109.35 7.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.208 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.547 HG22 ' CE2' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -124.02 143.18 38.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.425 1.078 . . . . 0.0 109.312 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.549 ' O ' ' CG ' ' A' ' 36' ' ' TRP . 20.2 mmm-85 -86.91 175.7 8.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.333 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.577 ' CH2' HG22 ' A' ' 16' ' ' VAL . 2.5 m95 -162.4 155.37 19.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 108.032 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.4 mttm -65.54 141.95 58.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.33 -28.28 8.37 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.428 1.08 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -91.23 131.87 36.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 0.789 . . . . 0.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -70.02 -166.8 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.254 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.13 -43.25 43.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 110.007 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -88.33 14.61 9.15 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.526 1.141 . . . . 0.0 110.314 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.55 -13.28 14.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.09 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.406 ' N ' ' OD1' ' A' ' 44' ' ' ASP . 0.3 OUTLIER -40.68 152.19 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.448 ' OG1' ' NE1' ' A' ' 36' ' ' TRP . 82.5 p -115.46 169.81 8.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.442 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.432 ' NE1' HD12 ' A' ' 33' ' ' LEU . 49.2 m95 -113.31 121.97 46.01 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -118.3 134.89 23.37 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.279 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.442 ' O ' ' N ' ' A' ' 51' ' ' HIS . 18.2 Cg_endo -75.08 136.27 20.01 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.535 1.808 . . . . 0.0 110.987 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.61 -36.53 0.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.325 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -57.76 -44.63 86.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.297 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.442 ' N ' ' O ' ' A' ' 48' ' ' PRO . 20.9 m170 -72.88 -30.58 64.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.6 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 20.0 mt -79.48 71.85 6.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.272 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.2 t -94.47 141.53 14.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 66.72 10.91 7.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 19.8 m -120.82 19.91 11.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 108.321 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -59.55 -31.49 69.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.257 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -49.1 -65.45 0.56 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.286 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.557 ' CD2' HG13 ' A' ' 16' ' ' VAL . 36.2 m-85 -48.52 -56.4 8.43 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.517 1.136 . . . . 0.0 111.037 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.56 HG21 ' CE1' ' A' ' 32' ' ' TYR . 52.3 mt -51.33 -51.72 22.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.44 1.087 . . . . 0.0 109.385 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -51.0 -53.83 29.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.566 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -56.05 -54.87 39.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.572 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 5.5 t80 -53.53 -45.48 69.82 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -57.31 -49.81 74.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.355 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.4 mmt180 -55.82 -54.91 38.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.303 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.5 mmm180 -53.73 -54.06 43.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 110.243 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -55.52 -66.55 0.4 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.592 1.182 . . . . 0.0 109.577 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 96.9 m -55.24 154.89 5.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 110.381 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -81.47 122.61 27.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.346 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.3 mmtt -158.27 147.04 19.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -95.76 82.35 3.57 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.476 1.11 . . . . 0.0 110.243 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.36 130.22 50.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.259 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -137.93 121.87 17.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 110.273 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.8 t -113.2 -62.03 1.65 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.005 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 141.17 157.79 7.3 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.559 1.162 . . . . 0.0 111.006 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 163.49 35.12 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.493 1.786 . . . . 0.0 110.974 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.51 119.9 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.42 1.075 . . . . 0.0 110.012 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 87.3 p -141.17 166.81 23.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.022 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.535 1.147 . . . . 0.0 111.044 179.944 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.22 -67.78 0.65 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 0.76 . . . . 0.0 110.0 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.2 p -170.33 169.84 7.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.025 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.43 165.0 0.09 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.498 1.124 . . . . 0.0 110.98 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.0 p -149.95 -58.09 0.19 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.49 0.759 . . . . 0.0 110.062 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.53 170.39 18.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.022 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.8 -144.22 16.78 Favored Glycine 0 CA--C 1.528 0.896 0 O-C-N 124.526 1.141 . . . . 0.0 110.964 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER 58.36 165.14 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.389 0.699 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.412 ' HB2' ' ND2' ' A' ' 54' ' ' ASN . . . 62.46 137.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.72 -75.7 0.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.967 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -150.84 127.36 10.77 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.546 1.154 . . . . 0.0 110.342 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -122.64 175.52 6.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.33 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.455 ' O ' ' CD1' ' A' ' 14' ' ' TYR . 0.1 OUTLIER -68.07 -52.3 36.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.257 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.455 ' CD1' ' O ' ' A' ' 13' ' ' LEU . 4.9 m-85 -152.13 -167.14 2.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.955 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -109.15 128.01 54.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.288 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.575 HG22 ' CH2' ' A' ' 36' ' ' TRP . 4.9 t -66.23 119.59 11.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.411 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 13.6 tt0 -75.84 -51.68 12.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 110.316 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.423 ' CZ ' ' HB3' ' A' ' 18' ' ' ARG . 3.7 ptp180 177.61 166.41 0.65 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 110.303 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.574 ' HB ' ' CD2' ' A' ' 62' ' ' PHE . 4.2 mm -95.46 132.24 40.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.286 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.432 ' HB ' ' CD2' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -112.37 -15.61 9.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.338 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -167.67 171.83 9.82 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.546 1.154 . . . . 0.0 109.352 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.571 ' HG3' ' CD1' ' A' ' 32' ' ' TYR . 0.8 OUTLIER -167.14 135.67 2.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.251 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.7 -179.68 6.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.263 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.8 ttpt -112.94 162.18 16.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.345 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -111.72 177.91 4.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.271 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.47 -28.05 58.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.0 mtmt -66.67 -40.95 88.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 107.23 17.53 11.42 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.538 1.149 . . . . 0.0 111.004 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.8 mmtp -95.82 139.07 32.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 0.798 . . . . 0.0 109.272 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.464 HG21 ' CE2' ' A' ' 32' ' ' TYR . 19.0 m -74.77 126.13 30.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.407 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -120.91 142.99 49.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.348 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.571 ' CD1' ' HG3' ' A' ' 22' ' ' LYS . 51.4 m-85 -125.6 126.26 44.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.936 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.432 ' CD2' ' HB ' ' A' ' 20' ' ' VAL . 8.1 tp -74.45 110.36 8.68 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.496 1.122 . . . . 0.0 109.222 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.54 HG23 ' CE2' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -124.44 142.79 40.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 109.268 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.55 ' O ' ' CG ' ' A' ' 36' ' ' TRP . 9.9 mtt180 -85.25 175.63 8.82 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.441 1.088 . . . . 0.0 110.3 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.575 ' CH2' HG22 ' A' ' 16' ' ' VAL . 3.4 m95 -162.18 147.89 13.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.095 . . . . 0.0 108.049 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.5 pttt -68.74 154.22 42.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 109.298 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.84 -40.94 3.06 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.555 1.16 . . . . 0.0 111.014 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -82.22 149.77 27.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 0.748 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -75.08 -177.3 3.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.582 1.176 . . . . 0.0 109.337 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 85.1 p -70.79 -35.57 72.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 110.024 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -92.9 17.72 10.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.325 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -109.15 -12.49 14.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.23 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -40.27 144.5 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.589 1.181 . . . . 0.0 109.338 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 60.8 p -114.82 161.22 18.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 110.454 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.431 ' NE1' HD11 ' A' ' 33' ' ' LEU . 47.1 m95 -104.02 117.62 34.73 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -111.58 136.37 21.06 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.334 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.443 ' O ' ' N ' ' A' ' 51' ' ' HIS . 18.1 Cg_endo -75.11 136.57 20.35 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.518 1.799 . . . . 0.0 110.941 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -40.79 -39.98 1.23 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.454 1.096 . . . . 0.0 110.325 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.468 ' O ' ' CG2' ' A' ' 53' ' ' VAL . 5.1 tt0 -55.14 -45.57 75.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.35 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.443 ' N ' ' O ' ' A' ' 48' ' ' PRO . 23.9 m170 -69.8 -34.88 74.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 0.0 109.636 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 18.0 mt -75.5 69.91 2.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.426 1.079 . . . . 0.0 109.328 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.468 ' CG2' ' O ' ' A' ' 50' ' ' GLN . 83.3 t -95.08 137.9 22.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.38 1.05 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.412 ' ND2' ' HB2' ' A' ' 9' ' ' ALA . 3.4 m-80 71.95 6.3 5.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 42.9 m -122.16 13.77 10.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.426 1.079 . . . . 0.0 108.38 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.07 -26.15 59.9 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.441 1.088 . . . . 0.0 110.313 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -48.67 -67.36 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.391 1.057 . . . . 0.0 110.229 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.564 ' CD2' HG13 ' A' ' 16' ' ' VAL . 39.5 m-85 -46.93 -54.31 10.33 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.544 HG22 ' CE1' ' A' ' 32' ' ' TYR . 65.3 mt -49.36 -57.25 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.413 1.071 . . . . 0.0 109.256 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -47.09 -51.98 16.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.612 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -59.39 -51.27 70.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.236 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.574 ' CD2' ' HB ' ' A' ' 19' ' ' ILE . 5.2 t80 -54.45 -42.48 70.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.13 . . . . 0.0 110.952 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -62.08 -50.69 70.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 109.276 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.8 mmt180 -57.68 -52.93 63.4 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.556 1.16 . . . . 0.0 110.339 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 -55.32 -50.1 70.47 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.455 1.097 . . . . 0.0 110.296 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -51.19 -69.91 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.652 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 16.2 p -72.02 178.37 3.81 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.589 1.181 . . . . 0.0 110.52 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -74.24 173.15 10.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 110.245 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.46 174.58 7.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.336 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.7 tm0? -151.04 142.35 23.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.415 1.072 . . . . 0.0 110.336 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.48 157.83 31.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 56.93 163.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.263 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 20.0 m -138.58 -57.57 0.63 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.985 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -117.1 114.06 2.89 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.533 1.146 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -35.03 3.37 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.467 1.772 . . . . 0.0 110.98 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 63.9 m -44.65 -55.63 5.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 110.018 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.87 -56.9 11.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.565 1.165 . . . . 0.0 110.017 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 O-C-N 124.526 1.141 . . . . 0.0 111.014 -179.995 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.3 m 57.99 164.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 0.787 . . . . 0.0 110.048 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t -170.76 -57.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 0.0 109.994 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.46 127.05 0.01 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.95 96.51 0.16 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 0.762 . . . . 0.0 109.954 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -169.78 157.65 7.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 110.006 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.19 103.28 0.33 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.467 1.104 . . . . 0.0 110.972 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -166.51 111.98 0.81 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 0.756 . . . . 0.0 110.976 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -163.99 159.86 21.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.422 1.076 . . . . 0.0 109.337 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.0 m -65.16 -48.94 71.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.574 1.171 . . . . 0.0 109.966 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 54.2 tt0 -178.49 133.55 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.266 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -104.72 166.11 10.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 110.293 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.601 ' O ' ' CD1' ' A' ' 14' ' ' TYR . 0.1 OUTLIER -53.93 -62.79 1.43 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.601 ' CD1' ' O ' ' A' ' 13' ' ' LEU . 9.8 m-85 -160.99 134.77 6.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.46 1.1 . . . . 0.0 111.075 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -114.27 138.85 49.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.243 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.576 HG22 ' CH2' ' A' ' 36' ' ' TRP . 5.2 t -57.8 121.4 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 109.257 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.407 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 9.7 tt0 -80.83 -50.81 9.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.262 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.407 ' HB3' ' O ' ' A' ' 17' ' ' GLU . 2.2 ptm85 177.49 169.3 0.63 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.305 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.579 ' HB ' ' CD1' ' A' ' 62' ' ' PHE . 3.9 mm -96.99 128.53 48.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.447 ' HB ' ' CD2' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -107.41 -17.83 7.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.296 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.523 ' HB3' ' CH2' ' A' ' 46' ' ' TRP . 4.0 t0 -166.68 172.45 10.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.549 ' HG3' ' CD1' ' A' ' 32' ' ' TYR . 0.4 OUTLIER -162.27 138.12 7.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.9 ptp180 -154.63 172.7 17.44 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 110.328 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.9 ttpt -109.26 150.46 27.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.362 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.418 ' ND2' ' HG3' ' A' ' 31' ' ' GLU . 4.9 m-20 -86.47 159.05 19.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -53.51 -32.4 50.25 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.418 ' N ' ' HG3' ' A' ' 26' ' ' LYS . 0.6 OUTLIER -70.5 -29.4 65.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.294 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 112.32 22.72 5.74 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.503 1.127 . . . . 0.0 110.96 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.9 mmtt -95.39 140.33 30.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.591 0.818 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.486 HG22 ' CE2' ' A' ' 32' ' ' TYR . 24.4 m -80.31 135.25 36.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.457 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.418 ' HG3' ' ND2' ' A' ' 25' ' ' ASN . 1.5 mt-10 -132.15 125.43 31.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.421 1.076 . . . . 0.0 110.267 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.555 ' CE1' HG23 ' A' ' 59' ' ' ILE . 46.9 m-85 -110.73 123.72 50.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 110.933 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.447 ' CD2' ' HB ' ' A' ' 20' ' ' VAL . 4.7 tp -73.47 114.74 12.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.255 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.549 HG21 ' CE2' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -126.66 144.3 37.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.385 1.053 . . . . 0.0 109.33 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.512 ' C ' ' CG ' ' A' ' 36' ' ' TRP . 1.7 mtt180 -88.49 170.78 10.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.6 1.187 . . . . 0.0 110.259 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.576 ' CH2' HG22 ' A' ' 16' ' ' VAL . 1.6 m95 -160.09 166.13 30.44 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -73.81 141.79 46.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.602 1.189 . . . . 0.0 109.303 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.0 -41.43 2.91 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -80.08 113.26 18.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 0.783 . . . . 0.0 111.018 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.79 -171.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.69 -36.89 76.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.582 1.176 . . . . 0.0 110.043 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -92.63 4.13 54.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.276 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.99 -14.4 17.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -44.92 155.31 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.45 ' OG1' ' N ' ' A' ' 46' ' ' TRP . 1.1 t -121.74 174.13 7.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.374 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.523 ' CH2' ' HB3' ' A' ' 21' ' ' ASP . 42.5 m95 -114.98 133.96 55.59 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -126.74 138.92 33.53 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 110.312 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.409 ' O ' ' N ' ' A' ' 51' ' ' HIS . 18.0 Cg_endo -75.06 139.77 24.51 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.466 1.772 . . . . 0.0 110.975 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -45.89 -52.92 10.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 110.293 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -51.27 -23.63 3.71 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.487 1.117 . . . . 0.0 110.331 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.409 ' N ' ' O ' ' A' ' 48' ' ' PRO . 6.6 m170 -92.51 -25.99 18.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 109.621 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.409 ' N ' ' O ' ' A' ' 49' ' ' GLU . 63.3 mt -83.82 53.08 2.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.373 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -69.99 145.23 13.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.152 . . . . 0.0 109.197 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 60.78 15.68 6.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 42.1 m -123.92 3.99 8.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 108.332 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.8 -37.23 18.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.241 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -44.97 -68.66 0.18 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 110.27 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.557 ' CD2' HG11 ' A' ' 16' ' ' VAL . 33.9 m-85 -45.23 -55.17 6.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.979 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.555 HG23 ' CE1' ' A' ' 32' ' ' TYR . 37.7 mt -50.89 -56.99 3.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -46.31 -52.83 11.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 109.519 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -58.08 -52.58 64.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.339 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.579 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 12.6 t80 -55.5 -38.79 69.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 111.046 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -64.13 -47.21 80.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.412 1.07 . . . . 0.0 109.298 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.93 -47.34 64.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.337 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.425 ' HB3' ' NH1' ' A' ' 65' ' ' ARG . 0.6 OUTLIER -53.5 -57.25 11.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.312 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 20.5 t-80 -60.28 -63.27 1.36 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.577 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.6 m -48.16 151.81 0.94 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.443 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -86.9 114.42 23.52 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.551 1.157 . . . . 0.0 110.258 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.4 161.87 32.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.427 1.08 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -76.87 135.04 38.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 110.268 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.59 74.28 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -156.9 151.84 26.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.581 1.176 . . . . 0.0 110.273 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.7 p -177.71 153.27 0.85 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 110.04 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -124.16 152.46 17.32 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.494 1.121 . . . . 0.0 110.976 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 125.86 9.6 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.521 1.8 . . . . 0.0 111.001 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 82.5 p -101.9 156.71 17.35 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.416 1.072 . . . . 0.0 110.033 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.1 t -110.42 103.76 12.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.435 1.084 . . . . 0.0 110.073 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.051 0 O-C-N 124.493 1.12 . . . . 0.0 110.915 -179.946 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -128.82 -58.41 1.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 0.774 . . . . 0.0 110.03 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.5 m -150.48 -58.33 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.597 1.186 . . . . 0.0 109.996 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.72 -109.68 2.68 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.489 1.118 . . . . 0.0 111.029 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 74.75 -57.98 0.59 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 0.745 . . . . 0.0 109.997 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.67 127.45 53.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.014 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.36 -81.25 0.4 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.467 1.104 . . . . 0.0 110.975 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 59.3 149.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 0.732 . . . . 0.0 111.022 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 44.12 91.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.352 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.73 117.78 20.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.421 1.076 . . . . 0.0 110.063 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 60.91 128.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 110.289 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -107.66 172.82 6.62 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 110.243 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.591 ' O ' ' CD1' ' A' ' 14' ' ' TYR . 0.1 OUTLIER -68.25 -56.36 8.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.591 ' CD1' ' O ' ' A' ' 13' ' ' LEU . 34.9 m-85 -163.06 138.26 6.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 111.066 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -129.6 140.28 51.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.301 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.584 HG21 ' CH2' ' A' ' 36' ' ' TRP . 8.6 t -53.84 121.39 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.169 . . . . 0.0 109.306 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.452 ' OE2' ' NH1' ' A' ' 18' ' ' ARG . 11.1 tt0 -76.45 -50.5 13.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 110.257 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.452 ' NH1' ' OE2' ' A' ' 17' ' ' GLU . 9.4 ptp85 177.71 165.22 0.65 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.49 1.119 . . . . 0.0 110.334 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.567 ' HB ' ' CD1' ' A' ' 62' ' ' PHE . 4.0 mm -94.48 129.83 44.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -107.77 -14.04 9.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.462 ' N ' ' HB3' ' A' ' 33' ' ' LEU . 5.7 t70 -174.88 177.02 2.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.147 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.58 ' HG3' ' CD2' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -169.45 132.57 1.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.8 mtp180 -151.12 -179.15 7.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.282 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -104.72 148.28 26.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.252 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -81.77 173.28 12.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.75 -33.49 76.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -74.06 -28.13 61.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 114.41 21.8 5.38 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.427 1.08 . . . . 0.0 111.025 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.3 mmtp -92.77 140.93 29.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 0.755 . . . . 0.0 109.282 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 42.4 m -82.78 131.8 35.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.09 . . . . 0.0 110.398 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.3 mp0 -131.51 146.25 52.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.301 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.58 ' CD2' ' HG3' ' A' ' 22' ' ' LYS . 73.0 m-85 -125.61 131.87 52.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.462 ' HB3' ' N ' ' A' ' 21' ' ' ASP . 17.9 tp -75.28 107.81 7.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.346 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.552 HG21 ' CE2' ' A' ' 36' ' ' TRP . 0.2 OUTLIER -125.14 139.99 49.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.259 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.546 ' O ' ' CG ' ' A' ' 36' ' ' TRP . 3.0 mtm-85 -86.66 175.0 8.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.242 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.584 ' CH2' HG21 ' A' ' 16' ' ' VAL . 2.1 m95 -162.26 160.06 26.38 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.1 mmtt -64.95 156.53 30.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.398 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.98 -51.55 4.1 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.527 1.142 . . . . 0.0 110.976 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -64.64 142.69 58.34 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.567 0.804 . . . . 0.0 110.961 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -71.33 -166.92 0.2 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 109.317 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 t -79.65 -44.74 20.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.996 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -89.63 12.71 16.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.43 1.082 . . . . 0.0 110.274 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -96.87 -12.98 22.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.364 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 12.7 p30 -40.09 142.45 0.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.345 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 7.4 p -107.49 -176.01 2.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.113 . . . . 0.0 110.397 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 92.0 m95 -121.28 97.82 5.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.117 . . . . 0.0 108.044 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -95.79 136.79 22.06 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.462 1.101 . . . . 0.0 110.323 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' A' ' 51' ' ' HIS . 18.0 Cg_endo -75.07 135.72 19.32 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.479 1.778 . . . . 0.0 110.982 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.423 ' HG3' ' CE1' ' A' ' 32' ' ' TYR . 0.3 OUTLIER -38.86 -46.3 1.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -49.68 -46.55 50.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.57 1.169 . . . . 0.0 110.285 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.446 ' N ' ' O ' ' A' ' 48' ' ' PRO . 28.9 m170 -71.28 -24.28 62.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.085 . . . . 0.0 109.623 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 18.5 mt -89.5 67.99 7.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.419 HG13 ' N ' ' A' ' 54' ' ' ASN . 82.9 t -78.03 141.67 15.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.419 ' N ' HG13 ' A' ' 53' ' ' VAL . 4.1 m120 61.88 23.36 13.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.112 . . . . 0.0 109.252 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.416 ' O ' ' C ' ' A' ' 56' ' ' GLU . 8.0 t -104.74 -13.85 15.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 108.223 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 55' ' ' CYS . 3.0 mt-10 -37.18 -43.54 0.51 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 110.272 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -48.41 -60.18 2.88 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.503 1.127 . . . . 0.0 110.334 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -58.57 -55.55 33.63 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.457 1.098 . . . . 0.0 111.051 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.535 HG21 ' CE2' ' A' ' 32' ' ' TYR . 11.7 mt -49.88 -54.31 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -45.24 -57.93 3.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 109.591 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -54.98 -49.18 72.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.567 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 14.1 t80 -57.52 -38.05 74.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -63.49 -41.86 98.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 109.258 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.93 -51.46 69.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.231 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.9 mmm-85 -50.69 -57.77 7.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.32 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -53.07 -64.3 0.86 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.155 . . . . 0.0 109.612 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 66.4 p -61.23 177.18 0.38 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.583 1.177 . . . . 0.0 110.407 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -120.77 166.64 13.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.081 . . . . 0.0 110.278 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -138.75 78.68 1.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.426 1.079 . . . . 0.0 109.295 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 8.8 mp0 64.3 -77.58 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.125 . . . . 0.0 110.285 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -127.67 118.43 23.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -158.55 77.22 0.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.286 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 93.2 p -142.9 166.94 23.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 109.994 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 160.69 157.37 8.67 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.51 1.131 . . . . 0.0 111.064 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 129.24 12.14 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.437 1.756 . . . . 0.0 111.014 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.56 91.38 0.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.017 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 36.2 t -92.96 107.7 19.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.02 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.493 1.121 . . . . 0.0 110.996 179.968 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.075 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.15 103.64 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 0.794 . . . . 0.0 110.001 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.4 p -164.59 -58.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.048 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.63 118.19 0.05 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -122.54 84.2 2.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 0.802 . . . . 0.0 109.99 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m -104.48 165.02 11.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.991 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.01 -155.3 20.65 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.469 1.106 . . . . 0.0 111.075 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.5 tmm? -144.6 118.99 9.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 0.789 . . . . 0.0 110.973 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -157.04 84.75 0.94 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 72.9 m 63.76 163.82 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.979 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -101.58 98.41 8.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 110.295 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.85 155.71 37.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.275 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.596 ' O ' ' CD1' ' A' ' 14' ' ' TYR . 0.1 OUTLIER -53.43 -67.45 0.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.334 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.596 ' CD1' ' O ' ' A' ' 13' ' ' LEU . 6.0 m-85 -159.72 133.32 7.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.403 1.064 . . . . 0.0 111.029 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -85.35 124.79 32.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 110.288 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.56 HG12 ' CD2' ' A' ' 58' ' ' TYR . 5.5 t -54.8 120.15 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 109.287 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.418 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 17.0 tt0 -80.18 -51.95 8.35 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.456 1.098 . . . . 0.0 110.254 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.418 ' HB3' ' O ' ' A' ' 17' ' ' GLU . 15.6 ptp180 177.15 164.66 0.53 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 110.348 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.573 ' HB ' ' CD1' ' A' ' 62' ' ' PHE . 4.4 mm -92.75 132.66 36.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.422 1.076 . . . . 0.0 109.349 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.424 ' HB ' ' CD2' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -112.62 -14.3 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.476 ' HB3' ' CH2' ' A' ' 46' ' ' TRP . 17.1 t0 -169.98 169.06 8.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.564 ' HG3' ' CD1' ' A' ' 32' ' ' TYR . 0.6 OUTLIER -160.41 130.37 5.23 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.504 1.127 . . . . 0.0 109.247 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.0 ptt180 -153.11 -179.05 7.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.303 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -116.91 155.61 28.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.237 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -91.9 178.29 5.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.15 -34.06 73.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.42 1.075 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -69.75 -32.56 71.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.331 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 110.7 15.45 11.06 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.3 mmmt -80.9 136.35 36.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 0.785 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 54.4 m -78.63 128.96 34.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 110.371 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -129.64 137.69 50.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 110.34 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.564 ' CD1' ' HG3' ' A' ' 22' ' ' LYS . 60.6 m-85 -117.88 124.17 47.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 110.922 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.424 ' CD2' ' HB ' ' A' ' 20' ' ' VAL . 6.2 tp -71.94 111.35 7.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.254 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.554 HG22 ' CE2' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -120.99 151.57 24.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.358 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.559 ' C ' ' CG ' ' A' ' 36' ' ' TRP . 0.3 OUTLIER -95.52 176.38 6.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.262 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.559 ' CG ' ' C ' ' A' ' 35' ' ' ARG . 1.6 m95 -162.75 175.61 11.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.159 . . . . 0.0 107.933 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -80.03 144.33 33.31 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.41 -42.26 3.13 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.47 1.106 . . . . 0.0 111.004 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -80.44 118.11 21.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 0.767 . . . . 0.0 111.02 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -51.19 178.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.484 ' OG ' ' CZ ' ' A' ' 35' ' ' ARG . 45.6 m -67.37 -29.87 69.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.962 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -95.24 20.08 9.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.258 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 44' ' ' ASP . 0.8 OUTLIER -112.65 -14.39 13.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.271 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.427 ' OD1' ' N ' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -40.21 126.84 2.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.41 ' CG2' ' HE1' ' A' ' 36' ' ' TRP . 6.9 t -83.67 -175.87 6.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 110.39 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.476 ' CH2' ' HB3' ' A' ' 21' ' ' ASP . 76.3 m95 -123.41 100.55 6.88 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -102.25 136.7 19.38 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 110.305 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.445 ' O ' ' N ' ' A' ' 51' ' ' HIS . 18.5 Cg_endo -74.95 139.5 24.5 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.436 1.756 . . . . 0.0 111.039 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.98 -28.18 0.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.402 ' N ' ' C ' ' A' ' 48' ' ' PRO . 2.6 tt0 -65.21 -44.12 89.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.251 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.445 ' N ' ' O ' ' A' ' 48' ' ' PRO . 20.7 m170 -73.43 -29.59 62.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 109.59 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.441 ' CD2' HG22 ' A' ' 16' ' ' VAL . 25.1 mt -81.51 67.32 7.42 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.472 1.108 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 72.8 t -81.99 142.71 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 22.7 m-20 55.89 27.29 10.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 59.5 m -121.66 2.68 10.11 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.451 1.094 . . . . 0.0 108.281 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.44 -38.23 8.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.429 1.08 . . . . 0.0 110.293 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -42.34 -66.34 0.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 110.307 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.56 ' CD2' HG12 ' A' ' 16' ' ' VAL . 43.6 m-85 -52.24 -59.93 3.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.963 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.504 HG22 ' CE1' ' A' ' 32' ' ' TYR . 25.0 mt -45.43 -51.08 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -49.89 -59.71 3.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.561 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -53.6 -51.49 62.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.138 . . . . 0.0 109.288 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.573 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 10.5 t80 -55.24 -39.46 69.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 111.065 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -64.02 -36.52 84.25 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.513 1.133 . . . . 0.0 109.254 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.3 mmt85 -70.04 -58.03 4.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.255 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.47 -40.2 62.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 110.302 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -71.85 -64.09 1.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.598 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 64.2 m -55.6 121.87 10.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 110.381 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -80.97 85.44 6.25 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.488 1.118 . . . . 0.0 110.304 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.79 165.26 12.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.225 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 -77.54 146.2 36.48 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.454 1.096 . . . . 0.0 110.286 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 66.09 113.72 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.123 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -164.79 139.69 5.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.277 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 97.2 p -85.31 158.7 20.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.029 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -118.1 -147.49 8.37 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.469 1.106 . . . . 0.0 111.014 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -40.43 0.92 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.563 1.823 . . . . 0.0 110.985 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 39.5 m -49.17 112.27 0.6 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.983 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.41 88.86 0.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.042 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.501 1.125 . . . . 0.0 110.983 -179.993 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.0 p -153.61 138.32 16.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 0.783 . . . . 0.0 109.952 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 43.68 91.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.982 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.55 -168.45 12.25 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.546 1.154 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.7 p -176.53 87.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 0.754 . . . . 0.0 109.958 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.2 t -132.13 130.89 41.74 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.476 1.11 . . . . 0.0 109.964 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.9 76.37 0.12 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.536 1.148 . . . . 0.0 110.997 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 22.3 mtt -125.24 163.7 21.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 0.788 . . . . 0.0 111.035 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 75.41 -62.08 0.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.603 1.189 . . . . 0.0 109.346 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 66.9 m -69.54 137.94 52.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.029 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -139.3 82.53 1.89 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 110.285 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.0 161.08 3.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.29 -53.23 60.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.086 . . . . 0.0 109.342 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -144.25 -166.64 2.42 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.49 1.118 . . . . 0.0 110.99 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -100.54 133.24 45.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.302 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.579 HG21 ' CH2' ' A' ' 36' ' ' TRP . 7.5 t -64.5 121.98 14.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.413 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 20.1 tt0 -83.28 -51.03 7.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.345 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.413 ' HB3' ' O ' ' A' ' 17' ' ' GLU . 12.2 ptp180 177.52 165.68 0.62 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.57 1.169 . . . . 0.0 110.402 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.573 ' HB ' ' CD1' ' A' ' 62' ' ' PHE . 4.0 mm -94.95 131.81 40.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.431 ' HB ' ' CD2' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -111.27 -18.43 7.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.356 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.45 ' HB3' ' CH2' ' A' ' 46' ' ' TRP . 20.0 t0 -164.99 171.88 13.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.573 ' HG3' ' CD1' ' A' ' 32' ' ' TYR . 0.3 OUTLIER -161.49 132.73 5.36 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.438 1.086 . . . . 0.0 109.266 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.93 171.7 17.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.087 . . . . 0.0 110.282 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.1 ttpp -106.81 151.62 24.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.425 ' N ' ' O ' ' A' ' 29' ' ' LYS . 1.9 m-20 -85.31 165.29 17.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.145 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.75 -29.74 68.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.4 -29.21 62.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.544 1.152 . . . . 0.0 109.341 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 113.02 24.67 4.77 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.506 1.129 . . . . 0.0 110.979 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 25' ' ' ASN . 0.1 OUTLIER -98.39 137.22 37.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 0.789 . . . . 0.0 109.343 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.476 HG21 ' CE2' ' A' ' 32' ' ' TYR . 12.9 m -80.86 131.21 35.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 110.362 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -130.24 130.86 45.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.34 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.573 ' CD1' ' HG3' ' A' ' 22' ' ' LYS . 68.3 m-85 -111.55 128.01 55.9 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.461 1.1 . . . . 0.0 110.993 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.431 ' CD2' ' HB ' ' A' ' 20' ' ' VAL . 6.8 tp -73.69 111.04 8.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.551 HG21 ' CE2' ' A' ' 36' ' ' TRP . 0.2 OUTLIER -126.15 144.59 35.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.153 . . . . 0.0 109.3 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.539 ' O ' ' CG ' ' A' ' 36' ' ' TRP . 0.0 OUTLIER -85.84 174.52 9.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.237 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.579 ' CH2' HG21 ' A' ' 16' ' ' VAL . 3.6 m95 -161.51 165.0 29.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 107.99 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -75.22 138.3 41.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 0.0 109.278 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.26 -37.44 3.41 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.554 1.159 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -84.06 115.13 22.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 0.774 . . . . 0.0 111.011 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -53.42 -178.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.9 t -65.72 -41.67 91.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.122 . . . . 0.0 110.069 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -85.26 2.25 44.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 110.25 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -98.57 -8.64 26.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -40.32 144.69 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.368 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.441 ' OG1' ' NE1' ' A' ' 36' ' ' TRP . 72.5 p -110.64 165.78 11.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 110.422 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.45 ' CH2' ' HB3' ' A' ' 21' ' ' ASP . 64.0 m95 -110.29 116.75 32.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 108.001 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -114.51 135.79 22.31 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.267 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.43 ' O ' ' N ' ' A' ' 51' ' ' HIS . 18.1 Cg_endo -74.97 137.48 21.83 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.515 1.797 . . . . 0.0 111.012 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.99 -31.53 0.12 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.537 1.148 . . . . 0.0 110.311 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -60.01 -49.31 78.16 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.527 1.142 . . . . 0.0 110.334 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.43 ' N ' ' O ' ' A' ' 48' ' ' PRO . 16.5 m170 -69.24 -20.73 63.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.655 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 22.9 mt -90.51 67.49 6.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.409 1.068 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 71.3 t -82.55 145.28 8.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 31.5 m-20 52.94 23.82 3.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 109.274 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 85.0 m -116.28 -0.13 12.69 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.49 1.118 . . . . 0.0 108.263 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -41.81 -39.22 1.7 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.327 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -44.16 -68.79 0.17 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.454 1.096 . . . . 0.0 110.321 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.561 ' CD2' HG13 ' A' ' 16' ' ' VAL . 38.2 m-85 -46.36 -61.84 1.62 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.555 HG22 ' CE1' ' A' ' 32' ' ' TYR . 64.1 mt -46.4 -53.12 2.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -47.86 -61.82 1.77 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.535 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -51.16 -48.89 61.76 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.451 1.094 . . . . 0.0 109.269 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.573 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 12.1 t80 -58.04 -39.23 77.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.981 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 59' ' ' ILE . 1.0 OUTLIER -67.2 -37.32 83.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.89 -52.29 66.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 110.285 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -53.39 -55.8 21.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.257 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -54.4 -66.06 0.46 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.492 1.12 . . . . 0.0 109.552 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 26.5 m -54.26 150.04 9.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.4 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -56.77 156.61 6.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.292 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.31 166.17 33.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 63.7 155.75 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.135 . . . . 0.0 110.328 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.92 153.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -172.6 161.43 4.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 110.256 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -52.96 100.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.086 . . . . 0.0 110.012 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -173.3 -161.57 23.81 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -53.22 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.508 1.794 . . . . 0.0 111.0 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.28 147.29 1.97 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 110.036 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.3 t -54.34 -58.66 6.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.957 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.506 1.128 . . . . 0.0 110.978 -179.933 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.96 108.17 13.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 0.77 . . . . 0.0 110.049 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.1 m -160.79 149.38 16.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.039 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.8 149.48 5.21 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.53 1.144 . . . . 0.0 110.988 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.4 p -176.12 159.98 2.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 0.779 . . . . 0.0 110.017 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.5 m 60.11 115.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 110.022 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.55 149.87 5.53 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.478 1.111 . . . . 0.0 111.028 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.1 ttt -171.04 144.08 2.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 0.767 . . . . 0.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -88.03 158.24 18.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.085 . . . . 0.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.9 t -64.9 -40.22 94.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.582 1.176 . . . . 0.0 109.991 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -176.63 87.23 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 110.314 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -102.66 157.29 17.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.85 -51.4 67.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -146.92 -166.87 2.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 110.981 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -112.29 131.13 55.68 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.463 1.102 . . . . 0.0 110.292 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.566 HG11 ' CD2' ' A' ' 58' ' ' TYR . 5.2 t -55.06 122.96 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -81.43 -49.64 10.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.331 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.3 ptp180 177.88 164.93 0.67 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 0.0 110.323 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.577 ' HB ' ' CD2' ' A' ' 62' ' ' PHE . 4.4 mm -93.6 129.46 43.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.262 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -107.41 -12.34 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.443 ' N ' ' HB3' ' A' ' 33' ' ' LEU . 24.9 t0 -174.23 179.12 1.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.329 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.566 ' HG3' ' CE1' ' A' ' 32' ' ' TYR . 1.6 tttt -169.38 128.43 1.0 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.412 ' NH1' ' HB3' ' A' ' 23' ' ' ARG . 2.6 mtp-105 -150.53 -178.95 6.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 110.351 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -104.64 148.98 25.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.589 1.181 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -76.36 -179.86 5.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.324 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.17 -36.71 72.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.583 1.177 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.42 -39.05 71.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 126.08 42.59 0.3 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.514 1.134 . . . . 0.0 110.966 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.5 mmtm -114.15 141.47 47.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 0.797 . . . . 0.0 109.339 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 52.9 m -76.24 130.27 37.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 110.353 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -129.1 140.8 51.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.25 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.566 ' CE1' ' HG3' ' A' ' 22' ' ' LYS . 49.8 m-85 -122.27 127.56 50.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.966 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.443 ' HB3' ' N ' ' A' ' 21' ' ' ASP . 17.2 tp -73.65 109.02 6.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 109.358 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.554 HG22 ' CE2' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -124.7 137.77 56.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.267 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.539 ' C ' ' CG ' ' A' ' 36' ' ' TRP . 6.7 mmm-85 -84.26 176.49 8.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.278 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.554 ' CE2' HG22 ' A' ' 34' ' ' VAL . 2.3 m95 -161.72 157.01 23.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.584 1.177 . . . . 0.0 107.998 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.7 mmtt -64.94 156.91 29.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.115 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.04 -51.02 4.28 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.476 1.11 . . . . 0.0 111.063 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -89.39 140.64 29.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 0.747 . . . . 0.0 111.029 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 43' ' ' ASP . 3.3 m-20 -94.47 171.12 9.0 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.535 1.147 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.7 t -45.97 -56.83 4.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.059 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -51.79 -21.05 2.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.401 1.063 . . . . 0.0 110.319 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 40' ' ' ASP . 26.3 m-20 -113.41 42.11 2.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.257 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.5 p30 -83.77 176.08 9.2 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.412 1.07 . . . . 0.0 109.339 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.5 p -136.17 168.8 18.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.424 1.078 . . . . 0.0 110.39 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 74.1 m95 -118.42 102.03 8.62 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.546 1.154 . . . . 0.0 107.975 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -99.95 134.6 20.82 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.095 . . . . 0.0 110.335 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.408 ' O ' ' N ' ' A' ' 51' ' ' HIS . 18.5 Cg_endo -74.95 142.53 28.15 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.537 1.809 . . . . 0.0 111.051 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -46.45 -50.27 17.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.262 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -50.8 -25.05 3.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 110.315 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.408 ' N ' ' O ' ' A' ' 48' ' ' PRO . 19.1 m170 -91.03 -26.11 19.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.574 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 49' ' ' GLU . 74.2 mt -85.29 53.57 2.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -69.3 142.76 15.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.438 1.087 . . . . 0.0 109.238 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 59.32 18.36 6.63 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 80.4 m -120.49 9.97 11.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.583 1.177 . . . . 0.0 108.305 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -56.0 -33.45 64.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -45.18 -69.01 0.15 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.509 1.131 . . . . 0.0 110.301 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.566 ' CD2' HG11 ' A' ' 16' ' ' VAL . 38.6 m-85 -49.68 -49.39 47.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 111.046 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.565 HG23 ' CE1' ' A' ' 32' ' ' TYR . 82.7 mt -52.58 -59.37 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.339 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -45.11 -51.51 10.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.577 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -58.42 -52.21 66.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.424 1.077 . . . . 0.0 109.336 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.577 ' CD2' ' HB ' ' A' ' 19' ' ' ILE . 10.3 t80 -56.8 -39.66 74.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 111.019 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.22 -49.0 77.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.143 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.49 -46.4 70.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 110.323 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.3 mmm180 -53.65 -56.14 19.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.311 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -53.39 -62.4 1.68 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.581 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 76.6 p -121.31 122.51 40.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.579 1.175 . . . . 0.0 110.443 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 70' ' ' GLN . 55.1 mt-10 -50.03 -55.42 14.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 69.77 -69.26 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' ' 68' ' ' GLU . 8.6 pt20 -173.13 152.29 2.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 110.301 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.433 ' O ' ' CB ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER 64.28 140.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.309 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.433 ' CB ' ' O ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER 81.21 100.09 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 110.303 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 31.3 p -91.36 -55.15 3.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.011 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 89.29 -140.18 15.57 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.532 1.145 . . . . 0.0 111.077 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 58.76 5.01 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.425 1.75 . . . . 0.0 111.033 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.57 112.65 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 0.0 109.999 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.99 110.91 4.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 110.02 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.463 1.102 . . . . 0.0 110.942 179.988 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.7 p -108.48 158.16 17.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 0.749 . . . . 0.0 109.992 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.2 t -139.45 117.53 11.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.531 1.144 . . . . 0.0 110.006 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.58 159.05 24.36 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.519 1.137 . . . . 0.0 110.995 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.5 m -127.99 -55.98 1.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 0.733 . . . . 0.0 110.018 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.4 m 61.58 165.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 110.001 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.24 111.13 0.86 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.509 1.131 . . . . 0.0 110.959 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -156.78 101.65 1.98 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 0.791 . . . . 0.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -176.93 -60.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.266 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -103.68 107.73 18.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.041 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.01 78.91 2.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 110.33 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -70.2 168.51 15.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.275 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.551 ' C ' ' CG ' ' A' ' 14' ' ' TYR . 0.1 OUTLIER -55.69 -68.38 0.21 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.101 . . . . 0.0 109.285 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.551 ' CG ' ' C ' ' A' ' 13' ' ' LEU . 12.1 m-85 -161.27 135.69 7.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -78.68 122.14 25.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 110.272 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.562 HG23 ' CH2' ' A' ' 36' ' ' TRP . 4.3 t -55.84 121.22 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.404 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 12.6 tt0 -82.27 -51.28 8.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 110.267 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.404 ' HB3' ' O ' ' A' ' 17' ' ' GLU . 15.4 ptp180 177.58 165.61 0.63 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.573 1.171 . . . . 0.0 110.334 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.571 ' HB ' ' CD1' ' A' ' 62' ' ' PHE . 4.0 mm -94.19 131.22 41.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.345 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.423 ' HB ' ' CD2' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -110.97 -19.23 7.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.264 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -162.06 168.61 22.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.086 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.564 ' HG3' ' CD1' ' A' ' 32' ' ' TYR . 0.7 OUTLIER -167.77 134.31 2.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.243 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.94 175.79 13.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.29 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.471 ' CG ' ' HA2' ' A' ' 28' ' ' GLY . 3.1 ttpt -100.81 150.14 23.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.169 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 35.9 m-20 -92.59 -179.85 5.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.36 -40.7 98.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.572 1.17 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 31.3 mttp -71.4 -10.86 60.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.471 ' HA2' ' CG ' ' A' ' 24' ' ' LYS . . . 93.1 15.54 51.28 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -80.25 139.13 36.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 0.758 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.436 HG23 ' CE2' ' A' ' 32' ' ' TYR . 12.7 m -86.23 122.42 30.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.133 . . . . 0.0 110.37 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -115.27 142.66 46.37 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.452 1.095 . . . . 0.0 110.305 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.564 ' CD1' ' HG3' ' A' ' 22' ' ' LYS . 42.5 m-85 -123.91 122.49 38.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.596 1.185 . . . . 0.0 110.94 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.429 HD12 ' NE1' ' A' ' 46' ' ' TRP . 7.0 tp -72.82 109.61 6.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.553 HG21 ' CE2' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -122.49 141.04 44.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.552 ' O ' ' CG ' ' A' ' 36' ' ' TRP . 22.3 mtm180 -83.27 176.64 9.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.256 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.562 ' CH2' HG23 ' A' ' 16' ' ' VAL . 3.3 m95 -162.17 149.47 13.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 108.04 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.17 148.78 39.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.34 -51.46 4.18 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.49 1.119 . . . . 0.0 110.961 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -55.29 124.61 17.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 0.737 . . . . 0.0 111.007 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.92 -175.04 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.25 -44.93 82.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.937 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.75 22.87 3.34 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 110.274 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -110.63 -18.5 13.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.097 . . . . 0.0 109.276 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -42.58 147.1 0.3 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 47.8 p -118.12 160.01 22.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.401 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.429 ' NE1' HD12 ' A' ' 33' ' ' LEU . 38.8 m95 -102.05 119.05 38.17 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -109.82 131.33 22.0 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.524 1.14 . . . . 0.0 110.321 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.437 ' O ' ' N ' ' A' ' 51' ' ' HIS . 18.3 Cg_endo -74.92 136.01 19.99 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.515 1.797 . . . . 0.0 111.029 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.32 -41.12 2.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -54.18 -41.08 68.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.332 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.437 ' N ' ' O ' ' A' ' 48' ' ' PRO . 16.8 m170 -76.85 -32.24 57.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.587 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 26.2 mt -78.28 65.85 3.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 48.6 t -87.36 138.39 19.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.255 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 68.32 9.91 7.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 26.5 m -118.36 19.77 13.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 108.335 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.83 -34.97 73.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 110.232 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -44.42 -64.31 0.71 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 110.314 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.54 ' CD2' HG12 ' A' ' 16' ' ' VAL . 43.6 m-85 -48.81 -61.3 2.12 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.453 1.096 . . . . 0.0 110.986 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.554 HG21 ' CE1' ' A' ' 32' ' ' TYR . 11.5 mt -48.37 -41.71 11.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.254 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -61.61 -47.22 86.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.602 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -61.92 -45.47 93.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.162 . . . . 0.0 109.395 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.571 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 16.7 t80 -60.49 -38.89 85.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.42 1.075 . . . . 0.0 111.016 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.18 -48.57 75.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.425 1.078 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.8 mmt180 -58.02 -50.74 72.38 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.57 1.168 . . . . 0.0 110.289 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.5 mtt-85 -58.54 -53.96 52.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.572 1.17 . . . . 0.0 110.279 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -55.41 -63.49 1.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.635 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 18.1 m -56.29 158.07 4.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.122 . . . . 0.0 110.424 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -115.02 115.69 27.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.7 tptp -140.77 159.02 43.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -76.34 99.48 4.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.347 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.72 120.87 2.08 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.526 1.141 . . . . 0.0 109.244 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -86.85 122.28 30.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 110.309 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -91.31 135.88 33.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.961 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -109.9 147.3 17.19 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.521 1.138 . . . . 0.0 111.03 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 101.07 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.504 1.792 . . . . 0.0 111.04 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 83.8 p -123.56 97.51 5.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.063 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.8 m -106.95 124.69 49.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.573 1.171 . . . . 0.0 109.913 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.472 1.108 . . . . 0.0 111.004 179.941 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.5 p 179.83 107.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 0.747 . . . . 0.0 109.971 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.74 151.2 0.88 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.976 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.42 104.79 0.3 Allowed Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.522 1.139 . . . . 0.0 111.019 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.0 p -176.19 167.94 2.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 0.735 . . . . 0.0 110.063 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.36 163.13 0.69 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.128 . . . . 0.0 110.015 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.79 85.87 0.08 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.431 1.082 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.4 mmt -125.16 162.92 23.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 0.783 . . . . 0.0 111.039 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.48 174.2 2.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.607 1.192 . . . . 0.0 109.26 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.7 t -171.07 132.76 0.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.987 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -127.53 34.53 4.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.306 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -69.87 169.58 12.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 110.278 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.89 -50.91 64.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -145.72 -166.92 2.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -103.53 126.18 50.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 110.301 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.571 HG12 ' CD2' ' A' ' 58' ' ' TYR . 6.2 t -69.45 120.2 16.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.444 ' OE2' ' NH1' ' A' ' 18' ' ' ARG . 10.8 tt0 -78.19 -51.58 10.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.316 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.444 ' NH1' ' OE2' ' A' ' 17' ' ' GLU . 9.3 ptp85 177.25 164.81 0.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 110.335 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.57 ' HB ' ' CD1' ' A' ' 62' ' ' PHE . 3.6 mm -93.52 131.29 40.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.258 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.42 ' HB ' ' CD2' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -111.17 -18.36 7.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 109.32 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.448 ' OD1' ' N ' ' A' ' 22' ' ' LYS . 5.2 t0 -166.23 172.22 11.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.567 ' HG3' ' CD1' ' A' ' 32' ' ' TYR . 1.1 tttt -164.68 133.48 3.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.78 176.75 11.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 110.34 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.48 ' CG ' ' HA2' ' A' ' 28' ' ' GLY . 2.8 ttpt -104.88 146.02 29.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.419 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 1.6 m-20 -80.84 167.04 20.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -57.85 -31.72 66.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.313 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.422 ' N ' ' HG3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -75.89 -20.37 58.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.48 ' HA2' ' CG ' ' A' ' 24' ' ' LYS . . . 103.38 21.6 9.79 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.477 1.111 . . . . 0.0 110.946 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.27 139.02 31.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.43 0.723 . . . . 0.0 109.276 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 31.3 m -82.41 126.17 31.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.577 1.173 . . . . 0.0 110.43 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -129.78 131.46 46.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.339 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.569 ' CE1' HG21 ' A' ' 59' ' ' ILE . 74.3 m-85 -108.75 128.98 55.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 111.036 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.42 ' CD2' ' HB ' ' A' ' 20' ' ' VAL . 6.6 tp -73.93 109.72 7.65 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.563 1.164 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.541 HG22 ' CE2' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -122.5 147.73 26.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.552 ' C ' ' CG ' ' A' ' 36' ' ' TRP . 24.0 mmm-85 -91.22 175.07 7.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.284 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.564 ' CH2' HG22 ' A' ' 16' ' ' VAL . 1.8 m95 -162.46 165.64 25.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.554 1.159 . . . . 0.0 107.997 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.59 146.76 46.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.16 -43.83 3.16 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.473 1.108 . . . . 0.0 111.016 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -81.96 122.71 28.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 0.783 . . . . 0.0 111.015 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.07 -158.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.403 1.064 . . . . 0.0 109.318 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.405 ' O ' ' CG ' ' A' ' 44' ' ' ASP . 0.5 OUTLIER -78.13 -37.87 45.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.974 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -87.34 10.53 17.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -107.71 -15.24 14.62 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.405 ' CG ' ' O ' ' A' ' 41' ' ' SER . 0.5 OUTLIER -40.05 140.9 0.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 109.334 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.405 ' OG1' ' NE1' ' A' ' 36' ' ' TRP . 55.6 p -109.22 161.54 15.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.409 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.419 ' NE1' HD12 ' A' ' 33' ' ' LEU . 63.4 m95 -106.41 113.83 27.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.537 1.148 . . . . 0.0 107.983 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -111.69 136.22 21.11 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 110.267 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.447 ' O ' ' N ' ' A' ' 51' ' ' HIS . 18.4 Cg_endo -74.94 134.85 18.43 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.554 1.818 . . . . 0.0 111.075 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.76 -31.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.317 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.41 ' N ' ' O ' ' A' ' 48' ' ' PRO . 3.4 tt0 -56.92 -49.6 75.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.293 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.447 ' N ' ' O ' ' A' ' 48' ' ' PRO . 18.3 m170 -70.6 -26.16 63.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.561 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 22.8 mt -84.21 69.35 10.41 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.401 ' O ' ' SG ' ' A' ' 55' ' ' CYS . 68.5 t -86.87 138.41 19.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 61.32 21.33 11.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.247 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 53' ' ' VAL . 19.7 m -115.36 15.27 16.86 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.561 1.163 . . . . 0.0 108.307 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.18 -42.37 73.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.573 1.171 . . . . 0.0 110.31 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -40.98 -65.1 0.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.297 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.571 ' CD2' HG12 ' A' ' 16' ' ' VAL . 38.4 m-85 -49.3 -62.02 1.77 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.383 1.052 . . . . 0.0 110.975 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.569 HG21 ' CE1' ' A' ' 32' ' ' TYR . 12.0 mt -46.79 -42.29 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.339 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -60.33 -59.65 5.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.608 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -52.34 -37.21 55.47 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.57 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 78.6 t80 -68.78 -28.46 66.8 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.527 1.142 . . . . 0.0 111.043 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -86.37 -43.1 13.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.425 ' HG3' ' N ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -69.36 -27.11 65.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.588 1.18 . . . . 0.0 110.314 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.425 ' N ' ' HG3' ' A' ' 64' ' ' ARG . 2.3 mmm180 -50.22 -56.44 11.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 110.367 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -44.85 -64.72 0.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.639 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 54.7 m -69.3 165.44 20.63 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.456 1.097 . . . . 0.0 110.413 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -113.82 110.92 20.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.343 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 71' ' ' LYS . 1.0 OUTLIER -125.54 108.4 11.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.353 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -45.11 96.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -175.99 162.91 2.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.605 1.191 . . . . 0.0 109.311 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 64.34 133.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.295 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.6 m -111.48 140.97 45.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.987 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 147.91 -149.78 21.9 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.484 1.115 . . . . 0.0 110.936 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 109.65 2.97 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.515 1.797 . . . . 0.0 111.01 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 15.7 m -123.54 165.51 17.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.994 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.5 p -94.33 167.08 11.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.991 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.542 1.152 . . . . 0.0 110.967 -179.976 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.7 t -143.83 141.12 30.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 0.772 . . . . 0.0 109.966 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.8 p -178.53 166.22 1.77 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 110.042 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.6 -67.49 0.69 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.477 1.11 . . . . 0.0 111.044 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 66.36 135.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 0.731 . . . . 0.0 110.026 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 62.04 153.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.016 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.23 -144.52 5.64 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -174.12 -60.69 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 0.785 . . . . 0.0 111.008 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -109.68 -64.79 1.21 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 39.8 m -50.25 167.64 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.573 1.171 . . . . 0.0 110.018 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -148.01 121.21 8.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 110.278 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -118.15 160.75 21.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.56 1.162 . . . . 0.0 110.314 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.6 -52.99 63.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -139.1 -166.87 2.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.922 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -139.18 140.45 37.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 110.304 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.573 HG13 ' CD2' ' A' ' 58' ' ' TYR . 4.0 t -72.56 116.94 15.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.413 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 22.1 tt0 -68.65 -53.0 25.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.552 1.157 . . . . 0.0 110.357 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.413 ' HB3' ' O ' ' A' ' 17' ' ' GLU . 15.2 ptp180 177.13 165.07 0.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.573 1.171 . . . . 0.0 110.277 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.577 ' HB ' ' CD2' ' A' ' 62' ' ' PHE . 5.4 mm -90.01 123.89 42.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.566 1.166 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.412 ' HB ' HD21 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -102.17 -20.75 5.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.525 1.141 . . . . 0.0 109.277 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.503 ' HB3' ' CH2' ' A' ' 46' ' ' TRP . 7.5 t0 -163.64 175.54 10.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.229 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.572 ' HG3' ' CD1' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -171.56 128.97 0.67 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -153.42 179.71 8.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.143 . . . . 0.0 110.246 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.73 157.91 26.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 25.1 m-20 -101.77 170.62 8.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.246 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.78 -31.17 37.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.24 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -67.74 -41.85 82.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 0.0 109.341 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 116.38 11.84 9.36 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.487 1.117 . . . . 0.0 110.955 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -80.49 135.66 36.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 0.752 . . . . 0.0 109.277 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 53.1 m -84.62 126.94 33.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 110.362 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.432 ' OE2' ' N ' ' A' ' 48' ' ' PRO . 5.4 mm-40 -124.77 139.92 53.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.331 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.572 ' CD1' ' HG3' ' A' ' 22' ' ' LYS . 43.9 m-85 -121.13 120.09 34.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 110.992 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.431 HD11 ' NE1' ' A' ' 46' ' ' TRP . 51.5 tp -71.21 109.57 5.33 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.549 HG23 ' CE2' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -119.9 143.41 31.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.458 1.098 . . . . 0.0 109.265 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.553 ' O ' ' CG ' ' A' ' 36' ' ' TRP . 0.0 OUTLIER -85.19 176.49 8.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.098 . . . . 0.0 110.25 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.553 ' CG ' ' O ' ' A' ' 35' ' ' ARG . 2.7 m95 -162.48 151.33 15.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 108.022 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.18 143.07 55.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.354 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.2 -45.91 3.02 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.518 1.136 . . . . 0.0 111.04 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -83.59 129.23 34.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 0.744 . . . . 0.0 110.956 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -71.69 -170.19 0.52 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.8 t -66.73 -51.79 51.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 110.029 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -64.46 -12.29 42.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.436 1.085 . . . . 0.0 110.319 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -92.99 -21.63 19.65 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.402 ' CB ' HD12 ' A' ' 33' ' ' LEU . 43.9 m-20 -41.07 146.16 0.18 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.423 ' OG1' ' NE1' ' A' ' 36' ' ' TRP . 74.7 p -113.0 170.71 8.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.413 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.503 ' CH2' ' HB3' ' A' ' 21' ' ' ASP . 57.9 m95 -114.54 113.17 24.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 108.019 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -105.38 133.62 20.08 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.342 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.432 ' N ' ' OE2' ' A' ' 31' ' ' GLU . 18.4 Cg_endo -74.93 138.05 22.69 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.472 1.775 . . . . 0.0 111.063 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 52' ' ' LEU . 0.2 OUTLIER -43.26 -56.11 3.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -47.58 -31.31 4.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.316 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.404 ' N ' ' O ' ' A' ' 48' ' ' PRO . 7.2 m170 -83.62 -31.95 25.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.626 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 49' ' ' GLU . 36.9 mt -77.72 64.79 3.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.359 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.0 t -83.88 142.42 13.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 0.0 109.27 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 65.15 12.13 7.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.347 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 32.0 m -124.02 18.45 9.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 108.307 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -59.83 -35.89 75.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.345 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 50.0 tt0 -42.68 -65.12 0.51 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.328 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.573 ' CD2' HG13 ' A' ' 16' ' ' VAL . 25.7 m-85 -49.62 -57.55 6.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.964 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.51 HG23 ' CE1' ' A' ' 32' ' ' TYR . 81.2 mt -49.77 -53.69 9.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -50.25 -50.92 48.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.548 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -60.04 -59.67 5.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.577 ' CD2' ' HB ' ' A' ' 19' ' ' ILE . 4.4 t80 -49.35 -47.78 47.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -54.16 -46.8 72.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.8 mmt-85 -57.94 -54.73 43.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.423 1.077 . . . . 0.0 110.28 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.2 mmm180 -54.03 -48.11 70.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.312 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.19 -63.22 1.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.621 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 60.9 p -62.41 178.84 0.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 110.419 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -97.09 158.53 15.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -164.38 177.56 8.14 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.434 1.084 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -105.13 49.42 0.81 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 110.306 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.56 69.58 1.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.368 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -176.17 155.3 1.51 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 110.319 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.4 t -124.69 115.44 20.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.573 1.17 . . . . 0.0 109.975 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 134.55 170.35 12.21 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.577 1.173 . . . . 0.0 110.981 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 68.1 5.76 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.487 1.783 . . . . 0.0 111.019 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 49.4 m 65.93 161.14 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 110.038 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.4 t -144.71 124.74 13.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.425 1.078 . . . . 0.0 110.076 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 -179.939 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t 67.85 117.12 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.408 0.711 . . . . 0.0 110.054 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 176.44 158.84 0.3 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.535 1.147 . . . . 0.0 109.96 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.6 80.16 0.03 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.57 1.169 . . . . 0.0 111.021 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.0 t -170.83 136.75 1.19 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 0.737 . . . . 0.0 110.04 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 175.84 136.81 0.05 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 110.098 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.7 163.52 8.79 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.525 1.14 . . . . 0.0 111.011 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -166.64 92.92 0.47 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.546 0.792 . . . . 0.0 111.092 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -173.53 -59.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.09 . . . . 0.0 109.327 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.8 m -47.84 174.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.093 . . . . 0.0 110.037 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 178.03 145.12 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.438 1.086 . . . . 0.0 110.318 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -105.12 163.67 12.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.343 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.64 -54.22 49.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.262 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -138.73 -166.55 2.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 110.969 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.78 140.7 44.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.317 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.559 HG21 ' CH2' ' A' ' 36' ' ' TRP . 5.3 t -62.57 122.5 13.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.413 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 11.6 tt0 -77.67 -50.27 12.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.413 ' HB3' ' O ' ' A' ' 17' ' ' GLU . 8.4 ptp180 177.59 168.41 0.66 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 110.255 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.567 ' HB ' ' CD1' ' A' ' 62' ' ' PHE . 2.9 mm -96.58 129.42 46.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.416 ' HB ' ' CD2' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -108.53 -12.24 10.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.1 . . . . 0.0 109.264 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.42 ' HB3' ' CH2' ' A' ' 46' ' ' TRP . 16.2 t0 -173.47 167.78 4.61 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.425 1.078 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.58 ' HG3' ' CE1' ' A' ' 32' ' ' TYR . 0.5 OUTLIER -159.44 139.27 11.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 109.331 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -163.46 179.67 7.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.31 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -110.45 162.6 14.52 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.418 ' ND2' ' O ' ' A' ' 29' ' ' LYS . 0.7 OUTLIER -109.43 175.94 5.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.27 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.34 -18.99 65.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.416 1.072 . . . . 0.0 109.344 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.6 mttt -77.18 -42.55 37.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.259 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 119.04 -0.58 14.78 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.443 1.089 . . . . 0.0 111.043 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.533 ' N ' ' CD ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -78.4 142.2 37.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 0.734 . . . . 0.0 109.226 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.6 m -85.37 121.67 28.42 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.532 1.145 . . . . 0.0 110.379 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -116.05 150.18 37.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.11 . . . . 0.0 110.333 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.58 ' CE1' ' HG3' ' A' ' 22' ' ' LYS . 72.2 m-85 -130.53 127.75 39.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.966 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.425 HD11 ' NE1' ' A' ' 46' ' ' TRP . 6.8 tp -73.54 109.52 7.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.527 HG23 ' CE2' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -123.8 144.32 33.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.251 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.556 ' O ' ' CG ' ' A' ' 36' ' ' TRP . 1.1 mmp_? -86.85 176.02 7.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 110.26 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.559 ' CH2' HG21 ' A' ' 16' ' ' VAL . 2.2 m95 -162.81 155.97 19.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 108.032 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -84.9 165.2 17.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.5 -36.95 3.34 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.491 1.119 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.403 ' HB3' ' CB ' ' A' ' 43' ' ' ASP . 31.7 m-85 -92.98 172.15 8.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 0.772 . . . . 0.0 110.932 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -79.13 -173.92 3.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.4 m -79.72 -36.18 37.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.941 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -91.17 26.57 2.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.608 1.193 . . . . 0.0 110.275 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 44' ' ' ASP . 9.4 t0 -106.46 -13.93 15.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 43' ' ' ASP . 2.2 p30 -39.73 132.61 1.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.248 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.8 p -111.5 -177.41 3.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 110.445 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.425 ' NE1' HD11 ' A' ' 33' ' ' LEU . 61.1 m95 -119.78 112.87 19.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 108.051 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -108.06 141.35 22.97 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 110.292 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.458 ' O ' ' N ' ' A' ' 51' ' ' HIS . 18.4 Cg_endo -75.01 134.9 18.35 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.485 1.781 . . . . 0.0 110.98 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -40.38 -44.0 1.88 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.09 . . . . 0.0 110.338 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -52.09 -43.44 63.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.601 1.188 . . . . 0.0 110.347 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.458 ' N ' ' O ' ' A' ' 48' ' ' PRO . 18.7 m170 -76.27 -20.91 56.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.556 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.467 ' HB3' ' CB ' ' A' ' 55' ' ' CYS . 29.9 mt -92.1 64.37 4.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.258 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 71.0 t -73.9 139.25 19.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 67.77 12.25 8.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.467 ' CB ' ' HB3' ' A' ' 52' ' ' LEU . 47.2 t -90.69 -22.0 21.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.579 1.174 . . . . 0.0 108.231 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 55' ' ' CYS . 31.8 mt-10 -36.01 -39.4 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.292 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -53.86 -53.13 56.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.288 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.459 ' CD2' HG12 ' A' ' 16' ' ' VAL . 50.8 m-85 -66.38 -52.87 42.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.986 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.482 HG23 ' CE1' ' A' ' 32' ' ' TYR . 6.4 mt -48.78 -50.25 13.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -46.58 -62.98 1.13 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.625 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -50.81 -49.87 57.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.356 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.567 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 11.1 t80 -56.14 -40.72 74.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 110.949 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -65.2 -43.26 92.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 -53.55 -52.51 59.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.6 mmt180 -51.01 -56.61 11.65 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.542 1.151 . . . . 0.0 110.275 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -59.11 -68.31 0.29 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 109.625 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 16.7 m -50.96 151.76 2.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.414 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -73.27 142.39 47.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.284 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.07 168.2 13.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.241 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -174.76 95.04 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.242 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.9 175.72 7.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 65.95 88.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.326 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.9 t -81.46 -57.84 3.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 110.022 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -83.4 122.33 5.75 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.417 1.073 . . . . 0.0 111.025 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 124.29 8.52 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.562 1.822 . . . . 0.0 111.039 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.6 p -95.79 171.86 8.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.984 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 82.8 p -131.91 149.04 52.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 110.014 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 O-C-N 124.493 1.121 . . . . 0.0 111.021 179.982 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 71.66 -63.5 0.42 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 0.755 . . . . 0.0 110.031 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.9 t 62.1 122.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.523 1.14 . . . . 0.0 109.963 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.98 91.32 1.1 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.46 1.1 . . . . 0.0 110.988 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.11 -60.72 1.76 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 0.761 . . . . 0.0 110.016 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 m -148.76 150.15 32.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 110.054 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.35 133.72 2.21 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.514 1.134 . . . . 0.0 110.951 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.0 ttm -168.15 -54.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 0.758 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.21 122.19 13.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 41.0 t -161.31 117.61 2.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.483 1.114 . . . . 0.0 110.048 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -102.78 34.02 2.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -72.05 170.02 14.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.284 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.83 -51.15 19.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.225 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -148.03 -167.21 2.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.96 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.53 131.97 45.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.337 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.569 HG12 ' CD2' ' A' ' 58' ' ' TYR . 11.7 t -59.25 126.36 16.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.259 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -86.99 -48.55 8.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.431 1.082 . . . . 0.0 110.239 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 177.76 166.2 0.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.322 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.545 ' HB ' ' CD1' ' A' ' 62' ' ' PHE . 3.6 mm -95.19 128.74 46.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.415 ' HB ' ' CD2' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -108.34 -12.64 10.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.498 ' HB3' ' CH2' ' A' ' 46' ' ' TRP . 15.0 t0 -174.71 173.19 2.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.57 ' HG3' ' CD1' ' A' ' 32' ' ' TYR . 0.5 OUTLIER -162.95 137.79 6.53 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.4 -179.02 7.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 110.241 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.19 161.79 17.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -99.38 173.21 6.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.15 -35.22 64.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.353 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.91 -30.19 67.55 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 108.86 11.51 22.59 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.451 1.094 . . . . 0.0 111.08 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp -76.32 136.5 39.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 0.741 . . . . 0.0 109.336 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 48.6 m -78.61 132.73 37.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.429 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -134.05 143.93 48.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.57 ' CD1' ' HG3' ' A' ' 22' ' ' LYS . 73.0 m-85 -123.48 127.43 48.36 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.517 1.136 . . . . 0.0 110.964 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 21' ' ' ASP . 6.7 tp -74.13 110.6 8.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.541 HG22 ' CE2' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -123.84 145.76 30.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.09 . . . . 0.0 109.239 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.546 ' C ' ' CG ' ' A' ' 36' ' ' TRP . 1.9 mtm-85 -88.58 174.26 8.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 110.3 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.564 ' CH2' HG23 ' A' ' 16' ' ' VAL . 1.9 m95 -162.28 161.19 27.55 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.498 1.124 . . . . 0.0 107.996 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.9 mttt -64.5 141.79 58.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 109.212 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.27 -40.48 3.08 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.499 1.124 . . . . 0.0 110.988 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -73.18 115.24 12.28 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.52 0.776 . . . . 0.0 111.005 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -63.15 -156.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.15 . . . . 0.0 109.272 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.1 t -76.01 -48.54 20.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.943 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -90.68 24.2 2.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 110.248 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 44' ' ' ASP . 1.4 t0 -110.98 -29.45 7.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.346 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 43' ' ' ASP . 5.0 m-20 -39.34 152.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.7 p -118.69 -175.63 2.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.385 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.498 ' CH2' ' HB3' ' A' ' 21' ' ' ASP . 59.9 m95 -121.85 118.71 29.62 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 108.019 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -114.79 139.77 24.57 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.585 1.178 . . . . 0.0 110.337 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.448 ' O ' ' N ' ' A' ' 51' ' ' HIS . 18.2 Cg_endo -74.96 137.12 21.39 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.459 1.768 . . . . 0.0 110.988 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -40.71 -41.03 1.44 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -53.66 -44.57 69.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.34 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.448 ' N ' ' O ' ' A' ' 48' ' ' PRO . 15.4 m170 -76.75 -18.43 58.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.579 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 29.7 mt -94.8 65.16 2.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.1 m -79.03 141.37 15.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.341 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 65.53 16.71 10.64 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.555 1.159 . . . . 0.0 109.25 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.407 ' O ' ' C ' ' A' ' 56' ' ' GLU . 4.5 t -100.75 -15.08 17.79 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.507 1.129 . . . . 0.0 108.26 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 55' ' ' CYS . 10.9 mt-10 -37.26 -40.42 0.33 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.327 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -50.83 -56.1 13.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 110.275 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.569 ' CD2' HG12 ' A' ' 16' ' ' VAL . 44.7 m-85 -62.48 -53.41 55.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 110.973 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.519 HG21 ' CE1' ' A' ' 32' ' ' TYR . 10.6 mt -49.48 -41.79 16.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -60.47 -47.69 85.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 109.577 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -63.63 -25.56 68.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.545 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 61.9 t80 -83.71 -29.08 27.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 111.033 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -82.11 -31.31 30.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.269 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.425 ' HG3' ' N ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -75.73 -27.26 58.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 110.333 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.425 ' N ' ' HG3' ' A' ' 64' ' ' ARG . 1.9 mmm180 -58.14 -52.9 63.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.31 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.95 -69.76 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.645 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 10.8 m -62.41 124.96 22.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.397 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -83.21 -51.96 7.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.269 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 72.05 -70.04 0.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.428 1.08 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -133.87 -59.26 0.85 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.48 1.112 . . . . 0.0 110.294 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.8 135.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.327 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -178.22 124.42 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.313 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.2 t 65.02 85.43 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.167 . . . . 0.0 110.026 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -101.92 -122.29 5.02 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.545 1.153 . . . . 0.0 111.028 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 173.82 13.85 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.542 1.811 . . . . 0.0 110.946 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 51.67 80.77 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.029 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 30.8 p -163.13 -58.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.023 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.486 1.116 . . . . 0.0 110.924 -179.983 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -138.63 -58.42 0.62 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 0.75 . . . . 0.0 110.006 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.74 165.34 14.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 110.039 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.79 96.98 0.11 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.521 1.138 . . . . 0.0 111.027 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.77 144.45 30.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.762 . . . . 0.0 109.981 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.0 t -114.83 -62.28 1.62 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 110.038 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.56 143.49 4.03 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.488 1.118 . . . . 0.0 110.972 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -88.11 130.63 34.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.424 0.72 . . . . 0.0 111.02 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 75.83 118.49 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.4 m -148.61 102.57 3.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.954 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -141.84 83.15 1.84 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.221 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -95.02 171.1 8.96 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.01 -68.11 0.3 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -129.78 -168.31 1.93 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.588 1.18 . . . . 0.0 110.968 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -138.75 140.83 38.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.556 HG12 ' CD2' ' A' ' 58' ' ' TYR . 4.1 t -71.21 118.55 16.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.405 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 18.2 tt0 -75.47 -51.77 12.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.405 ' HB3' ' O ' ' A' ' 17' ' ' GLU . 15.6 ptp180 177.73 167.88 0.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.366 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.567 ' HB ' ' CD2' ' A' ' 62' ' ' PHE . 4.1 mm -96.08 130.31 44.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.218 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.405 ' HB ' ' CD2' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -109.71 -22.31 5.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.467 1.104 . . . . 0.0 109.246 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.491 ' HB3' ' CH2' ' A' ' 46' ' ' TRP . 14.9 t0 -161.82 169.75 20.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.57 ' HG3' ' CD1' ' A' ' 32' ' ' TYR . 3.8 tttm -153.79 139.97 18.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.453 1.095 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -158.65 -179.11 7.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.37 149.96 24.92 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.46 1.1 . . . . 0.0 109.326 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -78.6 179.85 6.87 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.541 1.15 . . . . 0.0 109.253 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.9 tmmm? -70.74 -37.75 73.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.255 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.27 -32.16 64.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 119.23 35.45 0.94 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -105.45 140.83 37.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 0.774 . . . . 0.0 109.259 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 89.1 m -68.13 122.87 19.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 110.353 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -118.5 139.84 50.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 110.324 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.57 ' CD1' ' HG3' ' A' ' 22' ' ' LYS . 51.9 m-85 -125.83 125.0 42.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.142 . . . . 0.0 111.054 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.425 HD12 ' NE1' ' A' ' 46' ' ' TRP . 6.4 tp -73.22 110.39 7.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 109.265 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.538 HG22 ' CE2' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -123.89 142.96 38.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.464 1.102 . . . . 0.0 109.262 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.541 ' O ' ' CG ' ' A' ' 36' ' ' TRP . 0.8 OUTLIER -84.88 176.13 8.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.331 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.552 ' CH2' HG21 ' A' ' 16' ' ' VAL . 2.8 m95 -162.4 151.17 15.0 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.4 pttt -68.99 154.89 41.29 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.72 -42.27 3.06 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.538 1.149 . . . . 0.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -83.88 157.88 21.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 0.764 . . . . 0.0 111.051 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.12 -157.34 0.19 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.6 p -86.49 -41.57 14.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.948 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -83.24 3.49 30.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.382 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -96.87 -11.12 25.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.454 ' OD1' ' N ' ' A' ' 44' ' ' ASP . 1.0 OUTLIER -42.43 141.62 0.95 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.311 179.915 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.446 ' OG1' ' NE1' ' A' ' 36' ' ' TRP . 70.8 p -112.21 166.39 11.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 110.38 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.491 ' CH2' ' HB3' ' A' ' 21' ' ' ASP . 61.2 m95 -108.78 124.84 51.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 108.026 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -118.63 137.19 24.59 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 110.244 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.433 ' O ' ' N ' ' A' ' 51' ' ' HIS . 18.2 Cg_endo -75.04 138.42 22.9 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.428 1.752 . . . . 0.0 110.96 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.91 -45.56 15.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.249 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -53.88 -28.64 37.56 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.433 ' N ' ' O ' ' A' ' 48' ' ' PRO . 19.0 m170 -90.67 -22.54 21.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.643 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 85.3 mt -86.9 54.1 3.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 109.325 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -72.15 144.3 13.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.148 . . . . 0.0 109.233 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 58.92 16.95 4.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 109.285 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 71.5 m -120.58 4.13 10.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.16 . . . . 0.0 108.286 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -51.77 -35.44 43.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 110.315 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -42.25 -62.51 0.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.556 ' CD2' HG12 ' A' ' 16' ' ' VAL . 31.3 m-85 -55.7 -52.39 64.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 111.031 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.563 HG21 ' CE1' ' A' ' 32' ' ' TYR . 30.2 mt -51.32 -49.75 29.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 19.1 m-70 -55.2 -48.83 73.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.621 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -60.82 -37.39 81.85 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.567 ' CD2' ' HB ' ' A' ' 19' ' ' ILE . 39.3 t80 -70.57 -28.94 65.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 111.044 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -85.87 -36.17 20.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.13 . . . . 0.0 109.346 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.435 ' HG3' ' N ' ' A' ' 65' ' ' ARG . 0.1 OUTLIER -78.29 -26.31 46.99 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.435 ' N ' ' HG3' ' A' ' 64' ' ' ARG . 1.9 mmm180 -52.32 -53.32 45.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 110.293 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 21.6 t-160 -47.2 -64.07 0.88 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 109.583 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 99.3 m -61.48 144.82 53.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.595 1.184 . . . . 0.0 110.385 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -120.14 109.18 15.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 110.344 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.7 mttp -142.57 -59.96 0.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.343 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -47.0 -70.66 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.298 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.71 -168.52 2.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.242 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 59.78 165.85 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.27 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.4 m -62.02 -58.67 6.98 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.432 1.082 . . . . 0.0 110.086 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 48.4 -146.23 5.64 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.564 1.165 . . . . 0.0 110.992 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 112.01 3.46 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.48 1.779 . . . . 0.0 111.014 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 52.0 p -43.68 122.59 2.79 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 110.034 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.41 143.54 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.99 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.483 1.114 . . . . 0.0 110.989 179.983 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.39 159.51 14.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 0.764 . . . . 0.0 110.049 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.25 131.64 35.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 110.01 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.27 138.65 42.82 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.562 1.164 . . . . 0.0 110.972 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.9 p -151.53 127.29 10.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 0.746 . . . . 0.0 109.938 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.7 t -98.59 169.08 9.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.052 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.85 128.32 3.31 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.436 1.085 . . . . 0.0 110.97 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.5 mtt -81.44 -55.89 4.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 0.788 . . . . 0.0 110.972 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 63.7 97.02 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.63 169.07 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.968 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -139.81 127.07 21.23 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.572 1.17 . . . . 0.0 110.238 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.14 160.04 13.54 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 110.308 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.579 ' O ' ' CD1' ' A' ' 14' ' ' TYR . 0.1 OUTLIER -51.69 -68.15 0.19 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.579 ' CD1' ' O ' ' A' ' 13' ' ' LEU . 7.1 m-85 -160.44 134.59 7.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 110.994 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -118.11 141.96 47.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.263 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.57 HG22 ' CH2' ' A' ' 36' ' ' TRP . 4.1 t -59.74 119.98 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.403 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 14.0 tt0 -75.75 -50.93 13.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 110.305 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.412 ' O ' ' HA ' ' A' ' 34' ' ' VAL . 14.6 ptp180 177.64 163.66 0.59 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.433 1.083 . . . . 0.0 110.286 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.574 ' HB ' ' CD1' ' A' ' 62' ' ' PHE . 4.4 mm -89.53 128.39 41.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -106.61 -14.36 9.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.49 ' HB3' ' CH2' ' A' ' 46' ' ' TRP . 13.2 t0 -170.71 168.91 7.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.588 ' HG3' ' CE1' ' A' ' 32' ' ' TYR . 0.6 OUTLIER -156.8 139.03 14.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 0.0 109.271 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.465 ' O ' ' CG ' ' A' ' 31' ' ' GLU . 0.5 OUTLIER -161.9 -178.37 6.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.436 1.085 . . . . 0.0 110.272 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -116.6 162.01 18.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 -99.62 169.78 9.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.73 -29.28 62.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.0 mttm -72.7 -34.41 67.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.165 . . . . 0.0 109.325 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 115.42 8.0 15.27 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.507 1.129 . . . . 0.0 111.028 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.2 mmmt -78.46 134.63 37.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.542 0.789 . . . . 0.0 109.293 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 20.9 m -77.65 129.34 35.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.422 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.602 ' OE2' ' CE3' ' A' ' 46' ' ' TRP . 8.7 pt-20 -123.49 149.12 45.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.323 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.588 ' CE1' ' HG3' ' A' ' 22' ' ' LYS . 51.9 m-85 -131.59 119.56 21.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.438 ' N ' ' O ' ' A' ' 21' ' ' ASP . 6.1 tp -70.96 112.96 7.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.55 HG21 ' CE2' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -117.27 157.05 18.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.579 ' O ' ' CG ' ' A' ' 36' ' ' TRP . 0.0 OUTLIER -96.57 175.86 6.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.32 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.579 ' CG ' ' O ' ' A' ' 35' ' ' ARG . 2.0 m95 -163.64 178.77 7.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.584 1.178 . . . . 0.0 107.996 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -123.89 161.24 25.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.79 -55.33 4.38 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.467 1.105 . . . . 0.0 111.052 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.635 ' CD2' ' O ' ' A' ' 40' ' ' ASP . 2.7 p90 -73.33 155.6 39.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 0.784 . . . . 0.0 110.971 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.635 ' O ' ' CD2' ' A' ' 39' ' ' TYR . 0.7 OUTLIER -59.75 144.99 46.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.2 t -67.25 -28.64 68.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.004 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -87.08 28.22 0.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.248 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 44' ' ' ASP . 0.2 OUTLIER -128.66 13.02 6.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.363 179.93 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -37.48 154.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.94 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -132.99 160.06 38.21 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.434 1.084 . . . . 0.0 110.37 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.602 ' CE3' ' OE2' ' A' ' 31' ' ' GLU . 62.2 m95 -112.76 109.3 18.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 108.027 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -102.2 137.68 19.52 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.329 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.415 ' O ' ' N ' ' A' ' 51' ' ' HIS . 18.2 Cg_endo -75.01 143.44 29.03 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.509 1.794 . . . . 0.0 111.005 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.32 -36.34 6.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 110.329 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -60.25 -32.81 71.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.239 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.415 ' N ' ' O ' ' A' ' 48' ' ' PRO . 26.1 m170 -79.39 -34.25 42.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.63 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 20.7 mt -80.78 68.33 6.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 69.0 t -84.39 136.28 23.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.357 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 69.38 8.56 6.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.351 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 16.2 m -109.48 18.59 20.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 108.334 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -52.46 -46.39 66.48 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.144 . . . . 0.0 110.327 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -41.17 -69.18 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.301 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.561 ' CD2' HG11 ' A' ' 16' ' ' VAL . 23.3 m-85 -41.86 -59.44 1.7 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.571 HG22 ' CE1' ' A' ' 32' ' ' TYR . 31.1 mt -52.4 -51.45 32.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.575 1.172 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -51.44 -62.5 1.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.59 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -50.99 -50.61 58.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.379 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.574 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 8.7 t80 -54.56 -40.0 68.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.99 -48.04 80.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.7 mmt85 -57.27 -57.51 12.29 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.446 1.092 . . . . 0.0 110.322 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.4 mmm180 -51.64 -45.28 63.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.409 1.068 . . . . 0.0 110.267 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 5.2 t-80 -66.09 -66.22 0.58 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.586 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 97.9 m -144.34 134.08 23.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 110.41 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -96.21 -56.07 2.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 110.332 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.429 ' HA ' ' CE ' ' A' ' 69' ' ' LYS . 0.3 OUTLIER -89.69 145.57 25.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 109.353 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -179.15 71.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.165 . . . . 0.0 110.286 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.15 137.08 0.67 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -150.95 104.89 3.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.265 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 74.2 m -170.6 148.49 3.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 109.949 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -170.52 144.27 8.29 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.581 1.175 . . . . 0.0 110.969 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 58.24 4.76 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.508 1.794 . . . . 0.0 111.032 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.46 136.03 0.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 110.052 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 89.1 p -140.04 121.63 15.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 110.011 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.537 1.148 . . . . 0.0 111.039 -179.939 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 m 55.0 96.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.432 0.725 . . . . 0.0 109.973 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.7 t -171.36 121.98 0.53 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.028 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.68 118.23 1.14 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.5 1.125 . . . . 0.0 110.963 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 174.44 151.27 0.1 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.545 0.791 . . . . 0.0 109.97 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.6 p -161.87 168.2 23.41 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.458 1.099 . . . . 0.0 109.995 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.69 145.95 7.87 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.555 1.159 . . . . 0.0 110.981 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.9 mtm 178.26 87.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.425 0.72 . . . . 0.0 111.003 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -175.56 121.45 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.573 1.171 . . . . 0.0 109.295 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 169.2 -171.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.173 . . . . 0.0 110.0 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -132.75 113.97 13.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.252 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -108.07 176.86 4.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.339 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.08 -51.47 38.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -146.81 -166.85 2.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 111.052 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -129.76 143.76 50.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.27 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.543 HG12 ' CD2' ' A' ' 58' ' ' TYR . 3.9 t -72.36 116.28 14.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.342 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -70.68 -52.62 19.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.335 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 177.54 169.36 0.64 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.284 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.556 ' HB ' ' CD1' ' A' ' 62' ' ' PHE . 4.6 mm -97.58 129.31 47.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.442 ' HB ' ' CD2' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -108.16 -22.7 4.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 109.258 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.551 ' HB3' ' CH2' ' A' ' 46' ' ' TRP . 15.3 t0 -161.05 171.77 18.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.56 ' HG3' ' CD1' ' A' ' 32' ' ' TYR . 2.5 tttm -156.05 139.52 15.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -156.8 174.7 15.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.378 1.049 . . . . 0.0 110.344 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -118.69 157.18 27.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.454 ' ND2' ' OE2' ' A' ' 31' ' ' GLU . 28.9 m-20 -95.11 170.1 9.64 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.558 1.162 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.01 -33.0 64.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.67 -33.32 72.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.138 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 111.37 19.2 7.64 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.483 1.114 . . . . 0.0 110.956 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.37 135.81 34.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.556 0.798 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.549 HG22 ' CE2' ' A' ' 32' ' ' TYR . 51.4 m -76.95 122.11 24.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.095 . . . . 0.0 110.359 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.454 ' OE2' ' ND2' ' A' ' 25' ' ' ASN . 2.2 mp0 -120.63 124.88 46.32 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.514 1.134 . . . . 0.0 110.298 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.563 ' CE1' HG23 ' A' ' 59' ' ' ILE . 54.0 m-85 -109.55 126.37 53.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.991 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.442 ' CD2' ' HB ' ' A' ' 20' ' ' VAL . 4.4 tp -73.48 113.17 10.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.55 HG23 ' CE2' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -125.34 147.55 30.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.341 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.553 ' C ' ' CG ' ' A' ' 36' ' ' TRP . 10.5 mtm180 -90.84 175.38 7.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.262 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.553 ' CG ' ' C ' ' A' ' 35' ' ' ARG . 1.9 m95 -162.7 164.51 26.41 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.28 144.69 37.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.94 -38.57 3.17 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -89.05 114.1 25.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 0.776 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -51.34 178.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.404 ' O ' ' CG ' ' A' ' 44' ' ' ASP . 5.0 t -67.33 -34.08 76.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.049 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.54 6.83 39.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -107.62 -8.24 16.21 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.404 ' CG ' ' O ' ' A' ' 41' ' ' SER . 10.7 m-20 -40.06 156.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.586 1.179 . . . . 0.0 109.294 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 69.8 p -122.38 162.31 21.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.418 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.551 ' CH2' ' HB3' ' A' ' 21' ' ' ASP . 68.7 m95 -106.94 101.34 10.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.629 1.206 . . . . 0.0 108.02 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -94.58 149.23 36.21 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 0.0 110.356 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 159.67 41.14 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.542 1.811 . . . . 0.0 110.98 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -73.58 -27.62 61.41 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 110.238 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -72.68 -24.75 61.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 110.369 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -85.79 -28.62 24.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.553 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 45.3 mt -78.56 63.66 3.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 52.8 t -88.48 141.23 14.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.359 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 64.3 13.2 7.8 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 87.0 m -123.68 8.26 8.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 108.323 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -54.62 -28.56 47.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.31 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -44.61 -67.46 0.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.265 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.543 ' CD2' HG12 ' A' ' 16' ' ' VAL . 43.6 m-85 -49.41 -53.32 23.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.563 1.164 . . . . 0.0 110.941 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.563 HG23 ' CE1' ' A' ' 32' ' ' TYR . 21.1 mt -48.18 -45.84 13.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -59.55 -45.74 90.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.66 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -63.08 -36.25 82.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.285 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.556 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 61.3 t80 -72.18 -26.38 62.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.973 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -88.69 -30.99 18.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.248 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.436 ' HG3' ' N ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -85.07 -26.97 26.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.264 -179.909 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.436 ' N ' ' HG3' ' A' ' 64' ' ' ARG . 3.1 mmm180 -55.87 -47.1 77.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.277 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -76.54 -65.03 0.98 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.556 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 12.2 m -96.82 119.45 35.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 110.419 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -55.04 142.29 30.94 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.569 1.168 . . . . 0.0 110.303 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -165.24 -59.45 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.408 1.067 . . . . 0.0 109.278 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 70.72 -63.91 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.348 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.69 144.49 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 109.344 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 60.12 103.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 82.6 p -50.05 142.34 9.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.008 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -85.72 158.79 32.53 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.518 1.136 . . . . 0.0 111.021 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 173.66 14.14 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.476 1.777 . . . . 0.0 110.944 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 14.5 t -141.83 -58.3 0.47 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.977 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 79.2 p -42.91 119.65 1.55 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.96 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.523 1.14 . . . . 0.0 111.038 -179.977 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.42 -58.49 0.26 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.566 0.803 . . . . 0.0 109.996 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.8 m -143.12 -58.59 0.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.015 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.02 80.97 0.13 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.56 1.162 . . . . 0.0 111.023 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.88 155.98 30.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 0.747 . . . . 0.0 109.962 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 m -110.54 150.73 28.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.153 . . . . 0.0 109.935 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.0 147.0 9.16 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.498 1.124 . . . . 0.0 111.029 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.04 55.93 1.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 0.744 . . . . 0.0 111.051 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -166.53 147.1 6.11 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 99.3 p -132.65 89.66 2.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.578 1.174 . . . . 0.0 110.055 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -173.18 89.99 0.08 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.547 1.155 . . . . 0.0 110.315 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -115.62 175.83 5.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.575 1.172 . . . . 0.0 110.229 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.592 ' O ' ' CD1' ' A' ' 14' ' ' TYR . 0.1 OUTLIER -59.7 -60.89 3.12 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.592 ' CD1' ' O ' ' A' ' 13' ' ' LEU . 22.3 m-85 -162.73 136.47 6.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -127.96 140.77 51.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.34 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.565 HG23 ' CH2' ' A' ' 36' ' ' TRP . 16.7 t -55.28 126.07 11.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.576 1.173 . . . . 0.0 109.272 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -85.55 -48.7 8.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 110.287 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 177.65 164.27 0.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.362 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.57 ' HB ' ' CD1' ' A' ' 62' ' ' PHE . 4.1 mm -93.52 127.68 45.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.577 1.173 . . . . 0.0 109.328 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -104.89 -15.58 8.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.556 1.16 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.449 ' N ' ' HB3' ' A' ' 33' ' ' LEU . 17.9 t0 -173.44 179.52 2.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.577 ' HG3' ' CD2' ' A' ' 32' ' ' TYR . 0.7 OUTLIER -172.27 131.7 0.62 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.236 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.4 ptp85 -150.94 179.85 7.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 110.289 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.446 ' CG ' ' HA2' ' A' ' 28' ' ' GLY . 19.1 ttpt -108.74 151.66 25.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.234 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -90.04 -179.9 5.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.06 -44.57 95.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.84 -29.23 70.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.349 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.446 ' HA2' ' CG ' ' A' ' 24' ' ' LYS . . . 111.57 24.12 5.42 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.487 1.117 . . . . 0.0 111.03 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.85 138.61 31.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 0.776 . . . . 0.0 109.358 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.527 HG21 ' CE1' ' A' ' 32' ' ' TYR . 16.0 m -84.09 123.53 30.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.125 . . . . 0.0 110.373 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -123.96 129.02 50.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 110.29 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.577 ' CD2' ' HG3' ' A' ' 22' ' ' LYS . 71.4 m-85 -109.83 130.92 55.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.449 ' HB3' ' N ' ' A' ' 21' ' ' ASP . 20.2 tp -75.27 107.82 7.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.551 HG21 ' CE2' ' A' ' 36' ' ' TRP . 0.2 OUTLIER -123.84 140.12 48.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.543 1.152 . . . . 0.0 109.319 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.523 ' C ' ' CG ' ' A' ' 36' ' ' TRP . 7.2 mmm180 -85.72 173.91 9.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.275 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.565 ' CH2' HG23 ' A' ' 16' ' ' VAL . 2.4 m95 -161.13 160.06 29.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 108.021 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.8 pttt -67.86 146.81 53.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.36 -43.08 3.17 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.485 1.116 . . . . 0.0 110.957 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -82.8 117.27 22.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 110.99 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -57.9 -167.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.0 t -75.33 -36.98 60.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.981 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -86.94 -3.92 59.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.57 1.169 . . . . 0.0 110.328 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.32 -14.67 25.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 109.266 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -40.7 159.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.115 . . . . 0.0 109.257 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.45 ' OG1' ' N ' ' A' ' 46' ' ' TRP . 0.8 OUTLIER -129.92 173.76 10.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.406 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.45 ' N ' ' OG1' ' A' ' 45' ' ' THR . 83.9 m95 -111.87 123.64 50.67 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.915 -1.142 . . . . 0.0 107.915 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -118.89 139.14 26.85 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 110.335 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.455 ' O ' ' N ' ' A' ' 51' ' ' HIS . 18.2 Cg_endo -74.99 134.79 18.26 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.448 1.762 . . . . 0.0 110.959 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -39.6 -46.89 1.87 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -49.66 -44.48 47.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.272 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.455 ' N ' ' O ' ' A' ' 48' ' ' PRO . 24.8 m170 -74.05 -22.17 59.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.57 1.169 . . . . 0.0 109.641 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 22.7 mt -91.6 66.49 5.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.085 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.9 m -79.11 143.46 12.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.242 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 63.12 16.28 9.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.417 ' O ' ' C ' ' A' ' 56' ' ' GLU . 5.0 t -100.73 -14.83 17.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 108.344 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 55' ' ' CYS . 10.4 mt-10 -36.78 -43.77 0.45 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 110.337 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -47.86 -56.72 6.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 110.273 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.462 ' CD2' HG11 ' A' ' 16' ' ' VAL . 46.7 m-85 -61.21 -54.62 41.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.57 1.169 . . . . 0.0 111.035 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.505 HG22 ' CZ ' ' A' ' 32' ' ' TYR . 12.9 mt -50.48 -54.5 8.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.593 1.183 . . . . 0.0 109.252 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -43.73 -62.86 0.97 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.593 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -51.75 -52.3 49.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.57 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 9.4 t80 -53.12 -40.24 64.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 110.975 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.6 -34.68 78.83 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -70.35 -59.62 2.75 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.53 1.144 . . . . 0.0 110.301 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.75 -52.92 45.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 56.0 t60 -52.88 -63.76 1.04 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 0.0 109.579 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 12.8 m -57.77 122.08 11.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.402 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 59.33 166.82 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.432 1.082 . . . . 0.0 110.342 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 17.2 mmtt 66.25 105.2 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.573 1.17 . . . . 0.0 109.331 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 54.81 77.14 0.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.42 1.075 . . . . 0.0 110.275 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.7 ttpt -174.81 -66.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 66.32 123.58 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -141.55 79.99 1.71 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.011 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.63 -165.05 45.71 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.455 1.097 . . . . 0.0 110.988 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 167.83 26.19 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.474 1.776 . . . . 0.0 110.996 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.3 m -126.42 125.05 41.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 110.002 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.5 t -125.45 120.0 29.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.996 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.449 1.093 . . . . 0.0 111.012 -179.993 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.067 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.6 p -122.07 -58.58 1.71 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 0.803 . . . . 0.0 110.009 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.2 t 55.71 94.03 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.417 1.073 . . . . 0.0 109.96 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.4 172.03 40.84 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.47 1.106 . . . . 0.0 111.027 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.26 166.37 12.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 0.771 . . . . 0.0 109.98 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.5 t -46.25 -58.85 3.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.951 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.42 -93.9 0.38 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.44 1.088 . . . . 0.0 111.024 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 12.6 mtm -145.26 164.4 31.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 0.792 . . . . 0.0 111.033 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -102.07 135.24 43.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.094 . . . . 0.0 109.263 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.8 m -68.89 161.86 27.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 110.014 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -107.81 86.87 2.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 110.328 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -92.4 170.15 10.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 110.236 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.402 ' O ' ' CD1' ' A' ' 14' ' ' TYR . 0.1 OUTLIER -74.1 -50.24 20.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.402 ' CD1' ' O ' ' A' ' 13' ' ' LEU . 4.4 m-85 -149.61 -166.99 2.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 111.051 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -100.8 130.04 46.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.57 HG23 ' CH2' ' A' ' 36' ' ' TRP . 11.2 t -61.59 122.77 13.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.413 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 11.5 tt0 -77.94 -49.85 13.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.413 ' HB3' ' O ' ' A' ' 17' ' ' GLU . 14.8 ptp180 177.68 167.26 0.68 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.107 . . . . 0.0 110.29 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.567 ' HB ' ' CD1' ' A' ' 62' ' ' PHE . 4.6 mm -96.12 128.19 47.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.421 1.076 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -104.38 -14.52 8.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.568 ' HB3' ' CH2' ' A' ' 46' ' ' TRP . 3.7 t0 -169.35 167.79 9.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.572 ' HG3' ' CD1' ' A' ' 32' ' ' TYR . 1.9 tttm -155.63 138.3 15.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -157.1 174.73 15.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 110.215 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -106.97 152.97 23.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -83.83 177.13 8.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.331 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.68 -37.26 79.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.118 . . . . 0.0 109.287 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -70.39 -36.16 73.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 122.08 38.23 0.61 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -105.18 139.53 39.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.571 0.807 . . . . 0.0 109.248 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 17.7 m -79.15 121.55 25.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.385 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -113.73 145.04 41.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.293 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.572 ' CD1' ' HG3' ' A' ' 22' ' ' LYS . 39.9 m-85 -130.38 113.2 14.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 111.016 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 21' ' ' ASP . 3.4 tp -67.93 116.22 8.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.58 1.175 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.53 HG22 ' CE2' ' A' ' 36' ' ' TRP . 0.2 OUTLIER -122.43 123.21 68.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.445 ' CD ' ' O ' ' A' ' 35' ' ' ARG . 0.1 OUTLIER -84.68 119.29 25.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.57 ' CH2' HG23 ' A' ' 16' ' ' VAL . 0.7 OUTLIER -108.83 175.61 5.4 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.45 161.14 28.9 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.574 1.171 . . . . 0.0 109.334 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.4 -51.5 3.95 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.503 1.127 . . . . 0.0 110.986 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -71.79 120.93 18.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 0.756 . . . . 0.0 111.039 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -50.84 -179.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.204 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.56 -47.53 72.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 109.943 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -89.52 20.55 3.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 110.24 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.6 -20.94 12.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.568 1.168 . . . . 0.0 109.246 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -40.03 153.47 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.564 1.165 . . . . 0.0 109.292 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 22.0 p -110.93 179.33 4.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.439 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.568 ' CH2' ' HB3' ' A' ' 21' ' ' ASP . 65.0 m95 -118.2 116.99 27.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 108.011 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.424 ' OE1' ' CZ2' ' A' ' 36' ' ' TRP . 5.8 mt-10 -114.13 134.1 22.26 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 110.24 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.44 ' O ' ' N ' ' A' ' 51' ' ' HIS . 18.4 Cg_endo -74.98 143.67 29.41 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.542 1.811 . . . . 0.0 111.042 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -45.6 -49.58 13.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 110.29 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -50.69 -25.81 4.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 110.32 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.44 ' N ' ' O ' ' A' ' 48' ' ' PRO . 14.2 m170 -89.99 -31.05 17.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.551 1.157 . . . . 0.0 109.622 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 57.2 mt -81.92 54.71 2.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.348 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.1 m -69.17 145.74 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.332 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 57.53 19.07 5.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 84.9 m -123.91 10.44 8.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 108.316 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -53.64 -35.97 61.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -45.53 -67.36 0.29 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.326 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.453 ' CD2' HG11 ' A' ' 16' ' ' VAL . 32.3 m-85 -47.04 -59.37 3.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 110.994 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.562 HG21 ' CE1' ' A' ' 32' ' ' TYR . 16.8 mt -45.97 -47.67 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -57.53 -46.44 83.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.38 1.05 . . . . 0.0 109.593 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -61.6 -51.92 66.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.567 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 7.3 t80 -54.3 -39.79 67.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.429 1.081 . . . . 0.0 110.934 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.33 -51.99 67.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.338 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.0 mmt85 -55.84 -55.4 32.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 0.0 110.239 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.1 mmm180 -51.75 -53.48 39.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 62.2 t-80 -56.01 -65.73 0.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.526 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 57.0 m -56.46 157.04 5.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 110.402 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -80.82 129.76 34.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.296 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.86 154.21 1.48 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.538 1.149 . . . . 0.0 109.253 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 10.4 mp0 -39.2 -60.23 0.92 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.137 . . . . 0.0 110.302 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 40.84 77.57 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 0.0 109.28 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -150.87 109.88 3.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.318 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 46.9 t -163.2 84.66 0.5 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 109.981 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 53.08 -163.01 2.36 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.578 1.174 . . . . 0.0 111.041 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.9 135.04 18.75 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.515 1.798 . . . . 0.0 111.027 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.49 -58.57 2.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.987 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.2 t -169.59 142.8 2.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.581 1.176 . . . . 0.0 109.947 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 -179.986 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.0 p -77.11 106.75 9.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 0.733 . . . . 0.0 110.002 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.7 m -98.21 153.5 18.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.049 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.06 70.57 0.19 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.495 1.122 . . . . 0.0 110.969 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.7 m -148.98 154.59 39.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 0.743 . . . . 0.0 110.027 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.7 p -71.17 164.38 25.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.025 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.83 167.25 14.44 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.514 1.134 . . . . 0.0 110.971 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.5 ttt -157.13 143.75 18.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 0.779 . . . . 0.0 110.974 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 61.92 96.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.16 -45.91 0.78 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.386 1.054 . . . . 0.0 110.038 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 52.22 88.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.292 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -90.41 170.24 10.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.31 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.31 -51.18 39.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -146.7 -166.69 2.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 111.047 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -122.44 128.64 51.14 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.512 1.133 . . . . 0.0 110.304 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.575 HG21 ' CH2' ' A' ' 36' ' ' TRP . 4.4 t -50.87 121.02 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -76.93 -49.39 15.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.415 ' O ' ' HA ' ' A' ' 34' ' ' VAL . 14.3 ptp180 178.35 164.45 0.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.255 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.572 ' HB ' ' CD1' ' A' ' 62' ' ' PHE . 4.9 mm -92.33 127.79 44.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.125 . . . . 0.0 109.247 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -104.57 -18.21 6.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.452 ' N ' ' HB3' ' A' ' 33' ' ' LEU . 25.0 t0 -169.92 177.17 4.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.431 1.082 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.582 ' HG3' ' CE1' ' A' ' 32' ' ' TYR . 0.3 OUTLIER -163.78 137.69 5.68 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.435 1.084 . . . . 0.0 109.29 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.8 mtt180 -158.84 -179.51 8.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.312 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.2 ttmt -119.03 158.8 25.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.575 1.172 . . . . 0.0 109.355 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.1 m-20 -95.62 179.18 5.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.261 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -36.06 79.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.604 1.19 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.31 -34.55 76.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 115.31 13.87 8.69 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.8 mmmt -78.31 134.74 37.45 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.472 0.748 . . . . 0.0 109.281 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.481 HG22 ' CE2' ' A' ' 32' ' ' TYR . 5.8 m -78.96 129.34 34.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 110.38 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.1 mp0 -126.3 140.01 52.86 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.435 1.084 . . . . 0.0 110.32 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.582 ' CE1' ' HG3' ' A' ' 22' ' ' LYS . 72.9 m-85 -124.08 127.43 47.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.452 ' HB3' ' N ' ' A' ' 21' ' ' ASP . 17.4 tp -73.14 109.11 6.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.343 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.555 HG23 ' CE2' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -121.35 144.36 30.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.145 . . . . 0.0 109.334 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.575 ' O ' ' CD2' ' A' ' 36' ' ' TRP . 0.0 OUTLIER -85.21 176.74 8.17 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 0.0 110.258 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.575 ' CD2' ' O ' ' A' ' 35' ' ' ARG . 3.9 m95 -162.09 156.82 22.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 108.048 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -94.15 142.52 27.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.164 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 110.69 -56.16 0.47 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.451 1.095 . . . . 0.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.619 ' CE2' ' O ' ' A' ' 40' ' ' ASP . 0.5 OUTLIER -86.49 172.48 10.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.405 0.709 . . . . 0.0 110.996 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.619 ' O ' ' CE2' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -105.52 134.11 49.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.403 1.064 . . . . 0.0 109.272 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 40' ' ' ASP . 11.0 t -38.62 -31.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.375 1.047 . . . . 0.0 110.011 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 40' ' ' ASP . 9.2 mt-10 -49.87 -30.18 9.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.271 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.83 42.38 1.42 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.566 1.166 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.65 171.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.215 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.454 ' OG1' ' NE1' ' A' ' 36' ' ' TRP . 6.7 p -141.75 132.55 25.77 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.514 1.134 . . . . 0.0 110.35 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 89.9 m95 -97.23 88.27 4.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.566 1.166 . . . . 0.0 108.036 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -85.58 135.27 38.55 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 110.283 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.437 ' O ' ' N ' ' A' ' 51' ' ' HIS . 18.2 Cg_endo -75.0 138.51 23.12 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.464 1.77 . . . . 0.0 110.945 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.416 ' HG3' ' CE2' ' A' ' 32' ' ' TYR . 0.3 OUTLIER -39.63 -47.02 1.91 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -49.13 -45.52 43.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.263 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.437 ' N ' ' O ' ' A' ' 48' ' ' PRO . 25.9 m170 -72.94 -22.87 60.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 109.579 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 21.0 mt -91.85 70.38 5.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.415 HG12 ' N ' ' A' ' 54' ' ' ASN . 84.5 t -80.13 143.05 13.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.415 ' N ' HG12 ' A' ' 53' ' ' VAL . 5.1 m120 62.79 14.86 7.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.402 ' O ' ' C ' ' A' ' 56' ' ' GLU . 6.7 t -95.42 -14.43 23.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 108.234 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 55' ' ' CYS . 0.9 OUTLIER -37.7 -46.97 0.94 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -45.83 -54.32 8.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.33 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.533 ' CD2' HG13 ' A' ' 16' ' ' VAL . 36.3 m-85 -63.76 -57.65 9.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 0.0 110.975 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.57 HG22 ' CE1' ' A' ' 32' ' ' TYR . 9.3 mt -48.26 -46.45 13.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.427 1.08 . . . . 0.0 109.294 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -51.48 -62.88 1.35 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.565 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -51.99 -46.29 64.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.572 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 18.9 t80 -58.85 -39.47 81.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.569 1.168 . . . . 0.0 110.959 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -61.23 -40.34 93.65 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -56.93 -54.1 50.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.25 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.0 mmm180 -50.58 -58.58 5.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.312 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -47.62 -65.65 0.53 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.156 . . . . 0.0 109.576 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 53.4 m -60.26 165.45 3.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.591 1.182 . . . . 0.0 110.366 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -113.78 105.95 13.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.366 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -116.35 -57.87 2.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 71.86 -59.31 0.56 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.263 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -40.65 124.41 2.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 109.35 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -151.75 161.15 43.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.352 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 59.6 p -136.59 140.66 43.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.107 . . . . 0.0 109.998 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -101.99 124.28 8.15 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 178.27 7.5 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.484 1.781 . . . . 0.0 110.995 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.42 143.72 50.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.109 . . . . 0.0 110.029 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -157.2 150.52 23.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 1.08 . . . . 0.0 109.975 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.504 1.127 . . . . 0.0 110.982 -179.996 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.559 HG22 ' CH2' ' A' ' 36' ' ' TRP . 6.0 t -56.48 120.7 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.401 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 9.1 tt0 -80.43 -51.4 8.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.272 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.405 ' O ' ' HA ' ' A' ' 34' ' ' VAL . 10.0 ptm180 177.4 168.39 0.62 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.575 ' HB ' ' CD1' ' A' ' 62' ' ' PHE . 3.8 mm -97.55 132.61 41.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.137 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.708 ' HB ' HD23 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -112.71 -15.03 10.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -168.26 169.99 10.41 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.458 1.099 . . . . 0.0 109.296 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.581 ' HG3' ' CD1' ' A' ' 32' ' ' TYR . 0.6 OUTLIER -161.6 137.51 7.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.297 -179.932 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.412 ' N ' ' HG2' ' A' ' 22' ' ' LYS . 1.6 ttt180 -159.47 174.62 14.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.288 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 4.3 ttpt -105.15 149.99 25.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.41 1.069 . . . . 0.0 109.318 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.405 ' O ' ' N ' ' A' ' 28' ' ' GLY . 5.1 m-20 -85.73 156.54 20.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.51 -21.14 5.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.273 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -79.71 -31.17 41.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.547 1.155 . . . . 0.0 109.327 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 25' ' ' ASN . . . 114.44 21.9 5.33 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.472 1.107 . . . . 0.0 110.992 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 24' ' ' LYS . 52.3 mmtt -100.44 139.99 35.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 0.778 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.465 HG22 ' CE2' ' A' ' 32' ' ' TYR . 3.8 m -81.56 124.87 29.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 110.389 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -122.38 132.77 54.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.342 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.656 ' CE1' HG23 ' A' ' 59' ' ' ILE . 71.2 m-85 -113.39 129.56 56.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 111.016 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.708 HD23 ' HB ' ' A' ' 20' ' ' VAL . 7.0 tp -75.83 109.62 9.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.627 HG22 ' CE2' ' A' ' 36' ' ' TRP . 0.2 OUTLIER -124.81 144.48 34.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.55 ' O ' ' CG ' ' A' ' 36' ' ' TRP . 0.2 OUTLIER -88.17 172.87 9.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.219 -179.916 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.627 ' CE2' HG22 ' A' ' 34' ' ' VAL . 2.2 m95 -162.04 159.26 26.1 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.4 mttm -61.91 140.96 58.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.59 -38.87 3.16 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.499 1.124 . . . . 0.0 111.045 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -82.11 112.78 19.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 0.762 . . . . 0.0 111.055 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.419 ' N ' ' HB2' ' A' ' 43' ' ' ASP . 83.2 m-20 -61.04 179.87 0.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.297 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.6 p -61.21 -41.59 97.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.047 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -88.22 10.46 19.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.232 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.419 ' HB2' ' N ' ' A' ' 40' ' ' ASP . 0.8 OUTLIER -108.77 -14.62 14.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.413 ' OD1' ' N ' ' A' ' 44' ' ' ASP . 0.9 OUTLIER -40.35 148.11 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 109.248 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 30.1 p -113.86 178.66 4.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.425 1.078 . . . . 0.0 110.39 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.43 ' NE1' HD13 ' A' ' 33' ' ' LEU . 62.4 m95 -118.19 120.21 37.01 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -118.48 137.71 25.03 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.279 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.464 ' HA ' ' O ' ' A' ' 30' ' ' THR . 18.2 Cg_endo -75.01 136.26 20.14 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.49 1.784 . . . . 0.0 111.032 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -40.08 -30.6 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 110.315 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.524 ' O ' HG23 ' A' ' 53' ' ' VAL . 7.4 tt0 -60.37 -48.75 80.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 110.365 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.436 ' N ' ' O ' ' A' ' 48' ' ' PRO . 0.3 OUTLIER -68.6 -25.16 64.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.617 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.485 HD21 HG11 ' A' ' 34' ' ' VAL . 19.8 mt -85.53 71.87 10.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 50' ' ' GLN . 72.2 t -90.37 132.27 35.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 70.49 21.94 5.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.586 1.179 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 82.5 m -115.15 0.12 13.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 108.269 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -39.58 -47.4 1.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.234 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -42.17 -68.38 0.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.285 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -45.3 -61.83 1.5 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 111.004 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.656 HG23 ' CE1' ' A' ' 32' ' ' TYR . 23.6 mt -47.44 -53.94 3.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.428 1.08 . . . . 0.0 109.341 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 14.1 m80 -47.44 -57.25 5.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.654 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -54.45 -49.51 69.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.592 1.183 . . . . 0.0 109.293 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.575 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 12.2 t80 -57.88 -40.13 79.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.96 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -63.29 -46.04 88.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.34 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.75 -48.25 63.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.281 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.3 mmm180 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.575 1.172 . . . . 0.0 110.344 179.985 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 110.299 -0.259 . . . . 0.0 110.299 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.455 HG22 HG21 ' A' ' 34' ' ' VAL . 6.4 t -51.54 119.97 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.223 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.415 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 18.8 tt0 -80.41 -52.13 8.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.266 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.415 ' HB3' ' O ' ' A' ' 17' ' ' GLU . 8.7 ptp180 177.24 167.12 0.59 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.458 1.099 . . . . 0.0 110.327 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.573 ' HB ' ' CD1' ' A' ' 62' ' ' PHE . 4.1 mm -95.54 131.89 41.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.719 ' HB ' HD23 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -111.67 -18.34 7.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.271 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.43 ' HB3' ' CH2' ' A' ' 46' ' ' TRP . 12.5 t0 -165.6 170.08 14.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.583 ' HG3' ' CD1' ' A' ' 32' ' ' TYR . 1.0 OUTLIER -158.57 139.21 12.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.431 ' N ' ' HG2' ' A' ' 22' ' ' LYS . 15.4 mtt85 -162.23 174.77 12.42 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.453 1.096 . . . . 0.0 110.339 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.9 ttpt -104.57 152.0 22.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 29' ' ' LYS . 1.5 m-20 -84.38 171.67 12.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -34.81 78.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.241 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.13 -30.71 67.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 114.41 29.61 2.67 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.486 1.117 . . . . 0.0 110.965 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 25' ' ' ASN . 0.1 OUTLIER -101.8 137.5 40.02 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.471 0.747 . . . . 0.0 109.309 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 17.5 m -80.18 122.19 26.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.429 1.081 . . . . 0.0 110.423 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -121.76 143.39 49.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.756 ' CE1' HG23 ' A' ' 59' ' ' ILE . 69.8 m-85 -120.8 129.14 53.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 111.005 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.719 HD23 ' HB ' ' A' ' 20' ' ' VAL . 7.2 tp -74.0 110.13 8.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.562 1.164 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.632 HG22 ' CE2' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -123.6 145.22 30.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 O-C-N 124.432 1.083 . . . . 0.0 109.318 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.545 ' C ' ' CG ' ' A' ' 36' ' ' TRP . 0.0 OUTLIER -88.67 175.43 7.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.423 1.077 . . . . 0.0 110.341 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.632 ' CE2' HG22 ' A' ' 34' ' ' VAL . 2.0 m95 -162.44 164.34 27.18 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.4 pttt -72.82 131.37 42.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.566 1.166 . . . . 0.0 109.357 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.77 -51.45 0.91 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.482 1.114 . . . . 0.0 110.95 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -64.5 112.91 3.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 0.747 . . . . 0.0 110.973 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.415 ' N ' ' HB2' ' A' ' 43' ' ' ASP . 0.4 OUTLIER -53.29 -176.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 t -66.97 -35.96 81.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 110.03 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -97.93 20.7 11.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.415 ' HB2' ' N ' ' A' ' 40' ' ' ASP . 0.4 OUTLIER -115.24 -8.59 12.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.907 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -41.09 157.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.232 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.442 ' OG1' ' NE1' ' A' ' 36' ' ' TRP . 63.8 p -122.57 162.83 21.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.423 1.077 . . . . 0.0 110.397 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.458 ' NE1' HD13 ' A' ' 33' ' ' LEU . 65.0 m95 -109.41 111.02 22.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 107.993 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -107.17 136.85 19.46 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.133 . . . . 0.0 110.305 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.44 ' O ' ' N ' ' A' ' 51' ' ' HIS . 18.2 Cg_endo -75.03 135.12 18.6 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.492 1.785 . . . . 0.0 110.978 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -39.94 -30.79 0.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.197 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.494 ' O ' HG23 ' A' ' 53' ' ' VAL . 6.6 tt0 -59.7 -48.76 80.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.44 ' N ' ' O ' ' A' ' 48' ' ' PRO . 0.5 OUTLIER -70.39 -27.07 64.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.585 1.178 . . . . 0.0 109.578 -179.918 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 20.9 mt -83.09 67.88 9.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.257 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 50' ' ' GLN . 79.1 t -84.91 142.11 13.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.323 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 60.13 16.1 5.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 73.7 m -111.05 6.82 21.18 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.553 1.158 . . . . 0.0 108.264 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -46.62 -46.66 19.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.425 1.078 . . . . 0.0 110.288 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -40.94 -68.25 0.19 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 110.255 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -43.59 -61.12 1.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 111.061 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.756 HG23 ' CE1' ' A' ' 32' ' ' TYR . 15.1 mt -49.61 -56.73 2.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -44.75 -59.22 2.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.416 1.073 . . . . 0.0 109.588 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -53.4 -51.41 62.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.351 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.573 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 8.8 t80 -54.9 -39.93 69.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 110.943 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -65.11 -47.45 77.11 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 -57.44 -63.91 1.07 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 110.272 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.2 mmt180 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.325 -180.0 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.708 HG22 HG21 ' A' ' 34' ' ' VAL . 2.8 t -69.62 114.99 7.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.269 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.443 ' OE2' ' NH2' ' A' ' 18' ' ' ARG . 10.7 tt0 -68.33 -53.52 23.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.443 ' NH2' ' OE2' ' A' ' 17' ' ' GLU . 9.1 ptp85 177.33 167.22 0.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.567 1.167 . . . . 0.0 110.265 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.571 ' HB ' ' CD1' ' A' ' 62' ' ' PHE . 3.7 mm -96.05 132.44 40.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 0.0 109.356 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.715 ' HB ' HD23 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -112.32 -17.52 8.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -165.15 169.42 16.12 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.459 1.099 . . . . 0.0 109.279 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.568 ' HG3' ' CE1' ' A' ' 32' ' ' TYR . 0.6 OUTLIER -166.98 134.68 2.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.08 174.08 16.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 110.303 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.17 151.41 21.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.108 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.412 ' N ' ' O ' ' A' ' 29' ' ' LYS . 27.2 m-20 -92.07 171.41 9.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.419 ' HG3' ' N ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -59.25 -32.6 70.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.245 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.419 ' N ' ' HG3' ' A' ' 26' ' ' LYS . 7.7 mttp -75.18 -16.38 60.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 109.342 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.32 12.77 40.91 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.477 1.111 . . . . 0.0 111.034 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.412 ' O ' ' N ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -82.61 139.88 33.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 0.801 . . . . 0.0 109.26 -179.918 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.451 ' O ' ' HA ' ' A' ' 48' ' ' PRO . 16.2 m -88.63 122.53 32.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 110.371 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -117.72 137.93 52.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.373 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.579 ' CE1' HG23 ' A' ' 59' ' ' ILE . 45.0 m-85 -116.9 126.23 52.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.715 HD23 ' HB ' ' A' ' 20' ' ' VAL . 7.7 tp -74.48 109.35 7.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.208 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.708 HG21 HG22 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -124.02 143.18 38.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.425 1.078 . . . . 0.0 109.312 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.549 ' O ' ' CG ' ' A' ' 36' ' ' TRP . 20.2 mmm-85 -86.91 175.7 8.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.333 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.631 ' CE2' HG22 ' A' ' 34' ' ' VAL . 2.5 m95 -162.4 155.37 19.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 108.032 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.4 mttm -65.54 141.95 58.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.33 -28.28 8.37 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.428 1.08 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -91.23 131.87 36.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 0.789 . . . . 0.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -70.02 -166.8 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.254 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.13 -43.25 43.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 110.007 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -88.33 14.61 9.15 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.526 1.141 . . . . 0.0 110.314 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.55 -13.28 14.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.09 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.406 ' N ' ' OD1' ' A' ' 44' ' ' ASP . 0.3 OUTLIER -40.68 152.19 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.448 ' OG1' ' NE1' ' A' ' 36' ' ' TRP . 82.5 p -115.46 169.81 8.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.442 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.537 ' NE1' HD13 ' A' ' 33' ' ' LEU . 49.2 m95 -113.31 121.97 46.01 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -118.3 134.89 23.37 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.279 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.451 ' HA ' ' O ' ' A' ' 30' ' ' THR . 18.2 Cg_endo -75.08 136.27 20.01 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.535 1.808 . . . . 0.0 110.987 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.421 ' HG2' HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -41.61 -36.53 0.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.325 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.575 ' O ' HG23 ' A' ' 53' ' ' VAL . 0.5 OUTLIER -57.76 -44.63 86.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.297 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.442 ' N ' ' O ' ' A' ' 48' ' ' PRO . 0.4 OUTLIER -72.88 -30.58 64.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.6 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.634 ' CD2' HG21 ' A' ' 16' ' ' VAL . 20.0 mt -79.48 71.85 6.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.272 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 50' ' ' GLN . 54.2 t -94.47 141.53 14.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 66.72 10.91 7.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 19.8 m -120.82 19.91 11.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 108.321 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -59.55 -31.49 69.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.257 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -49.1 -65.45 0.56 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.286 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -48.52 -56.4 8.43 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.517 1.136 . . . . 0.0 111.037 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.579 HG23 ' CE1' ' A' ' 32' ' ' TYR . 52.3 mt -51.33 -51.72 22.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.44 1.087 . . . . 0.0 109.385 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -51.0 -53.83 29.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.566 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -56.05 -54.87 39.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.571 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 5.5 t80 -53.53 -45.48 69.82 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -57.31 -49.81 74.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.355 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.4 mmt180 -55.82 -54.91 38.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.303 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.5 mmm180 . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 110.243 -179.938 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.666 HG22 HG21 ' A' ' 34' ' ' VAL . 4.9 t -66.23 119.59 11.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.41 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 13.6 tt0 -75.84 -51.68 12.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 110.316 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.423 ' CZ ' ' HB3' ' A' ' 18' ' ' ARG . 3.7 ptp180 177.61 166.41 0.65 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 110.303 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.574 ' HB ' ' CD2' ' A' ' 62' ' ' PHE . 4.2 mm -95.46 132.24 40.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.286 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.732 ' HB ' HD23 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -112.37 -15.61 9.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.338 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -167.67 171.83 9.82 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.546 1.154 . . . . 0.0 109.352 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.572 ' HG3' ' CD1' ' A' ' 32' ' ' TYR . 0.8 OUTLIER -167.14 135.67 2.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.251 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.7 -179.68 6.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.263 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.8 ttpt -112.94 162.18 16.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.345 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -111.72 177.91 4.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.271 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.47 -28.05 58.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.0 mtmt -66.67 -40.95 88.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 107.23 17.53 11.42 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.538 1.149 . . . . 0.0 111.004 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.8 mmtp -95.82 139.07 32.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 0.798 . . . . 0.0 109.272 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.416 ' O ' ' HA ' ' A' ' 48' ' ' PRO . 19.0 m -74.77 126.13 30.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.407 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -120.91 142.99 49.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.348 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.663 ' CE1' HG23 ' A' ' 59' ' ' ILE . 51.4 m-85 -125.6 126.26 44.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.936 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.732 HD23 ' HB ' ' A' ' 20' ' ' VAL . 8.1 tp -74.45 110.36 8.68 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.496 1.122 . . . . 0.0 109.222 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.666 HG21 HG22 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -124.44 142.79 40.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 109.268 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.55 ' O ' ' CG ' ' A' ' 36' ' ' TRP . 9.9 mtt180 -85.25 175.63 8.82 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.441 1.088 . . . . 0.0 110.3 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.616 ' CE2' HG22 ' A' ' 34' ' ' VAL . 3.4 m95 -162.18 147.89 13.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.095 . . . . 0.0 108.049 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.5 pttt -68.74 154.22 42.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 109.298 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.84 -40.94 3.06 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.555 1.16 . . . . 0.0 111.014 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -82.22 149.77 27.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 0.748 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -75.08 -177.3 3.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.582 1.176 . . . . 0.0 109.337 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 85.1 p -70.79 -35.57 72.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 110.024 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -92.9 17.72 10.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.325 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -109.15 -12.49 14.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.23 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -40.27 144.5 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.589 1.181 . . . . 0.0 109.338 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 60.8 p -114.82 161.22 18.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 110.454 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.56 ' NE1' HD13 ' A' ' 33' ' ' LEU . 47.1 m95 -104.02 117.62 34.73 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -111.58 136.37 21.06 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.334 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.487 ' HG2' ' CG ' ' A' ' 51' ' ' HIS . 18.1 Cg_endo -75.11 136.57 20.35 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.518 1.799 . . . . 0.0 110.941 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.477 ' HG2' HD13 ' A' ' 59' ' ' ILE . 0.3 OUTLIER -40.79 -39.98 1.23 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.454 1.096 . . . . 0.0 110.325 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.668 ' O ' HG23 ' A' ' 53' ' ' VAL . 5.1 tt0 -55.14 -45.57 75.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.35 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.487 ' CG ' ' HG2' ' A' ' 48' ' ' PRO . 0.6 OUTLIER -69.8 -34.88 74.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 0.0 109.636 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.547 ' CD2' HG21 ' A' ' 16' ' ' VAL . 18.0 mt -75.5 69.91 2.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.426 1.079 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 50' ' ' GLN . 83.3 t -95.08 137.9 22.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.38 1.05 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.504 ' CG ' HG12 ' A' ' 53' ' ' VAL . 3.4 m-80 71.95 6.3 5.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 42.9 m -122.16 13.77 10.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.426 1.079 . . . . 0.0 108.38 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.07 -26.15 59.9 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.441 1.088 . . . . 0.0 110.313 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -48.67 -67.36 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.391 1.057 . . . . 0.0 110.229 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -46.93 -54.31 10.33 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.663 HG23 ' CE1' ' A' ' 32' ' ' TYR . 65.3 mt -49.36 -57.25 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.413 1.071 . . . . 0.0 109.256 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -47.09 -51.98 16.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.612 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -59.39 -51.27 70.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.236 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.574 ' CD2' ' HB ' ' A' ' 19' ' ' ILE . 5.2 t80 -54.45 -42.48 70.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.13 . . . . 0.0 110.952 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -62.08 -50.69 70.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 109.276 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.8 mmt180 -57.68 -52.93 63.4 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.556 1.16 . . . . 0.0 110.339 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 . . . . . 0 C--N 1.326 -0.422 0 O-C-N 124.455 1.097 . . . . 0.0 110.296 179.967 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.571 HG21 HD22 ' A' ' 52' ' ' LEU . 5.2 t -57.8 121.4 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 109.257 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.407 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 9.7 tt0 -80.83 -50.81 9.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.262 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.407 ' HB3' ' O ' ' A' ' 17' ' ' GLU . 2.2 ptm85 177.49 169.3 0.63 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.305 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.578 ' HB ' ' CD1' ' A' ' 62' ' ' PHE . 3.9 mm -96.99 128.53 48.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.682 ' HB ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -107.41 -17.83 7.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.296 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.523 ' HB3' ' CH2' ' A' ' 46' ' ' TRP . 4.0 t0 -166.68 172.45 10.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.562 ' HD2' ' CE1' ' A' ' 32' ' ' TYR . 0.4 OUTLIER -162.27 138.12 7.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.564 ' HG2' ' CZ3' ' A' ' 46' ' ' TRP . 6.9 ptp180 -154.63 172.7 17.44 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 110.328 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.9 ttpt -109.26 150.46 27.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.362 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -86.47 159.05 19.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -53.51 -32.4 50.25 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.418 ' N ' ' HG3' ' A' ' 26' ' ' LYS . 0.6 OUTLIER -70.5 -29.4 65.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.294 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 112.32 22.72 5.74 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.503 1.127 . . . . 0.0 110.96 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.9 mmtt -95.39 140.33 30.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.591 0.818 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.442 ' O ' ' HA ' ' A' ' 48' ' ' PRO . 24.4 m -80.31 135.25 36.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.457 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -132.15 125.43 31.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.421 1.076 . . . . 0.0 110.267 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.63 ' CE1' HG23 ' A' ' 59' ' ' ILE . 46.9 m-85 -110.73 123.72 50.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 110.933 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.682 HD23 ' HB ' ' A' ' 20' ' ' VAL . 4.7 tp -73.47 114.74 12.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.255 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.627 HG22 ' CE2' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -126.66 144.3 37.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.385 1.053 . . . . 0.0 109.33 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.512 ' C ' ' CG ' ' A' ' 36' ' ' TRP . 1.7 mtt180 -88.49 170.78 10.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.6 1.187 . . . . 0.0 110.259 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.627 ' CE2' HG22 ' A' ' 34' ' ' VAL . 1.6 m95 -160.09 166.13 30.44 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -73.81 141.79 46.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.602 1.189 . . . . 0.0 109.303 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.0 -41.43 2.91 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -80.08 113.26 18.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 0.783 . . . . 0.0 111.018 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.79 -171.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.69 -36.89 76.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.582 1.176 . . . . 0.0 110.043 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -92.63 4.13 54.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.276 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.99 -14.4 17.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -44.92 155.31 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.45 ' OG1' ' N ' ' A' ' 46' ' ' TRP . 1.1 t -121.74 174.13 7.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.374 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.58 ' NE1' HD13 ' A' ' 33' ' ' LEU . 42.5 m95 -114.98 133.96 55.59 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -126.74 138.92 33.53 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 110.312 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.502 ' HG2' ' CG ' ' A' ' 51' ' ' HIS . 18.0 Cg_endo -75.06 139.77 24.51 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.466 1.772 . . . . 0.0 110.975 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.483 ' HG2' HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -45.89 -52.92 10.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 110.293 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -51.27 -23.63 3.71 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.487 1.117 . . . . 0.0 110.331 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.502 ' CG ' ' HG2' ' A' ' 48' ' ' PRO . 6.6 m170 -92.51 -25.99 18.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 109.621 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.571 HD22 HG21 ' A' ' 16' ' ' VAL . 63.3 mt -83.82 53.08 2.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.373 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.401 ' H ' HG13 ' A' ' 53' ' ' VAL . 1.0 OUTLIER -69.99 145.23 13.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.152 . . . . 0.0 109.197 -179.923 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 60.78 15.68 6.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 42.1 m -123.92 3.99 8.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 108.332 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.8 -37.23 18.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.241 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -44.97 -68.66 0.18 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 110.27 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -45.23 -55.17 6.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.979 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.63 HG23 ' CE1' ' A' ' 32' ' ' TYR . 37.7 mt -50.89 -56.99 3.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 20.8 m80 -46.31 -52.83 11.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 109.519 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -58.08 -52.58 64.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.339 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.578 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 12.6 t80 -55.5 -38.79 69.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 111.046 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.13 -47.21 80.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.412 1.07 . . . . 0.0 109.298 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.93 -47.34 64.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.337 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.425 ' HB3' ' NH1' ' A' ' 65' ' ' ARG . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.653 HG22 HG21 ' A' ' 34' ' ' VAL . 8.6 t -53.84 121.39 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.169 . . . . 0.0 109.306 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.452 ' OE2' ' NH1' ' A' ' 18' ' ' ARG . 11.1 tt0 -76.45 -50.5 13.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 110.257 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.452 ' NH1' ' OE2' ' A' ' 17' ' ' GLU . 9.4 ptp85 177.71 165.22 0.65 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.49 1.119 . . . . 0.0 110.334 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.566 ' HB ' ' CD1' ' A' ' 62' ' ' PHE . 4.0 mm -94.48 129.83 44.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.765 ' HB ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -107.77 -14.04 9.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.462 ' N ' ' HB3' ' A' ' 33' ' ' LEU . 5.7 t70 -174.88 177.02 2.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.147 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.58 ' HG3' ' CD2' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -169.45 132.57 1.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.8 mtp180 -151.12 -179.15 7.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.282 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -104.72 148.28 26.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.252 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 29' ' ' LYS . 1.1 t-20 -81.77 173.28 12.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.75 -33.49 76.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -74.06 -28.13 61.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 114.41 21.8 5.38 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.427 1.08 . . . . 0.0 111.025 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 25' ' ' ASN . 15.3 mmtp -92.77 140.93 29.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 0.755 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 42.4 m -82.78 131.8 35.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.09 . . . . 0.0 110.398 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.3 mp0 -131.51 146.25 52.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.301 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.723 ' CE2' HG23 ' A' ' 59' ' ' ILE . 73.0 m-85 -125.61 131.87 52.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.765 HD23 ' HB ' ' A' ' 20' ' ' VAL . 17.9 tp -75.28 107.81 7.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.346 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.653 HG21 HG22 ' A' ' 16' ' ' VAL . 0.2 OUTLIER -125.14 139.99 49.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.259 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.546 ' O ' ' CG ' ' A' ' 36' ' ' TRP . 3.0 mtm-85 -86.66 175.0 8.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.242 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.638 ' CE2' HG22 ' A' ' 34' ' ' VAL . 2.1 m95 -162.26 160.06 26.38 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.1 mmtt -64.95 156.53 30.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.398 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.98 -51.55 4.1 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.527 1.142 . . . . 0.0 110.976 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -64.64 142.69 58.34 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.567 0.804 . . . . 0.0 110.961 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -71.33 -166.92 0.2 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 109.317 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 t -79.65 -44.74 20.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.996 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -89.63 12.71 16.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.43 1.082 . . . . 0.0 110.274 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -96.87 -12.98 22.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.364 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.47 ' OD2' HD21 ' A' ' 33' ' ' LEU . 12.7 p30 -40.09 142.45 0.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.345 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.688 ' O ' HD12 ' A' ' 33' ' ' LEU . 7.4 p -107.49 -176.01 2.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.113 . . . . 0.0 110.397 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.48 ' CE2' HD13 ' A' ' 33' ' ' LEU . 92.0 m95 -121.28 97.82 5.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.117 . . . . 0.0 108.044 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -95.79 136.79 22.06 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.462 1.101 . . . . 0.0 110.323 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.519 ' HG2' ' CG ' ' A' ' 51' ' ' HIS . 18.0 Cg_endo -75.07 135.72 19.32 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.479 1.778 . . . . 0.0 110.982 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.424 ' HG3' ' CE1' ' A' ' 32' ' ' TYR . 0.3 OUTLIER -38.86 -46.3 1.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -49.68 -46.55 50.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.57 1.169 . . . . 0.0 110.285 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.519 ' CG ' ' HG2' ' A' ' 48' ' ' PRO . 28.9 m170 -71.28 -24.28 62.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.085 . . . . 0.0 109.623 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.582 HD21 HG11 ' A' ' 34' ' ' VAL . 18.5 mt -89.5 67.99 7.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.509 HG12 ' CG ' ' A' ' 54' ' ' ASN . 82.9 t -78.03 141.67 15.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.509 ' CG ' HG12 ' A' ' 53' ' ' VAL . 4.1 m120 61.88 23.36 13.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.112 . . . . 0.0 109.252 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.416 ' O ' ' C ' ' A' ' 56' ' ' GLU . 8.0 t -104.74 -13.85 15.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 108.223 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 55' ' ' CYS . 3.0 mt-10 -37.18 -43.54 0.51 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 110.272 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -48.41 -60.18 2.88 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.503 1.127 . . . . 0.0 110.334 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -58.57 -55.55 33.63 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.457 1.098 . . . . 0.0 111.051 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.723 HG23 ' CE2' ' A' ' 32' ' ' TYR . 11.7 mt -49.88 -54.31 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 9.7 m80 -45.24 -57.93 3.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 109.591 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -54.98 -49.18 72.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.566 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 14.1 t80 -57.52 -38.05 74.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.49 -41.86 98.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 109.258 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.93 -51.46 69.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.231 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.9 mmm-85 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.32 -179.964 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.477 HG22 HG21 ' A' ' 34' ' ' VAL . 5.5 t -54.8 120.15 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 109.287 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.417 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 17.0 tt0 -80.18 -51.95 8.35 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.456 1.098 . . . . 0.0 110.254 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.417 ' HB3' ' O ' ' A' ' 17' ' ' GLU . 15.6 ptp180 177.15 164.66 0.53 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 110.348 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.586 HD12 ' HB3' ' A' ' 32' ' ' TYR . 4.4 mm -92.75 132.66 36.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.422 1.076 . . . . 0.0 109.349 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.694 ' HB ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -112.62 -14.3 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.476 ' HB3' ' CH2' ' A' ' 46' ' ' TRP . 17.1 t0 -169.98 169.06 8.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.565 ' HG3' ' CD1' ' A' ' 32' ' ' TYR . 0.6 OUTLIER -160.41 130.37 5.23 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.504 1.127 . . . . 0.0 109.247 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.561 ' HG2' ' CZ3' ' A' ' 46' ' ' TRP . 6.0 ptt180 -153.11 -179.05 7.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 0.7 OUTLIER -116.91 155.61 28.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.237 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -91.9 178.29 5.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.15 -34.06 73.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.42 1.075 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -69.75 -32.56 71.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.331 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 110.7 15.45 11.06 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 24' ' ' LYS . 9.3 mmmt -80.9 136.35 36.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 0.785 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.455 ' O ' ' HA ' ' A' ' 48' ' ' PRO . 54.4 m -78.63 128.96 34.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 110.371 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -129.64 137.69 50.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 110.34 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.706 ' CE1' HG23 ' A' ' 59' ' ' ILE . 60.6 m-85 -117.88 124.17 47.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 110.922 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.694 HD23 ' HB ' ' A' ' 20' ' ' VAL . 6.2 tp -71.94 111.35 7.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.254 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.632 HG22 ' CE2' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -120.99 151.57 24.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.358 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.559 ' C ' ' CG ' ' A' ' 36' ' ' TRP . 0.3 OUTLIER -95.52 176.38 6.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.262 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.879 ' HE1' HG22 ' A' ' 45' ' ' THR . 1.6 m95 -162.75 175.61 11.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.159 . . . . 0.0 107.933 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -80.03 144.33 33.31 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.41 -42.26 3.13 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.47 1.106 . . . . 0.0 111.004 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -80.44 118.11 21.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 0.767 . . . . 0.0 111.02 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -51.19 178.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.484 ' OG ' ' CZ ' ' A' ' 35' ' ' ARG . 45.6 m -67.37 -29.87 69.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.962 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -95.24 20.08 9.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.258 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 44' ' ' ASP . 0.8 OUTLIER -112.65 -14.39 13.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.271 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.427 ' OD1' ' N ' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -40.21 126.84 2.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.879 HG22 ' HE1' ' A' ' 36' ' ' TRP . 6.9 t -83.67 -175.87 6.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 110.39 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.561 ' CZ3' ' HG2' ' A' ' 23' ' ' ARG . 76.3 m95 -123.41 100.55 6.88 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -102.25 136.7 19.38 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 110.305 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.455 ' HA ' ' O ' ' A' ' 30' ' ' THR . 18.5 Cg_endo -74.95 139.5 24.5 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.436 1.756 . . . . 0.0 111.039 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.4 ' HG2' HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -42.98 -28.18 0.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.423 ' O ' HG23 ' A' ' 53' ' ' VAL . 2.6 tt0 -65.21 -44.12 89.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.251 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.445 ' N ' ' O ' ' A' ' 48' ' ' PRO . 0.6 OUTLIER -73.43 -29.59 62.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 109.59 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.447 ' CD1' ' HB2' ' A' ' 32' ' ' TYR . 25.1 mt -81.51 67.32 7.42 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.472 1.108 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 50' ' ' GLN . 72.8 t -81.99 142.71 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 22.7 m-20 55.89 27.29 10.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 59.5 m -121.66 2.68 10.11 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.451 1.094 . . . . 0.0 108.281 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.44 -38.23 8.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.429 1.08 . . . . 0.0 110.293 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -42.34 -66.34 0.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 110.307 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -52.24 -59.93 3.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.963 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.706 HG23 ' CE1' ' A' ' 32' ' ' TYR . 25.0 mt -45.43 -51.08 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 11.2 m80 -49.89 -59.71 3.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.561 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -53.6 -51.49 62.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.138 . . . . 0.0 109.288 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.573 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 10.5 t80 -55.24 -39.46 69.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 111.065 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -64.02 -36.52 84.25 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.513 1.133 . . . . 0.0 109.254 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.3 mmt85 -70.04 -58.03 4.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.255 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 110.302 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.302 -0.258 . . . . 0.0 110.302 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.503 HG22 HG21 ' A' ' 34' ' ' VAL . 7.5 t -64.5 121.98 14.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.412 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 20.1 tt0 -83.28 -51.03 7.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.345 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.412 ' HB3' ' O ' ' A' ' 17' ' ' GLU . 12.2 ptp180 177.52 165.68 0.62 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.57 1.169 . . . . 0.0 110.402 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.572 HD12 ' HB3' ' A' ' 32' ' ' TYR . 4.0 mm -94.95 131.81 40.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.728 ' HB ' HD23 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -111.27 -18.43 7.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.356 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.449 ' HB3' ' CH2' ' A' ' 46' ' ' TRP . 20.0 t0 -164.99 171.88 13.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.572 ' HG3' ' CD1' ' A' ' 32' ' ' TYR . 0.3 OUTLIER -161.49 132.73 5.36 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.438 1.086 . . . . 0.0 109.266 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.93 171.7 17.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.087 . . . . 0.0 110.282 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.1 ttpp -106.81 151.62 24.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.425 ' N ' ' O ' ' A' ' 29' ' ' LYS . 1.9 m-20 -85.31 165.29 17.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.145 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.75 -29.74 68.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.4 -29.21 62.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.544 1.152 . . . . 0.0 109.341 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 113.02 24.67 4.77 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.506 1.129 . . . . 0.0 110.979 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 25' ' ' ASN . 0.1 OUTLIER -98.39 137.22 37.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 0.789 . . . . 0.0 109.343 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.448 ' O ' ' HA ' ' A' ' 48' ' ' PRO . 12.9 m -80.86 131.21 35.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 110.362 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -130.24 130.86 45.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.34 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.765 ' CE1' HG23 ' A' ' 59' ' ' ILE . 68.3 m-85 -111.55 128.01 55.9 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.461 1.1 . . . . 0.0 110.993 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.728 HD23 ' HB ' ' A' ' 20' ' ' VAL . 6.8 tp -73.69 111.04 8.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.503 HG21 HG22 ' A' ' 16' ' ' VAL . 0.2 OUTLIER -126.15 144.59 35.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.153 . . . . 0.0 109.3 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.539 ' O ' ' CG ' ' A' ' 36' ' ' TRP . 0.0 OUTLIER -85.84 174.52 9.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.237 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.539 ' CG ' ' O ' ' A' ' 35' ' ' ARG . 3.6 m95 -161.51 165.0 29.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 107.99 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -75.22 138.3 41.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 0.0 109.278 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.26 -37.44 3.41 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.554 1.159 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -84.06 115.13 22.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 0.774 . . . . 0.0 111.011 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.416 ' N ' ' HB2' ' A' ' 43' ' ' ASP . 1.9 m-20 -53.42 -178.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.9 t -65.72 -41.67 91.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.122 . . . . 0.0 110.069 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -85.26 2.25 44.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 110.25 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.416 ' HB2' ' N ' ' A' ' 40' ' ' ASP . 0.5 OUTLIER -98.57 -8.64 26.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -40.32 144.69 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.368 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.441 ' OG1' ' NE1' ' A' ' 36' ' ' TRP . 72.5 p -110.64 165.78 11.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 110.422 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.491 ' NE1' HD13 ' A' ' 33' ' ' LEU . 64.0 m95 -110.29 116.75 32.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 108.001 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -114.51 135.79 22.31 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.267 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.448 ' HA ' ' O ' ' A' ' 30' ' ' THR . 18.1 Cg_endo -74.97 137.48 21.83 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.515 1.797 . . . . 0.0 111.012 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.99 -31.53 0.12 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.537 1.148 . . . . 0.0 110.311 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.506 ' O ' HG23 ' A' ' 53' ' ' VAL . 5.1 tt0 -60.01 -49.31 78.16 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.527 1.142 . . . . 0.0 110.334 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.43 ' N ' ' O ' ' A' ' 48' ' ' PRO . 0.3 OUTLIER -69.24 -20.73 63.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.655 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.502 ' CD2' HG21 ' A' ' 16' ' ' VAL . 22.9 mt -90.51 67.49 6.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.409 1.068 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 50' ' ' GLN . 71.3 t -82.55 145.28 8.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 31.5 m-20 52.94 23.82 3.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 109.274 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 85.0 m -116.28 -0.13 12.69 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.49 1.118 . . . . 0.0 108.263 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -41.81 -39.22 1.7 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.327 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -44.16 -68.79 0.17 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.454 1.096 . . . . 0.0 110.321 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -46.36 -61.84 1.62 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 111.01 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.765 HG23 ' CE1' ' A' ' 32' ' ' TYR . 64.1 mt -46.4 -53.12 2.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -47.86 -61.82 1.77 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.535 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -51.16 -48.89 61.76 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.451 1.094 . . . . 0.0 109.269 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.571 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 12.1 t80 -58.04 -39.23 77.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.981 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 59' ' ' ILE . 1.0 OUTLIER -67.2 -37.32 83.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.89 -52.29 66.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 110.285 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.403 ' N ' ' HD2' ' A' ' 65' ' ' ARG . 1.1 mpt_? . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.257 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.713 HG22 HG21 ' A' ' 34' ' ' VAL . 5.2 t -55.06 122.96 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -81.43 -49.64 10.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.331 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.408 ' O ' ' HA ' ' A' ' 34' ' ' VAL . 14.3 ptp180 177.88 164.93 0.67 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 0.0 110.323 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.577 ' HB ' ' CD2' ' A' ' 62' ' ' PHE . 4.4 mm -93.6 129.46 43.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.262 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.798 ' HB ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -107.41 -12.34 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.444 ' N ' ' HB3' ' A' ' 33' ' ' LEU . 24.9 t0 -174.23 179.12 1.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.329 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.571 ' HD2' ' CE1' ' A' ' 32' ' ' TYR . 1.6 tttt -169.38 128.43 1.0 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.413 ' NH1' ' HB3' ' A' ' 23' ' ' ARG . 2.6 mtp-105 -150.53 -178.95 6.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 110.351 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -104.64 148.98 25.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.589 1.181 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -76.36 -179.86 5.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.324 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.17 -36.71 72.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.583 1.177 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.42 -39.05 71.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 126.08 42.59 0.3 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.514 1.134 . . . . 0.0 110.966 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.5 mmtm -114.15 141.47 47.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 0.797 . . . . 0.0 109.339 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.443 ' O ' ' HA ' ' A' ' 48' ' ' PRO . 52.9 m -76.24 130.27 37.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 110.353 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.411 ' O ' ' HA ' ' A' ' 22' ' ' LYS . 31.7 mt-10 -129.1 140.8 51.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.25 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.571 ' CE1' ' HD2' ' A' ' 22' ' ' LYS . 49.8 m-85 -122.27 127.56 50.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.966 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.798 HD23 ' HB ' ' A' ' 20' ' ' VAL . 17.2 tp -73.65 109.02 6.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 109.358 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.713 HG21 HG22 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -124.7 137.77 56.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.267 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.539 ' C ' ' CG ' ' A' ' 36' ' ' TRP . 6.7 mmm-85 -84.26 176.49 8.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.278 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.647 ' CE2' HG22 ' A' ' 34' ' ' VAL . 2.3 m95 -161.72 157.01 23.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.584 1.177 . . . . 0.0 107.998 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.7 mmtt -64.94 156.91 29.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.115 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.04 -51.02 4.28 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.476 1.11 . . . . 0.0 111.063 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -89.39 140.64 29.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 0.747 . . . . 0.0 111.029 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 43' ' ' ASP . 3.3 m-20 -94.47 171.12 9.0 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.535 1.147 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.7 t -45.97 -56.83 4.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.059 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -51.79 -21.05 2.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.401 1.063 . . . . 0.0 110.319 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 40' ' ' ASP . 26.3 m-20 -113.41 42.11 2.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.257 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.515 ' CG ' HD11 ' A' ' 33' ' ' LEU . 8.5 p30 -83.77 176.08 9.2 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.412 1.07 . . . . 0.0 109.339 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.501 ' O ' HD12 ' A' ' 33' ' ' LEU . 67.5 p -136.17 168.8 18.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.424 1.078 . . . . 0.0 110.39 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.486 ' CE2' HD13 ' A' ' 33' ' ' LEU . 74.1 m95 -118.42 102.03 8.62 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.546 1.154 . . . . 0.0 107.975 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -99.95 134.6 20.82 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.095 . . . . 0.0 110.335 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.516 ' HG2' ' CG ' ' A' ' 51' ' ' HIS . 18.5 Cg_endo -74.95 142.53 28.15 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.537 1.809 . . . . 0.0 111.051 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -46.45 -50.27 17.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.262 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -50.8 -25.05 3.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 110.315 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.516 ' CG ' ' HG2' ' A' ' 48' ' ' PRO . 19.1 m170 -91.03 -26.11 19.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.574 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.629 HD22 HG21 ' A' ' 16' ' ' VAL . 74.2 mt -85.29 53.57 2.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.418 HG13 ' H ' ' A' ' 53' ' ' VAL . 1.0 OUTLIER -69.3 142.76 15.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.438 1.087 . . . . 0.0 109.238 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 59.32 18.36 6.63 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 80.4 m -120.49 9.97 11.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.583 1.177 . . . . 0.0 108.305 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -56.0 -33.45 64.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -45.18 -69.01 0.15 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.509 1.131 . . . . 0.0 110.301 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -49.68 -49.39 47.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 111.046 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.496 HG23 ' CE1' ' A' ' 32' ' ' TYR . 82.7 mt -52.58 -59.37 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.339 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -45.11 -51.51 10.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.577 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -58.42 -52.21 66.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.424 1.077 . . . . 0.0 109.336 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.577 ' CD2' ' HB ' ' A' ' 19' ' ' ILE . 10.3 t80 -56.8 -39.66 74.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 111.019 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.22 -49.0 77.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.143 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.49 -46.4 70.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 110.323 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.3 mmm180 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.311 179.988 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.272 -0.269 . . . . 0.0 110.272 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.708 HG22 HG21 ' A' ' 34' ' ' VAL . 4.3 t -55.84 121.22 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.406 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 12.6 tt0 -82.27 -51.28 8.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 110.267 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.406 ' HB3' ' O ' ' A' ' 17' ' ' GLU . 15.4 ptp180 177.58 165.61 0.63 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.573 1.171 . . . . 0.0 110.334 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.571 ' HB ' ' CD1' ' A' ' 62' ' ' PHE . 4.0 mm -94.19 131.22 41.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.345 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.719 ' HB ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -110.97 -19.23 7.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.264 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -162.06 168.61 22.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.086 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.565 ' HG3' ' CD1' ' A' ' 32' ' ' TYR . 0.7 OUTLIER -167.77 134.31 2.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.243 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.94 175.79 13.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.29 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.471 ' CG ' ' HA2' ' A' ' 28' ' ' GLY . 3.1 ttpt -100.81 150.14 23.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.169 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 35.9 m-20 -92.59 -179.85 5.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.36 -40.7 98.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.572 1.17 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 31.3 mttp -71.4 -10.86 60.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.471 ' HA2' ' CG ' ' A' ' 24' ' ' LYS . . . 93.1 15.54 51.28 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -80.25 139.13 36.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 0.758 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.405 HG23 ' HE3' ' A' ' 22' ' ' LYS . 12.7 m -86.23 122.42 30.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.133 . . . . 0.0 110.37 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.413 ' O ' ' HA ' ' A' ' 22' ' ' LYS . 3.3 mm-40 -115.27 142.66 46.37 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.452 1.095 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.643 ' CE1' HG23 ' A' ' 59' ' ' ILE . 42.5 m-85 -123.91 122.49 38.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.596 1.185 . . . . 0.0 110.94 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.719 HD23 ' HB ' ' A' ' 20' ' ' VAL . 7.0 tp -72.82 109.61 6.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.708 HG21 HG22 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -122.49 141.04 44.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.552 ' O ' ' CG ' ' A' ' 36' ' ' TRP . 22.3 mtm180 -83.27 176.64 9.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.256 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.621 ' CE2' HG22 ' A' ' 34' ' ' VAL . 3.3 m95 -162.17 149.47 13.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 108.04 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.17 148.78 39.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.34 -51.46 4.18 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.49 1.119 . . . . 0.0 110.961 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -55.29 124.61 17.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 0.737 . . . . 0.0 111.007 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.92 -175.04 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.25 -44.93 82.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.937 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.75 22.87 3.34 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 110.274 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -110.63 -18.5 13.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.097 . . . . 0.0 109.276 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -42.58 147.1 0.3 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 47.8 p -118.12 160.01 22.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.401 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.549 ' NE1' HD13 ' A' ' 33' ' ' LEU . 38.8 m95 -102.05 119.05 38.17 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -109.82 131.33 22.0 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.524 1.14 . . . . 0.0 110.321 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.459 ' HG2' ' CG ' ' A' ' 51' ' ' HIS . 18.3 Cg_endo -74.92 136.01 19.99 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.515 1.797 . . . . 0.0 111.029 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.32 -41.12 2.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.599 ' O ' HG23 ' A' ' 53' ' ' VAL . 22.0 tt0 -54.18 -41.08 68.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.332 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.459 ' CG ' ' HG2' ' A' ' 48' ' ' PRO . 0.3 OUTLIER -76.85 -32.24 57.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.587 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.458 ' CD2' HG21 ' A' ' 16' ' ' VAL . 26.2 mt -78.28 65.85 3.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 50' ' ' GLN . 48.6 t -87.36 138.39 19.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.255 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 68.32 9.91 7.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 26.5 m -118.36 19.77 13.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 108.335 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.83 -34.97 73.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 110.232 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -44.42 -64.31 0.71 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 110.314 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -48.81 -61.3 2.12 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.453 1.096 . . . . 0.0 110.986 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.643 HG23 ' CE1' ' A' ' 32' ' ' TYR . 11.5 mt -48.37 -41.71 11.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.254 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -61.61 -47.22 86.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.602 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -61.92 -45.47 93.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.162 . . . . 0.0 109.395 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.571 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 16.7 t80 -60.49 -38.89 85.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.42 1.075 . . . . 0.0 111.016 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.18 -48.57 75.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.425 1.078 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.8 mmt180 -58.02 -50.74 72.38 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.57 1.168 . . . . 0.0 110.289 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.5 mtt-85 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.572 1.17 . . . . 0.0 110.279 -179.969 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.606 HG22 HG21 ' A' ' 34' ' ' VAL . 6.2 t -69.45 120.2 16.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.444 ' OE2' ' NH1' ' A' ' 18' ' ' ARG . 10.8 tt0 -78.19 -51.58 10.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.316 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.444 ' NH1' ' OE2' ' A' ' 17' ' ' GLU . 9.3 ptp85 177.25 164.81 0.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 110.335 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.614 HD12 ' HB3' ' A' ' 32' ' ' TYR . 3.6 mm -93.52 131.29 40.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.258 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.698 ' HB ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -111.17 -18.36 7.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 109.32 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.448 ' OD1' ' N ' ' A' ' 22' ' ' LYS . 5.2 t0 -166.23 172.22 11.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.57 ' HD2' ' CE1' ' A' ' 32' ' ' TYR . 1.1 tttt -164.68 133.48 3.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.78 176.75 11.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 110.34 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.48 ' CG ' ' HA2' ' A' ' 28' ' ' GLY . 2.8 ttpt -104.88 146.02 29.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.42 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 1.6 m-20 -80.84 167.04 20.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.423 ' HG3' ' N ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -57.85 -31.72 66.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.313 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.423 ' N ' ' HG3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -75.89 -20.37 58.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.48 ' HA2' ' CG ' ' A' ' 24' ' ' LYS . . . 103.38 21.6 9.79 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.477 1.111 . . . . 0.0 110.946 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.27 139.02 31.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.43 0.723 . . . . 0.0 109.276 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.44 ' O ' ' HA ' ' A' ' 48' ' ' PRO . 31.3 m -82.41 126.17 31.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.577 1.173 . . . . 0.0 110.43 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -129.78 131.46 46.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.339 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.716 ' CE1' HG23 ' A' ' 59' ' ' ILE . 74.3 m-85 -108.75 128.98 55.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 111.036 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.698 HD23 ' HB ' ' A' ' 20' ' ' VAL . 6.6 tp -73.93 109.72 7.65 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.563 1.164 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.618 HG22 ' CE2' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -122.5 147.73 26.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.552 ' C ' ' CG ' ' A' ' 36' ' ' TRP . 24.0 mmm-85 -91.22 175.07 7.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.284 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.618 ' CE2' HG22 ' A' ' 34' ' ' VAL . 1.8 m95 -162.46 165.64 25.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.554 1.159 . . . . 0.0 107.997 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.59 146.76 46.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.16 -43.83 3.16 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.473 1.108 . . . . 0.0 111.016 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -81.96 122.71 28.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 0.783 . . . . 0.0 111.015 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.421 ' N ' ' HB2' ' A' ' 43' ' ' ASP . 0.5 OUTLIER -64.07 -158.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.403 1.064 . . . . 0.0 109.318 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.405 ' O ' ' CG ' ' A' ' 44' ' ' ASP . 0.5 OUTLIER -78.13 -37.87 45.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.974 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -87.34 10.53 17.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.421 ' HB2' ' N ' ' A' ' 40' ' ' ASP . 9.0 m-20 -107.71 -15.24 14.62 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.405 ' CG ' ' O ' ' A' ' 41' ' ' SER . 0.5 OUTLIER -40.05 140.9 0.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 109.334 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.405 ' OG1' ' NE1' ' A' ' 36' ' ' TRP . 55.6 p -109.22 161.54 15.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.409 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.465 ' NE1' HD13 ' A' ' 33' ' ' LEU . 63.4 m95 -106.41 113.83 27.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.537 1.148 . . . . 0.0 107.983 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -111.69 136.22 21.11 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 110.267 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.447 ' O ' ' N ' ' A' ' 51' ' ' HIS . 18.4 Cg_endo -74.94 134.85 18.43 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.554 1.818 . . . . 0.0 111.075 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.76 -31.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.317 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.521 ' O ' HG23 ' A' ' 53' ' ' VAL . 3.4 tt0 -56.92 -49.6 75.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.293 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.447 ' N ' ' O ' ' A' ' 48' ' ' PRO . 0.4 OUTLIER -70.6 -26.16 63.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.561 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.541 ' CD2' HG21 ' A' ' 16' ' ' VAL . 22.8 mt -84.21 69.35 10.41 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 50' ' ' GLN . 68.5 t -86.87 138.41 19.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 61.32 21.33 11.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.247 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 19.7 m -115.36 15.27 16.86 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.561 1.163 . . . . 0.0 108.307 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.18 -42.37 73.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.573 1.171 . . . . 0.0 110.31 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -40.98 -65.1 0.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.297 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -49.3 -62.02 1.77 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.383 1.052 . . . . 0.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.716 HG23 ' CE1' ' A' ' 32' ' ' TYR . 12.0 mt -46.79 -42.29 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.339 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -60.33 -59.65 5.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.608 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -52.34 -37.21 55.47 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.571 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 78.6 t80 -68.78 -28.46 66.8 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.527 1.142 . . . . 0.0 111.043 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -86.37 -43.1 13.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.425 ' HG3' ' N ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -69.36 -27.11 65.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.588 1.18 . . . . 0.0 110.314 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.425 ' N ' ' HG3' ' A' ' 64' ' ' ARG . 2.3 mmm180 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 110.367 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.648 HG22 HG21 ' A' ' 34' ' ' VAL . 4.0 t -72.56 116.94 15.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.412 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 22.1 tt0 -68.65 -53.0 25.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.552 1.157 . . . . 0.0 110.357 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.412 ' HB3' ' O ' ' A' ' 17' ' ' GLU . 15.2 ptp180 177.13 165.07 0.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.573 1.171 . . . . 0.0 110.277 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.598 HG21 ' HD1' ' A' ' 32' ' ' TYR . 5.4 mm -90.01 123.89 42.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.566 1.166 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -102.17 -20.75 5.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.525 1.141 . . . . 0.0 109.277 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.503 ' HB3' ' CH2' ' A' ' 46' ' ' TRP . 7.5 t0 -163.64 175.54 10.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.229 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.571 ' HG3' ' CD1' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -171.56 128.97 0.67 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -153.42 179.71 8.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.143 . . . . 0.0 110.246 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.73 157.91 26.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 25.1 m-20 -101.77 170.62 8.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.246 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.78 -31.17 37.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.24 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -67.74 -41.85 82.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 0.0 109.341 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 116.38 11.84 9.36 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.487 1.117 . . . . 0.0 110.955 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -80.49 135.66 36.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 0.752 . . . . 0.0 109.277 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 53.1 m -84.62 126.94 33.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 110.362 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.432 ' OE2' ' N ' ' A' ' 48' ' ' PRO . 5.4 mm-40 -124.77 139.92 53.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.331 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.598 ' HD1' HG21 ' A' ' 19' ' ' ILE . 43.9 m-85 -121.13 120.09 34.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 110.992 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.618 HD13 ' NE1' ' A' ' 46' ' ' TRP . 51.5 tp -71.21 109.57 5.33 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.648 HG21 HG22 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -119.9 143.41 31.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.458 1.098 . . . . 0.0 109.265 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.553 ' O ' ' CG ' ' A' ' 36' ' ' TRP . 0.0 OUTLIER -85.19 176.49 8.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.098 . . . . 0.0 110.25 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.632 ' CH2' HG22 ' A' ' 16' ' ' VAL . 2.7 m95 -162.48 151.33 15.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 108.022 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.18 143.07 55.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.354 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.2 -45.91 3.02 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.518 1.136 . . . . 0.0 111.04 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -83.59 129.23 34.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 0.744 . . . . 0.0 110.956 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.423 ' N ' ' HB2' ' A' ' 43' ' ' ASP . 4.3 m-20 -71.69 -170.19 0.52 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.8 t -66.73 -51.79 51.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 110.029 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -64.46 -12.29 42.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.436 1.085 . . . . 0.0 110.319 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.423 ' HB2' ' N ' ' A' ' 40' ' ' ASP . 1.8 m-20 -92.99 -21.63 19.65 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -41.07 146.16 0.18 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.423 ' OG1' ' NE1' ' A' ' 36' ' ' TRP . 74.7 p -113.0 170.71 8.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.413 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.618 ' NE1' HD13 ' A' ' 33' ' ' LEU . 57.9 m95 -114.54 113.17 24.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 108.019 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -105.38 133.62 20.08 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.342 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.507 ' HG2' ' CG ' ' A' ' 51' ' ' HIS . 18.4 Cg_endo -74.93 138.05 22.69 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.472 1.775 . . . . 0.0 111.063 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.464 ' HG2' HD13 ' A' ' 59' ' ' ILE . 0.2 OUTLIER -43.26 -56.11 3.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -47.58 -31.31 4.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.316 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.507 ' CG ' ' HG2' ' A' ' 48' ' ' PRO . 7.2 m170 -83.62 -31.95 25.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.626 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.63 ' CD2' HG21 ' A' ' 16' ' ' VAL . 36.9 mt -77.72 64.79 3.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.359 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.0 t -83.88 142.42 13.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 0.0 109.27 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 65.15 12.13 7.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.347 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 32.0 m -124.02 18.45 9.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 108.307 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -59.83 -35.89 75.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.345 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 50.0 tt0 -42.68 -65.12 0.51 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.328 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -49.62 -57.55 6.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.964 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.514 HG23 ' CE1' ' A' ' 32' ' ' TYR . 81.2 mt -49.77 -53.69 9.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 23.5 m80 -50.25 -50.92 48.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.548 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -60.04 -59.67 5.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.576 ' CD2' ' HB ' ' A' ' 19' ' ' ILE . 4.4 t80 -49.35 -47.78 47.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -54.16 -46.8 72.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.8 mmt-85 -57.94 -54.73 43.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.423 1.077 . . . . 0.0 110.28 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.2 mmm180 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.312 -179.937 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.609 HG22 HG21 ' A' ' 34' ' ' VAL . 5.3 t -62.57 122.5 13.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.413 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 11.6 tt0 -77.67 -50.27 12.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.413 ' HB3' ' O ' ' A' ' 17' ' ' GLU . 8.4 ptp180 177.59 168.41 0.66 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 110.255 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.569 HD12 ' HB3' ' A' ' 32' ' ' TYR . 2.9 mm -96.58 129.42 46.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.717 ' HB ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -108.53 -12.24 10.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.1 . . . . 0.0 109.264 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.42 ' HB3' ' CH2' ' A' ' 46' ' ' TRP . 16.2 t0 -173.47 167.78 4.61 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.425 1.078 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.58 ' HG3' ' CE1' ' A' ' 32' ' ' TYR . 0.5 OUTLIER -159.44 139.27 11.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 109.331 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.438 ' N ' ' HG2' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -163.46 179.67 7.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.31 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -110.45 162.6 14.52 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.418 ' ND2' ' O ' ' A' ' 29' ' ' LYS . 0.7 OUTLIER -109.43 175.94 5.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.27 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.34 -18.99 65.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.416 1.072 . . . . 0.0 109.344 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.6 mttt -77.18 -42.55 37.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.259 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 119.04 -0.58 14.78 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.443 1.089 . . . . 0.0 111.043 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.533 ' N ' ' CD ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -78.4 142.2 37.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 0.734 . . . . 0.0 109.226 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.54 HG22 ' CE2' ' A' ' 32' ' ' TYR . 7.6 m -85.37 121.67 28.42 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.532 1.145 . . . . 0.0 110.379 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -116.05 150.18 37.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.11 . . . . 0.0 110.333 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.58 ' CE1' ' HG3' ' A' ' 22' ' ' LYS . 72.2 m-85 -130.53 127.75 39.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.966 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.717 HD23 ' HB ' ' A' ' 20' ' ' VAL . 6.8 tp -73.54 109.52 7.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.609 HG21 HG22 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -123.8 144.32 33.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.251 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.556 ' O ' ' CG ' ' A' ' 36' ' ' TRP . 1.1 mmp_? -86.85 176.02 7.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 110.26 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.598 ' CH2' HG22 ' A' ' 16' ' ' VAL . 2.2 m95 -162.81 155.97 19.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 108.032 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -84.9 165.2 17.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.5 -36.95 3.34 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.491 1.119 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.403 ' HB3' ' CB ' ' A' ' 43' ' ' ASP . 31.7 m-85 -92.98 172.15 8.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 0.772 . . . . 0.0 110.932 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -79.13 -173.92 3.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.4 m -79.72 -36.18 37.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.941 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -91.17 26.57 2.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.608 1.193 . . . . 0.0 110.275 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 44' ' ' ASP . 9.4 t0 -106.46 -13.93 15.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 43' ' ' ASP . 2.2 p30 -39.73 132.61 1.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.248 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.8 p -111.5 -177.41 3.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 110.445 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.443 ' NE1' HD13 ' A' ' 33' ' ' LEU . 61.1 m95 -119.78 112.87 19.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 108.051 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -108.06 141.35 22.97 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 110.292 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.493 ' HG2' ' CG ' ' A' ' 51' ' ' HIS . 18.4 Cg_endo -75.01 134.9 18.35 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.485 1.781 . . . . 0.0 110.98 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -40.38 -44.0 1.88 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.09 . . . . 0.0 110.338 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -52.09 -43.44 63.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.601 1.188 . . . . 0.0 110.347 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.493 ' CG ' ' HG2' ' A' ' 48' ' ' PRO . 0.3 OUTLIER -76.27 -20.91 56.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.556 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.52 HD22 HG21 ' A' ' 16' ' ' VAL . 29.9 mt -92.1 64.37 4.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.258 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 71.0 t -73.9 139.25 19.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 67.77 12.25 8.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.472 ' SG ' HG11 ' A' ' 16' ' ' VAL . 47.2 t -90.69 -22.0 21.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.579 1.174 . . . . 0.0 108.231 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 55' ' ' CYS . 31.8 mt-10 -36.01 -39.4 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.292 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -53.86 -53.13 56.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.288 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.454 ' N ' ' O ' ' A' ' 55' ' ' CYS . 50.8 m-85 -66.38 -52.87 42.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.986 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.53 HG23 ' CE1' ' A' ' 32' ' ' TYR . 6.4 mt -48.78 -50.25 13.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -46.58 -62.98 1.13 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.625 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -50.81 -49.87 57.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.356 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.568 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 11.1 t80 -56.14 -40.72 74.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 110.949 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -65.2 -43.26 92.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 -53.55 -52.51 59.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.6 mmt180 . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.542 1.151 . . . . 0.0 110.275 -179.98 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.337 -0.245 . . . . 0.0 110.337 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.579 HG22 HG21 ' A' ' 34' ' ' VAL . 11.7 t -59.25 126.36 16.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.259 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -86.99 -48.55 8.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.431 1.082 . . . . 0.0 110.239 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 177.76 166.2 0.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.322 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.546 ' HB ' ' CD1' ' A' ' 62' ' ' PHE . 3.6 mm -95.19 128.74 46.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.708 ' HB ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -108.34 -12.64 10.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.498 ' HB3' ' CH2' ' A' ' 46' ' ' TRP . 15.0 t0 -174.71 173.19 2.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.571 ' HD2' ' CE1' ' A' ' 32' ' ' TYR . 0.5 OUTLIER -162.95 137.79 6.53 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.418 ' N ' ' HG2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -158.4 -179.02 7.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 110.241 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.19 161.79 17.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -99.38 173.21 6.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.15 -35.22 64.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.353 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.91 -30.19 67.55 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 108.86 11.51 22.59 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.451 1.094 . . . . 0.0 111.08 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp -76.32 136.5 39.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 0.741 . . . . 0.0 109.336 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.426 HG23 ' HE2' ' A' ' 22' ' ' LYS . 48.6 m -78.61 132.73 37.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.429 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -134.05 143.93 48.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.583 ' CE1' HG23 ' A' ' 59' ' ' ILE . 73.0 m-85 -123.48 127.43 48.36 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.517 1.136 . . . . 0.0 110.964 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.708 HD23 ' HB ' ' A' ' 20' ' ' VAL . 6.7 tp -74.13 110.6 8.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.615 HG22 ' CE2' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -123.84 145.76 30.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.09 . . . . 0.0 109.239 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.58 ' NH1' HG11 ' A' ' 20' ' ' VAL . 1.9 mtm-85 -88.58 174.26 8.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 110.3 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.615 ' CE2' HG22 ' A' ' 34' ' ' VAL . 1.9 m95 -162.28 161.19 27.55 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.498 1.124 . . . . 0.0 107.996 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.9 mttt -64.5 141.79 58.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 109.212 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.27 -40.48 3.08 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.499 1.124 . . . . 0.0 110.988 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -73.18 115.24 12.28 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.52 0.776 . . . . 0.0 111.005 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -63.15 -156.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.15 . . . . 0.0 109.272 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.1 t -76.01 -48.54 20.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.943 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -90.68 24.2 2.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 110.248 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 44' ' ' ASP . 1.4 t0 -110.98 -29.45 7.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.346 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 43' ' ' ASP . 5.0 m-20 -39.34 152.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.416 ' O ' HD12 ' A' ' 33' ' ' LEU . 15.7 p -118.69 -175.63 2.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.385 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.541 ' NE1' HD13 ' A' ' 33' ' ' LEU . 59.9 m95 -121.85 118.71 29.62 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 108.019 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -114.79 139.77 24.57 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.585 1.178 . . . . 0.0 110.337 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.448 ' O ' ' N ' ' A' ' 51' ' ' HIS . 18.2 Cg_endo -74.96 137.12 21.39 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.459 1.768 . . . . 0.0 110.988 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -40.71 -41.03 1.44 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -53.66 -44.57 69.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.34 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.448 ' N ' ' O ' ' A' ' 48' ' ' PRO . 0.3 OUTLIER -76.75 -18.43 58.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.579 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.476 ' CD1' ' HB2' ' A' ' 32' ' ' TYR . 29.7 mt -94.8 65.16 2.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.1 m -79.03 141.37 15.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.341 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 65.53 16.71 10.64 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.555 1.159 . . . . 0.0 109.25 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.407 ' O ' ' C ' ' A' ' 56' ' ' GLU . 4.5 t -100.75 -15.08 17.79 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.507 1.129 . . . . 0.0 108.26 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 55' ' ' CYS . 10.9 mt-10 -37.26 -40.42 0.33 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.327 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -50.83 -56.1 13.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 110.275 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -62.48 -53.41 55.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 110.973 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.583 HG23 ' CE1' ' A' ' 32' ' ' TYR . 10.6 mt -49.48 -41.79 16.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -60.47 -47.69 85.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 109.577 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -63.63 -25.56 68.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.546 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 61.9 t80 -83.71 -29.08 27.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 111.033 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -82.11 -31.31 30.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -75.73 -27.26 58.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 110.333 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.424 ' N ' ' HG3' ' A' ' 64' ' ' ARG . 1.9 mmm180 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.31 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.745 HG21 HD22 ' A' ' 52' ' ' LEU . 4.1 t -71.21 118.55 16.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.406 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 18.2 tt0 -75.47 -51.77 12.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.406 ' HB3' ' O ' ' A' ' 17' ' ' GLU . 15.6 ptp180 177.73 167.88 0.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.366 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.567 ' HB ' ' CD2' ' A' ' 62' ' ' PHE . 4.1 mm -96.08 130.31 44.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.218 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.699 ' HB ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -109.71 -22.31 5.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.467 1.104 . . . . 0.0 109.246 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.49 ' HB3' ' CH2' ' A' ' 46' ' ' TRP . 14.9 t0 -161.82 169.75 20.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.569 ' HG3' ' CD1' ' A' ' 32' ' ' TYR . 3.8 tttm -153.79 139.97 18.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.453 1.095 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.432 ' N ' ' HG2' ' A' ' 22' ' ' LYS . 0.6 OUTLIER -158.65 -179.11 7.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.37 149.96 24.92 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.46 1.1 . . . . 0.0 109.326 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -78.6 179.85 6.87 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.541 1.15 . . . . 0.0 109.253 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.9 tmmm? -70.74 -37.75 73.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.255 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.27 -32.16 64.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 119.23 35.45 0.94 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -105.45 140.83 37.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 0.774 . . . . 0.0 109.259 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.458 ' O ' ' HA ' ' A' ' 48' ' ' PRO . 89.1 m -68.13 122.87 19.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 110.353 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -118.5 139.84 50.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 110.324 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.569 ' CD1' ' HG3' ' A' ' 22' ' ' LYS . 51.9 m-85 -125.83 125.0 42.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.142 . . . . 0.0 111.054 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.699 HD23 ' HB ' ' A' ' 20' ' ' VAL . 6.4 tp -73.22 110.39 7.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 109.265 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.65 HG21 HG22 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -123.89 142.96 38.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.464 1.102 . . . . 0.0 109.262 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.541 ' O ' ' CG ' ' A' ' 36' ' ' TRP . 0.8 OUTLIER -84.88 176.13 8.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.331 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.6 ' CE2' HG22 ' A' ' 34' ' ' VAL . 2.8 m95 -162.4 151.17 15.0 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.4 pttt -68.99 154.89 41.29 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.72 -42.27 3.06 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.538 1.149 . . . . 0.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -83.88 157.88 21.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 0.764 . . . . 0.0 111.051 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.12 -157.34 0.19 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.6 p -86.49 -41.57 14.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.948 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -83.24 3.49 30.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.382 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -96.87 -11.12 25.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.454 ' OD1' ' N ' ' A' ' 44' ' ' ASP . 1.0 OUTLIER -42.43 141.62 0.95 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.311 179.915 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.446 ' OG1' ' NE1' ' A' ' 36' ' ' TRP . 70.8 p -112.21 166.39 11.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 110.38 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.49 ' CH2' ' HB3' ' A' ' 21' ' ' ASP . 61.2 m95 -108.78 124.84 51.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 108.026 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -118.63 137.19 24.59 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 110.244 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.458 ' HA ' ' O ' ' A' ' 30' ' ' THR . 18.2 Cg_endo -75.04 138.42 22.9 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.428 1.752 . . . . 0.0 110.96 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.559 ' HG2' HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -45.91 -45.56 15.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.249 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -53.88 -28.64 37.56 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.457 ' CG ' ' HG2' ' A' ' 48' ' ' PRO . 19.0 m170 -90.67 -22.54 21.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.643 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.745 HD22 HG21 ' A' ' 16' ' ' VAL . 85.3 mt -86.9 54.1 3.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -72.15 144.3 13.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.148 . . . . 0.0 109.233 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 58.92 16.95 4.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 109.285 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 71.5 m -120.58 4.13 10.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.16 . . . . 0.0 108.286 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.404 ' HA ' HD12 ' A' ' 59' ' ' ILE . 2.3 mt-10 -51.77 -35.44 43.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -42.25 -62.51 0.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -55.7 -52.39 64.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 111.031 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.559 HD13 ' HG2' ' A' ' 49' ' ' GLU . 30.2 mt -51.32 -49.75 29.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 29.2 m80 -55.2 -48.83 73.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.621 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -60.82 -37.39 81.85 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.567 ' CD2' ' HB ' ' A' ' 19' ' ' ILE . 39.3 t80 -70.57 -28.94 65.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 111.044 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -85.87 -36.17 20.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.13 . . . . 0.0 109.346 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.437 ' HG3' ' N ' ' A' ' 65' ' ' ARG . 0.1 OUTLIER -78.29 -26.31 46.99 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.437 ' N ' ' HG3' ' A' ' 64' ' ' ARG . 1.9 mmm180 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 110.293 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.731 HG22 HG21 ' A' ' 34' ' ' VAL . 4.1 t -59.74 119.98 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.404 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 14.0 tt0 -75.75 -50.93 13.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 110.305 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.447 ' O ' ' HA ' ' A' ' 34' ' ' VAL . 14.6 ptp180 177.64 163.66 0.59 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.433 1.083 . . . . 0.0 110.286 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.573 ' HB ' ' CD1' ' A' ' 62' ' ' PHE . 4.4 mm -89.53 128.39 41.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.697 ' HB ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -106.61 -14.36 9.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 -179.927 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.491 ' HB3' ' CH2' ' A' ' 46' ' ' TRP . 13.2 t0 -170.71 168.91 7.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.587 ' HG3' ' CE1' ' A' ' 32' ' ' TYR . 0.6 OUTLIER -156.8 139.03 14.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 0.0 109.271 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.465 ' O ' ' CG ' ' A' ' 31' ' ' GLU . 0.5 OUTLIER -161.9 -178.37 6.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.436 1.085 . . . . 0.0 110.272 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -116.6 162.01 18.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 -99.62 169.78 9.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.73 -29.28 62.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.0 mttm -72.7 -34.41 67.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.165 . . . . 0.0 109.325 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 115.42 8.0 15.27 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.507 1.129 . . . . 0.0 111.028 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.2 mmmt -78.46 134.63 37.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.542 0.789 . . . . 0.0 109.293 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.462 ' O ' ' HA ' ' A' ' 48' ' ' PRO . 20.9 m -77.65 129.34 35.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.422 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.602 ' OE2' ' CE3' ' A' ' 46' ' ' TRP . 8.7 pt-20 -123.49 149.12 45.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.323 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.687 ' CE1' HG23 ' A' ' 59' ' ' ILE . 51.9 m-85 -131.59 119.56 21.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.697 HD23 ' HB ' ' A' ' 20' ' ' VAL . 6.1 tp -70.96 112.96 7.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.731 HG21 HG22 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -117.27 157.05 18.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.579 ' O ' ' CG ' ' A' ' 36' ' ' TRP . 0.0 OUTLIER -96.57 175.86 6.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.32 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.603 ' CE2' HG22 ' A' ' 34' ' ' VAL . 2.0 m95 -163.64 178.77 7.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.584 1.178 . . . . 0.0 107.996 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -123.89 161.24 25.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.79 -55.33 4.38 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.467 1.105 . . . . 0.0 111.052 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.635 ' CD2' ' O ' ' A' ' 40' ' ' ASP . 2.7 p90 -73.33 155.6 39.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 0.784 . . . . 0.0 110.971 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.635 ' O ' ' CD2' ' A' ' 39' ' ' TYR . 0.7 OUTLIER -59.75 144.99 46.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.2 t -67.25 -28.64 68.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.004 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -87.08 28.22 0.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.248 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 44' ' ' ASP . 0.2 OUTLIER -128.66 13.02 6.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.363 179.93 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.519 ' HB2' HD11 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -37.48 154.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.94 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -132.99 160.06 38.21 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.434 1.084 . . . . 0.0 110.37 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.602 ' CE3' ' OE2' ' A' ' 31' ' ' GLU . 62.2 m95 -112.76 109.3 18.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 108.027 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -102.2 137.68 19.52 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.329 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.532 ' HG2' ' CD2' ' A' ' 51' ' ' HIS . 18.2 Cg_endo -75.01 143.44 29.03 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.509 1.794 . . . . 0.0 111.005 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.32 -36.34 6.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 110.329 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.42 ' O ' HG23 ' A' ' 53' ' ' VAL . 6.1 tt0 -60.25 -32.81 71.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.239 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.532 ' CD2' ' HG2' ' A' ' 48' ' ' PRO . 26.1 m170 -79.39 -34.25 42.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.63 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.664 HD22 HG21 ' A' ' 16' ' ' VAL . 20.7 mt -80.78 68.33 6.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 50' ' ' GLN . 69.0 t -84.39 136.28 23.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.357 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 69.38 8.56 6.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.351 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 16.2 m -109.48 18.59 20.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 108.334 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -52.46 -46.39 66.48 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.144 . . . . 0.0 110.327 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -41.17 -69.18 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.301 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -41.86 -59.44 1.7 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 111.008 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.687 HG23 ' CE1' ' A' ' 32' ' ' TYR . 31.1 mt -52.4 -51.45 32.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.575 1.172 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -51.44 -62.5 1.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.59 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -50.99 -50.61 58.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.379 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.573 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 8.7 t80 -54.56 -40.0 68.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.99 -48.04 80.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.7 mmt85 -57.27 -57.51 12.29 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.446 1.092 . . . . 0.0 110.322 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.4 mmm180 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.409 1.068 . . . . 0.0 110.267 -179.972 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.637 HG21 ' CD2' ' A' ' 52' ' ' LEU . 3.9 t -72.36 116.28 14.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.342 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -70.68 -52.62 19.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.335 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.407 ' O ' ' HA ' ' A' ' 34' ' ' VAL . 10.1 ptm180 177.54 169.36 0.64 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.284 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.557 ' HB ' ' CD1' ' A' ' 62' ' ' PHE . 4.6 mm -97.58 129.31 47.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.67 ' HB ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -108.16 -22.7 4.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 109.258 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.553 ' HB3' ' CH2' ' A' ' 46' ' ' TRP . 15.3 t0 -161.05 171.77 18.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.56 ' HG3' ' CD1' ' A' ' 32' ' ' TYR . 2.5 tttm -156.05 139.52 15.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.425 ' N ' ' HG2' ' A' ' 22' ' ' LYS . 0.2 OUTLIER -156.8 174.7 15.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.378 1.049 . . . . 0.0 110.344 179.902 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 0.6 OUTLIER -118.69 157.18 27.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.454 ' ND2' ' OE2' ' A' ' 31' ' ' GLU . 28.9 m-20 -95.11 170.1 9.64 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.558 1.162 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.01 -33.0 64.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.67 -33.32 72.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.138 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 111.37 19.2 7.64 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.483 1.114 . . . . 0.0 110.956 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -84.37 135.81 34.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.556 0.798 . . . . 0.0 109.289 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.442 HG23 ' HE2' ' A' ' 22' ' ' LYS . 51.4 m -76.95 122.11 24.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.095 . . . . 0.0 110.359 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.454 ' OE2' ' ND2' ' A' ' 25' ' ' ASN . 2.2 mp0 -120.63 124.88 46.32 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.514 1.134 . . . . 0.0 110.298 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.56 ' CD1' ' HG3' ' A' ' 22' ' ' LYS . 54.0 m-85 -109.55 126.37 53.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.991 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.67 HD23 ' HB ' ' A' ' 20' ' ' VAL . 4.4 tp -73.48 113.17 10.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.626 HG22 ' CE2' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -125.34 147.55 30.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.341 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.553 ' C ' ' CG ' ' A' ' 36' ' ' TRP . 10.5 mtm180 -90.84 175.38 7.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.262 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.626 ' CE2' HG22 ' A' ' 34' ' ' VAL . 1.9 m95 -162.7 164.51 26.41 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.28 144.69 37.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.94 -38.57 3.17 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -89.05 114.1 25.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 0.776 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.417 ' N ' ' HB2' ' A' ' 43' ' ' ASP . 57.3 m-20 -51.34 178.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.404 ' O ' ' CG ' ' A' ' 44' ' ' ASP . 5.0 t -67.33 -34.08 76.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.049 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.54 6.83 39.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.417 ' HB2' ' N ' ' A' ' 40' ' ' ASP . 0.7 OUTLIER -107.62 -8.24 16.21 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.404 ' CG ' ' O ' ' A' ' 41' ' ' SER . 10.7 m-20 -40.06 156.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.586 1.179 . . . . 0.0 109.294 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 69.8 p -122.38 162.31 21.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.418 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.553 ' CH2' ' HB3' ' A' ' 21' ' ' ASP . 68.7 m95 -106.94 101.34 10.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.629 1.206 . . . . 0.0 108.02 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -94.58 149.23 36.21 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 0.0 110.356 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.509 ' HG2' ' CG ' ' A' ' 51' ' ' HIS . 18.2 Cg_endo -74.98 159.67 41.14 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.542 1.811 . . . . 0.0 110.98 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -73.58 -27.62 61.41 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 110.238 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -72.68 -24.75 61.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 110.369 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.509 ' CG ' ' HG2' ' A' ' 48' ' ' PRO . 10.0 m170 -85.79 -28.62 24.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.553 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.637 ' CD2' HG21 ' A' ' 16' ' ' VAL . 45.3 mt -78.56 63.66 3.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 52.8 t -88.48 141.23 14.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.359 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 64.3 13.2 7.8 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 87.0 m -123.68 8.26 8.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 108.323 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.595 ' HA ' HD12 ' A' ' 59' ' ' ILE . 1.3 mt-10 -54.62 -28.56 47.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.31 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -44.61 -67.46 0.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.265 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -49.41 -53.32 23.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.563 1.164 . . . . 0.0 110.941 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.595 HD12 ' HA ' ' A' ' 56' ' ' GLU . 21.1 mt -48.18 -45.84 13.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -59.55 -45.74 90.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.66 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -63.08 -36.25 82.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.285 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.557 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 61.3 t80 -72.18 -26.38 62.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.973 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -88.69 -30.99 18.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.248 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.436 ' HG3' ' N ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -85.07 -26.97 26.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.264 -179.909 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.436 ' N ' ' HG3' ' A' ' 64' ' ' ARG . 3.1 mmm180 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.277 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.234 0 N-CA-C 110.34 -0.245 . . . . 0.0 110.34 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.63 HG22 HG21 ' A' ' 34' ' ' VAL . 16.7 t -55.28 126.07 11.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.576 1.173 . . . . 0.0 109.272 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -85.55 -48.7 8.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 110.287 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.422 ' O ' ' HA ' ' A' ' 34' ' ' VAL . 7.2 ptm180 177.65 164.27 0.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.362 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.572 ' HB ' ' CD1' ' A' ' 62' ' ' PHE . 4.1 mm -93.52 127.68 45.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.577 1.173 . . . . 0.0 109.328 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.611 ' HB ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -104.89 -15.58 8.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.556 1.16 . . . . 0.0 109.321 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.45 ' N ' ' HB3' ' A' ' 33' ' ' LEU . 17.9 t0 -173.44 179.52 2.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.576 ' HG3' ' CD2' ' A' ' 32' ' ' TYR . 0.7 OUTLIER -172.27 131.7 0.62 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.236 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.4 ptp85 -150.94 179.85 7.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 110.289 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.447 ' CG ' ' HA2' ' A' ' 28' ' ' GLY . 19.1 ttpt -108.74 151.66 25.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.234 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -90.04 -179.9 5.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.06 -44.57 95.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.84 -29.23 70.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.349 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.447 ' HA2' ' CG ' ' A' ' 24' ' ' LYS . . . 111.57 24.12 5.42 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.487 1.117 . . . . 0.0 111.03 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.85 138.61 31.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 0.776 . . . . 0.0 109.358 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.488 HG22 ' CE1' ' A' ' 32' ' ' TYR . 16.0 m -84.09 123.53 30.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.125 . . . . 0.0 110.373 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -123.96 129.02 50.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 110.29 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.759 ' CE2' HG23 ' A' ' 59' ' ' ILE . 71.4 m-85 -109.83 130.92 55.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.762 HD13 ' CE2' ' A' ' 46' ' ' TRP . 20.2 tp -75.27 107.82 7.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.645 HG22 ' CE2' ' A' ' 36' ' ' TRP . 0.2 OUTLIER -123.84 140.12 48.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.543 1.152 . . . . 0.0 109.319 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.523 ' C ' ' CG ' ' A' ' 36' ' ' TRP . 7.2 mmm180 -85.72 173.91 9.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.275 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.645 ' CE2' HG22 ' A' ' 34' ' ' VAL . 2.4 m95 -161.13 160.06 29.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 108.021 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.8 pttt -67.86 146.81 53.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.36 -43.08 3.17 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.485 1.116 . . . . 0.0 110.957 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -82.8 117.27 22.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 110.99 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -57.9 -167.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.0 t -75.33 -36.98 60.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.981 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -86.94 -3.92 59.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.57 1.169 . . . . 0.0 110.328 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.32 -14.67 25.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 109.266 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -40.7 159.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.115 . . . . 0.0 109.257 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.45 ' OG1' ' N ' ' A' ' 46' ' ' TRP . 0.8 OUTLIER -129.92 173.76 10.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.406 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.762 ' CE2' HD13 ' A' ' 33' ' ' LEU . 83.9 m95 -111.87 123.64 50.67 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.915 -1.142 . . . . 0.0 107.915 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -118.89 139.14 26.85 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 110.335 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.479 ' HA ' ' O ' ' A' ' 30' ' ' THR . 18.2 Cg_endo -74.99 134.79 18.26 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.448 1.762 . . . . 0.0 110.959 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -39.6 -46.89 1.87 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -49.66 -44.48 47.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.272 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.47 ' CG ' ' HG2' ' A' ' 48' ' ' PRO . 24.8 m170 -74.05 -22.17 59.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.57 1.169 . . . . 0.0 109.641 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.535 HD21 HG11 ' A' ' 34' ' ' VAL . 22.7 mt -91.6 66.49 5.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.085 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.9 m -79.11 143.46 12.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.242 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 63.12 16.28 9.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.417 ' O ' ' C ' ' A' ' 56' ' ' GLU . 5.0 t -100.73 -14.83 17.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 108.344 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 55' ' ' CYS . 10.4 mt-10 -36.78 -43.77 0.45 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 110.337 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -47.86 -56.72 6.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 110.273 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -61.21 -54.62 41.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.57 1.169 . . . . 0.0 111.035 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.759 HG23 ' CE2' ' A' ' 32' ' ' TYR . 12.9 mt -50.48 -54.5 8.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.593 1.183 . . . . 0.0 109.252 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -43.73 -62.86 0.97 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.593 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -51.75 -52.3 49.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.572 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 9.4 t80 -53.12 -40.24 64.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 110.975 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.6 -34.68 78.83 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -70.35 -59.62 2.75 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.53 1.144 . . . . 0.0 110.301 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.297 -0.261 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.817 HG22 ' CH2' ' A' ' 36' ' ' TRP . 11.2 t -61.59 122.77 13.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.414 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 11.5 tt0 -77.94 -49.85 13.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.414 ' HB3' ' O ' ' A' ' 17' ' ' GLU . 14.8 ptp180 177.68 167.26 0.68 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.107 . . . . 0.0 110.29 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.622 HD12 ' HB3' ' A' ' 32' ' ' TYR . 4.6 mm -96.12 128.19 47.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.421 1.076 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.612 ' HB ' HD23 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -104.38 -14.52 8.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.567 ' HB3' ' CH2' ' A' ' 46' ' ' TRP . 3.7 t0 -169.35 167.79 9.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.574 ' HG3' ' CD1' ' A' ' 32' ' ' TYR . 1.9 tttm -155.63 138.3 15.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.415 ' N ' ' HG2' ' A' ' 22' ' ' LYS . 0.7 OUTLIER -157.1 174.73 15.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 110.215 -179.918 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -106.97 152.97 23.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -83.83 177.13 8.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.331 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.68 -37.26 79.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.118 . . . . 0.0 109.287 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -70.39 -36.16 73.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 122.08 38.23 0.61 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -105.18 139.53 39.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.571 0.807 . . . . 0.0 109.248 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.466 ' O ' ' HA ' ' A' ' 48' ' ' PRO . 17.7 m -79.15 121.55 25.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.385 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -113.73 145.04 41.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.293 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.622 ' HB3' HD12 ' A' ' 19' ' ' ILE . 39.9 m-85 -130.38 113.2 14.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 111.016 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.612 HD23 ' HB ' ' A' ' 20' ' ' VAL . 3.4 tp -67.93 116.22 8.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.58 1.175 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.626 HG22 ' CE2' ' A' ' 36' ' ' TRP . 0.2 OUTLIER -122.43 123.21 68.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.445 ' CD ' ' O ' ' A' ' 35' ' ' ARG . 0.1 OUTLIER -84.68 119.29 25.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.817 ' CH2' HG22 ' A' ' 16' ' ' VAL . 0.7 OUTLIER -108.83 175.61 5.4 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.45 161.14 28.9 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.574 1.171 . . . . 0.0 109.334 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.4 -51.5 3.95 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.503 1.127 . . . . 0.0 110.986 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -71.79 120.93 18.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 0.756 . . . . 0.0 111.039 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.419 ' N ' ' HB2' ' A' ' 43' ' ' ASP . 2.9 m-20 -50.84 -179.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.204 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.56 -47.53 72.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 109.943 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -89.52 20.55 3.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 110.24 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.419 ' HB2' ' N ' ' A' ' 40' ' ' ASP . 0.4 OUTLIER -110.6 -20.94 12.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.568 1.168 . . . . 0.0 109.246 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -40.03 153.47 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.564 1.165 . . . . 0.0 109.292 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 22.0 p -110.93 179.33 4.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.439 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.567 ' CH2' ' HB3' ' A' ' 21' ' ' ASP . 65.0 m95 -118.2 116.99 27.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 108.011 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.424 ' OE1' ' CZ2' ' A' ' 36' ' ' TRP . 5.8 mt-10 -114.13 134.1 22.26 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 110.24 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.505 ' HG2' ' CG ' ' A' ' 51' ' ' HIS . 18.4 Cg_endo -74.98 143.67 29.41 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.542 1.811 . . . . 0.0 111.042 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.451 ' HG2' HD13 ' A' ' 59' ' ' ILE . 0.1 OUTLIER -45.6 -49.58 13.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 110.29 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -50.69 -25.81 4.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 110.32 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.505 ' CG ' ' HG2' ' A' ' 48' ' ' PRO . 0.7 OUTLIER -89.99 -31.05 17.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.551 1.157 . . . . 0.0 109.622 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.786 HD22 HG21 ' A' ' 16' ' ' VAL . 57.2 mt -81.92 54.71 2.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.348 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.1 m -69.17 145.74 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.332 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 57.53 19.07 5.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 84.9 m -123.91 10.44 8.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 108.316 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -53.64 -35.97 61.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -45.53 -67.36 0.29 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.326 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -47.04 -59.37 3.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 110.994 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.572 HG23 ' CE1' ' A' ' 32' ' ' TYR . 16.8 mt -45.97 -47.67 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -57.53 -46.44 83.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.38 1.05 . . . . 0.0 109.593 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -61.6 -51.92 66.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.567 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 7.3 t80 -54.3 -39.79 67.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.429 1.081 . . . . 0.0 110.934 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.33 -51.99 67.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.338 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.0 mmt85 -55.84 -55.4 32.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 0.0 110.239 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.1 mmm180 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 -179.953 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.902 HG22 HG21 ' A' ' 34' ' ' VAL . 4.4 t -50.87 121.02 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -76.93 -49.39 15.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.441 ' O ' ' HA ' ' A' ' 34' ' ' VAL . 14.3 ptp180 178.35 164.45 0.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.255 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.571 ' HB ' ' CD1' ' A' ' 62' ' ' PHE . 4.9 mm -92.33 127.79 44.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.125 . . . . 0.0 109.247 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.622 ' HB ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -104.57 -18.21 6.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.452 ' N ' ' HB3' ' A' ' 33' ' ' LEU . 25.0 t0 -169.92 177.17 4.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.431 1.082 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.582 ' HG3' ' CE1' ' A' ' 32' ' ' TYR . 0.3 OUTLIER -163.78 137.69 5.68 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.435 1.084 . . . . 0.0 109.29 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.409 ' N ' ' HG2' ' A' ' 22' ' ' LYS . 7.8 mtt180 -158.84 -179.51 8.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.312 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.2 ttmt -119.03 158.8 25.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.575 1.172 . . . . 0.0 109.355 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.1 m-20 -95.62 179.18 5.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.261 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -36.06 79.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.604 1.19 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.31 -34.55 76.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 115.31 13.87 8.69 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.8 mmmt -78.31 134.74 37.45 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.472 0.748 . . . . 0.0 109.281 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.522 HG22 ' CE2' ' A' ' 32' ' ' TYR . 5.8 m -78.96 129.34 34.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 110.38 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.1 mp0 -126.3 140.01 52.86 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.435 1.084 . . . . 0.0 110.32 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.72 ' CE1' HG23 ' A' ' 59' ' ' ILE . 72.9 m-85 -124.08 127.43 47.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.622 HD23 ' HB ' ' A' ' 20' ' ' VAL . 17.4 tp -73.14 109.11 6.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.343 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.902 HG21 HG22 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -121.35 144.36 30.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.145 . . . . 0.0 109.334 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.575 ' O ' ' CD2' ' A' ' 36' ' ' TRP . 0.0 OUTLIER -85.21 176.74 8.17 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 0.0 110.258 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.623 ' CE2' HG22 ' A' ' 34' ' ' VAL . 3.9 m95 -162.09 156.82 22.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 108.048 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -94.15 142.52 27.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.164 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 110.69 -56.16 0.47 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.451 1.095 . . . . 0.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.619 ' CE2' ' O ' ' A' ' 40' ' ' ASP . 0.5 OUTLIER -86.49 172.48 10.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.405 0.709 . . . . 0.0 110.996 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.619 ' O ' ' CE2' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -105.52 134.11 49.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.403 1.064 . . . . 0.0 109.272 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 40' ' ' ASP . 11.0 t -38.62 -31.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.375 1.047 . . . . 0.0 110.011 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 40' ' ' ASP . 9.2 mt-10 -49.87 -30.18 9.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.271 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.83 42.38 1.42 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.566 1.166 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.506 ' HB2' HD11 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -46.65 171.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.215 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.454 ' OG1' ' NE1' ' A' ' 36' ' ' TRP . 6.7 p -141.75 132.55 25.77 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.514 1.134 . . . . 0.0 110.35 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 89.9 m95 -97.23 88.27 4.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.566 1.166 . . . . 0.0 108.036 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -85.58 135.27 38.55 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 110.283 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.488 ' HG2' ' CG ' ' A' ' 51' ' ' HIS . 18.2 Cg_endo -75.0 138.51 23.12 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.464 1.77 . . . . 0.0 110.945 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.416 ' HG3' ' CE2' ' A' ' 32' ' ' TYR . 0.3 OUTLIER -39.63 -47.02 1.91 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -49.13 -45.52 43.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.263 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.488 ' CG ' ' HG2' ' A' ' 48' ' ' PRO . 25.9 m170 -72.94 -22.87 60.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 109.579 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.492 HD22 HG21 ' A' ' 16' ' ' VAL . 21.0 mt -91.85 70.38 5.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.481 HG12 ' CG ' ' A' ' 54' ' ' ASN . 84.5 t -80.13 143.05 13.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.481 ' CG ' HG12 ' A' ' 53' ' ' VAL . 5.1 m120 62.79 14.86 7.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.402 ' O ' ' C ' ' A' ' 56' ' ' GLU . 6.7 t -95.42 -14.43 23.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 108.234 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 55' ' ' CYS . 0.9 OUTLIER -37.7 -46.97 0.94 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -45.83 -54.32 8.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.33 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -63.76 -57.65 9.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 0.0 110.975 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.72 HG23 ' CE1' ' A' ' 32' ' ' TYR . 9.3 mt -48.26 -46.45 13.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.427 1.08 . . . . 0.0 109.294 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 9.2 m80 -51.48 -62.88 1.35 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.565 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -51.99 -46.29 64.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.571 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 18.9 t80 -58.85 -39.47 81.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.569 1.168 . . . . 0.0 110.959 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -61.23 -40.34 93.65 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -56.93 -54.1 50.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.25 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.0 mmm180 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.312 -179.972 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.9 p -109.41 114.4 28.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 0.75 . . . . 0.0 110.026 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.9 p -113.73 103.56 11.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 110.012 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.89 75.37 0.02 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.465 1.103 . . . . 0.0 111.082 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.2 p -110.92 129.94 55.73 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.461 0.742 . . . . 0.0 110.038 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -66.16 149.33 50.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.138 . . . . 0.0 109.922 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.73 112.14 0.51 Allowed Glycine 0 CA--C 1.532 1.101 0 O-C-N 124.509 1.131 . . . . 0.0 110.974 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 48.04 86.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.573 0.807 . . . . 0.0 110.982 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -119.9 -67.91 0.95 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 49.72 90.19 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.159 . . . . 0.0 109.98 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 44.54 93.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 110.307 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -105.24 158.09 16.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 110.333 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.565 ' O ' ' CD1' ' A' ' 14' ' ' TYR . 0.1 OUTLIER -53.58 -73.41 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.553 1.158 . . . . 0.0 109.257 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.565 ' CD1' ' O ' ' A' ' 13' ' ' LEU . 5.0 m-85 -159.88 133.46 7.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.979 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.95 131.34 43.85 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.113 . . . . 0.0 110.287 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.559 HG22 ' CH2' ' A' ' 36' ' ' TRP . 6.0 t -56.48 120.7 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.401 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 9.1 tt0 -80.43 -51.4 8.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.272 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.405 ' O ' ' HA ' ' A' ' 34' ' ' VAL . 10.0 ptm180 177.4 168.39 0.62 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.575 ' HB ' ' CD1' ' A' ' 62' ' ' PHE . 3.8 mm -97.55 132.61 41.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.137 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.708 ' HB ' HD23 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -112.71 -15.03 10.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -168.26 169.99 10.41 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.458 1.099 . . . . 0.0 109.296 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.581 ' HG3' ' CD1' ' A' ' 32' ' ' TYR . 0.6 OUTLIER -161.6 137.51 7.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.297 -179.932 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.412 ' N ' ' HG2' ' A' ' 22' ' ' LYS . 1.6 ttt180 -159.47 174.62 14.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.288 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 4.3 ttpt -105.15 149.99 25.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.41 1.069 . . . . 0.0 109.318 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.405 ' O ' ' N ' ' A' ' 28' ' ' GLY . 5.1 m-20 -85.73 156.54 20.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.51 -21.14 5.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.273 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -79.71 -31.17 41.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.547 1.155 . . . . 0.0 109.327 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 25' ' ' ASN . . . 114.44 21.9 5.33 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.472 1.107 . . . . 0.0 110.992 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 24' ' ' LYS . 52.3 mmtt -100.44 139.99 35.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 0.778 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.465 HG22 ' CE2' ' A' ' 32' ' ' TYR . 3.8 m -81.56 124.87 29.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 110.389 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -122.38 132.77 54.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.342 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.656 ' CE1' HG23 ' A' ' 59' ' ' ILE . 71.2 m-85 -113.39 129.56 56.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 111.016 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.708 HD23 ' HB ' ' A' ' 20' ' ' VAL . 7.0 tp -75.83 109.62 9.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.627 HG22 ' CE2' ' A' ' 36' ' ' TRP . 0.2 OUTLIER -124.81 144.48 34.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.55 ' O ' ' CG ' ' A' ' 36' ' ' TRP . 0.2 OUTLIER -88.17 172.87 9.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.219 -179.916 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.627 ' CE2' HG22 ' A' ' 34' ' ' VAL . 2.2 m95 -162.04 159.26 26.1 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.4 mttm -61.91 140.96 58.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.59 -38.87 3.16 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.499 1.124 . . . . 0.0 111.045 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -82.11 112.78 19.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 0.762 . . . . 0.0 111.055 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.419 ' N ' ' HB2' ' A' ' 43' ' ' ASP . 83.2 m-20 -61.04 179.87 0.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.297 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.6 p -61.21 -41.59 97.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.047 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -88.22 10.46 19.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.232 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.419 ' HB2' ' N ' ' A' ' 40' ' ' ASP . 0.8 OUTLIER -108.77 -14.62 14.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.413 ' OD1' ' N ' ' A' ' 44' ' ' ASP . 0.9 OUTLIER -40.35 148.11 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 109.248 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 30.1 p -113.86 178.66 4.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.425 1.078 . . . . 0.0 110.39 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.43 ' NE1' HD13 ' A' ' 33' ' ' LEU . 62.4 m95 -118.19 120.21 37.01 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -118.48 137.71 25.03 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.279 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.464 ' HA ' ' O ' ' A' ' 30' ' ' THR . 18.2 Cg_endo -75.01 136.26 20.14 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.49 1.784 . . . . 0.0 111.032 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -40.08 -30.6 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 110.315 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.524 ' O ' HG23 ' A' ' 53' ' ' VAL . 7.4 tt0 -60.37 -48.75 80.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 110.365 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.436 ' N ' ' O ' ' A' ' 48' ' ' PRO . 0.3 OUTLIER -68.6 -25.16 64.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.617 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.485 HD21 HG11 ' A' ' 34' ' ' VAL . 19.8 mt -85.53 71.87 10.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 50' ' ' GLN . 72.2 t -90.37 132.27 35.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 70.49 21.94 5.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.586 1.179 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 82.5 m -115.15 0.12 13.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 108.269 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -39.58 -47.4 1.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.234 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -42.17 -68.38 0.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.285 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -45.3 -61.83 1.5 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 111.004 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.656 HG23 ' CE1' ' A' ' 32' ' ' TYR . 23.6 mt -47.44 -53.94 3.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.428 1.08 . . . . 0.0 109.341 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 14.1 m80 -47.44 -57.25 5.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.654 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -54.45 -49.51 69.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.592 1.183 . . . . 0.0 109.293 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.575 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 12.2 t80 -57.88 -40.13 79.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.96 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -63.29 -46.04 88.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.34 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.75 -48.25 63.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.281 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.3 mmm180 -51.73 -58.42 6.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.575 1.172 . . . . 0.0 110.344 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -55.47 -62.06 1.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.571 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 26.0 m -39.28 145.96 0.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.363 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -115.01 117.31 30.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.365 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt 55.67 103.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -160.26 -57.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.563 1.165 . . . . 0.0 110.251 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.57 141.26 29.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.269 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -89.92 145.07 25.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 110.256 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.3 t -88.9 148.4 23.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.035 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -135.7 157.91 23.52 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.438 1.086 . . . . 0.0 110.973 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -179.31 4.87 Favored 'Trans proline' 0 C--N 1.361 1.233 0 O-C-N 124.446 1.761 . . . . 0.0 110.977 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.47 110.54 22.61 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.472 1.108 . . . . 0.0 109.957 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.87 -60.52 2.28 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.113 . . . . 0.0 110.012 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.455 1.097 . . . . 0.0 110.989 -179.997 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 t -101.39 155.15 18.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 0.774 . . . . 0.0 110.037 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -169.29 -58.6 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.482 1.114 . . . . 0.0 109.991 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -38.21 122.1 1.14 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.455 1.097 . . . . 0.0 110.994 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.1 p -168.05 165.34 13.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 0.0 110.031 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.8 p -172.74 146.69 1.66 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 110.014 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.44 -163.11 32.44 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.504 1.128 . . . . 0.0 111.008 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.8 ttt -119.68 110.54 16.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 0.76 . . . . 0.0 111.077 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -150.48 166.99 28.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.292 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.7 t -108.78 96.2 6.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.948 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 70.2 141.48 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 110.259 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -120.22 161.33 21.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.338 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.596 ' O ' ' CD1' ' A' ' 14' ' ' TYR . 0.1 OUTLIER -54.27 -66.74 0.34 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.22 -179.937 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.596 ' CD1' ' O ' ' A' ' 13' ' ' LEU . 11.0 m-85 -160.86 135.35 7.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 111.028 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.89 124.5 31.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 110.299 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.455 HG22 HG21 ' A' ' 34' ' ' VAL . 6.4 t -51.54 119.97 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.223 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.415 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 18.8 tt0 -80.41 -52.13 8.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.266 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.415 ' HB3' ' O ' ' A' ' 17' ' ' GLU . 8.7 ptp180 177.24 167.12 0.59 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.458 1.099 . . . . 0.0 110.327 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.573 ' HB ' ' CD1' ' A' ' 62' ' ' PHE . 4.1 mm -95.54 131.89 41.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.719 ' HB ' HD23 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -111.67 -18.34 7.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.271 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.43 ' HB3' ' CH2' ' A' ' 46' ' ' TRP . 12.5 t0 -165.6 170.08 14.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.583 ' HG3' ' CD1' ' A' ' 32' ' ' TYR . 1.0 OUTLIER -158.57 139.21 12.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.431 ' N ' ' HG2' ' A' ' 22' ' ' LYS . 15.4 mtt85 -162.23 174.77 12.42 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.453 1.096 . . . . 0.0 110.339 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.9 ttpt -104.57 152.0 22.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 29' ' ' LYS . 1.5 m-20 -84.38 171.67 12.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -34.81 78.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.241 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.13 -30.71 67.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 114.41 29.61 2.67 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.486 1.117 . . . . 0.0 110.965 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 25' ' ' ASN . 0.1 OUTLIER -101.8 137.5 40.02 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.471 0.747 . . . . 0.0 109.309 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 17.5 m -80.18 122.19 26.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.429 1.081 . . . . 0.0 110.423 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -121.76 143.39 49.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.756 ' CE1' HG23 ' A' ' 59' ' ' ILE . 69.8 m-85 -120.8 129.14 53.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 111.005 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.719 HD23 ' HB ' ' A' ' 20' ' ' VAL . 7.2 tp -74.0 110.13 8.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.562 1.164 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.632 HG22 ' CE2' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -123.6 145.22 30.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 O-C-N 124.432 1.083 . . . . 0.0 109.318 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.545 ' C ' ' CG ' ' A' ' 36' ' ' TRP . 0.0 OUTLIER -88.67 175.43 7.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.423 1.077 . . . . 0.0 110.341 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.632 ' CE2' HG22 ' A' ' 34' ' ' VAL . 2.0 m95 -162.44 164.34 27.18 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.4 pttt -72.82 131.37 42.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.566 1.166 . . . . 0.0 109.357 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.77 -51.45 0.91 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.482 1.114 . . . . 0.0 110.95 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -64.5 112.91 3.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 0.747 . . . . 0.0 110.973 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.415 ' N ' ' HB2' ' A' ' 43' ' ' ASP . 0.4 OUTLIER -53.29 -176.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 t -66.97 -35.96 81.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 110.03 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -97.93 20.7 11.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.415 ' HB2' ' N ' ' A' ' 40' ' ' ASP . 0.4 OUTLIER -115.24 -8.59 12.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.907 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -41.09 157.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.232 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.442 ' OG1' ' NE1' ' A' ' 36' ' ' TRP . 63.8 p -122.57 162.83 21.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.423 1.077 . . . . 0.0 110.397 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.458 ' NE1' HD13 ' A' ' 33' ' ' LEU . 65.0 m95 -109.41 111.02 22.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 107.993 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -107.17 136.85 19.46 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.133 . . . . 0.0 110.305 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.44 ' O ' ' N ' ' A' ' 51' ' ' HIS . 18.2 Cg_endo -75.03 135.12 18.6 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.492 1.785 . . . . 0.0 110.978 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -39.94 -30.79 0.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.197 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.494 ' O ' HG23 ' A' ' 53' ' ' VAL . 6.6 tt0 -59.7 -48.76 80.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.44 ' N ' ' O ' ' A' ' 48' ' ' PRO . 0.5 OUTLIER -70.39 -27.07 64.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.585 1.178 . . . . 0.0 109.578 -179.918 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 20.9 mt -83.09 67.88 9.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.257 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 50' ' ' GLN . 79.1 t -84.91 142.11 13.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.323 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 60.13 16.1 5.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 73.7 m -111.05 6.82 21.18 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.553 1.158 . . . . 0.0 108.264 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -46.62 -46.66 19.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.425 1.078 . . . . 0.0 110.288 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -40.94 -68.25 0.19 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 110.255 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -43.59 -61.12 1.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 111.061 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.756 HG23 ' CE1' ' A' ' 32' ' ' TYR . 15.1 mt -49.61 -56.73 2.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -44.75 -59.22 2.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.416 1.073 . . . . 0.0 109.588 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -53.4 -51.41 62.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.351 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.573 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 8.8 t80 -54.9 -39.93 69.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 110.943 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -65.11 -47.45 77.11 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 -57.44 -63.91 1.07 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 110.272 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.2 mmt180 -47.42 -54.75 10.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.325 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 -41.23 -68.47 0.18 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 109.559 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 94.3 m -72.08 165.51 24.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.403 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -115.75 86.64 2.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -133.45 148.64 51.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -72.54 108.87 5.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.46 1.1 . . . . 0.0 110.285 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.29 116.41 19.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -65.86 90.96 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.309 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 32.2 t -178.77 93.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.949 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 143.89 158.41 7.57 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.452 1.095 . . . . 0.0 110.981 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 78.99 2.78 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.498 1.789 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.93 138.87 56.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 110.035 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 64.58 93.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.61 1.194 . . . . 0.0 109.99 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.082 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 -179.988 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.8 m -115.85 151.48 35.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 0.751 . . . . 0.0 110.004 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.3 p -145.15 141.07 28.42 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.594 1.184 . . . . 0.0 109.991 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.49 71.71 0.46 Allowed Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.484 1.115 . . . . 0.0 111.068 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.78 80.28 1.86 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.435 0.727 . . . . 0.0 110.016 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.9 p -105.79 129.3 54.01 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.501 1.126 . . . . 0.0 109.935 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.62 -172.61 20.61 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.454 1.096 . . . . 0.0 110.959 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.3 mpp? 49.4 91.66 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.47 0.747 . . . . 0.0 111.005 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -173.64 154.0 2.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.346 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 45.3 t -151.05 -55.18 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.983 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -152.11 28.16 0.59 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -81.87 176.34 9.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 110.295 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -76.93 -78.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -133.14 -165.76 1.66 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -127.75 140.72 51.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.193 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.708 HG22 HG21 ' A' ' 34' ' ' VAL . 2.8 t -69.62 114.99 7.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.269 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.443 ' OE2' ' NH2' ' A' ' 18' ' ' ARG . 10.7 tt0 -68.33 -53.52 23.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.443 ' NH2' ' OE2' ' A' ' 17' ' ' GLU . 9.1 ptp85 177.33 167.22 0.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.567 1.167 . . . . 0.0 110.265 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.571 ' HB ' ' CD1' ' A' ' 62' ' ' PHE . 3.7 mm -96.05 132.44 40.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 0.0 109.356 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.715 ' HB ' HD23 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -112.32 -17.52 8.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -165.15 169.42 16.12 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.459 1.099 . . . . 0.0 109.279 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.568 ' HG3' ' CE1' ' A' ' 32' ' ' TYR . 0.6 OUTLIER -166.98 134.68 2.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.08 174.08 16.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 110.303 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.17 151.41 21.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.108 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.412 ' N ' ' O ' ' A' ' 29' ' ' LYS . 27.2 m-20 -92.07 171.41 9.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.419 ' HG3' ' N ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -59.25 -32.6 70.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.245 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.419 ' N ' ' HG3' ' A' ' 26' ' ' LYS . 7.7 mttp -75.18 -16.38 60.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 109.342 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.32 12.77 40.91 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.477 1.111 . . . . 0.0 111.034 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.412 ' O ' ' N ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -82.61 139.88 33.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 0.801 . . . . 0.0 109.26 -179.918 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.451 ' O ' ' HA ' ' A' ' 48' ' ' PRO . 16.2 m -88.63 122.53 32.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 110.371 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -117.72 137.93 52.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.373 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.579 ' CE1' HG23 ' A' ' 59' ' ' ILE . 45.0 m-85 -116.9 126.23 52.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.715 HD23 ' HB ' ' A' ' 20' ' ' VAL . 7.7 tp -74.48 109.35 7.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.208 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.708 HG21 HG22 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -124.02 143.18 38.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.425 1.078 . . . . 0.0 109.312 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.549 ' O ' ' CG ' ' A' ' 36' ' ' TRP . 20.2 mmm-85 -86.91 175.7 8.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.333 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.631 ' CE2' HG22 ' A' ' 34' ' ' VAL . 2.5 m95 -162.4 155.37 19.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 108.032 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.4 mttm -65.54 141.95 58.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.33 -28.28 8.37 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.428 1.08 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -91.23 131.87 36.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 0.789 . . . . 0.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -70.02 -166.8 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.254 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.13 -43.25 43.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 110.007 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -88.33 14.61 9.15 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.526 1.141 . . . . 0.0 110.314 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.55 -13.28 14.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.09 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.406 ' N ' ' OD1' ' A' ' 44' ' ' ASP . 0.3 OUTLIER -40.68 152.19 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.448 ' OG1' ' NE1' ' A' ' 36' ' ' TRP . 82.5 p -115.46 169.81 8.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.442 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.537 ' NE1' HD13 ' A' ' 33' ' ' LEU . 49.2 m95 -113.31 121.97 46.01 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -118.3 134.89 23.37 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.279 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.451 ' HA ' ' O ' ' A' ' 30' ' ' THR . 18.2 Cg_endo -75.08 136.27 20.01 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.535 1.808 . . . . 0.0 110.987 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.421 ' HG2' HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -41.61 -36.53 0.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.325 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.575 ' O ' HG23 ' A' ' 53' ' ' VAL . 0.5 OUTLIER -57.76 -44.63 86.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.297 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.442 ' N ' ' O ' ' A' ' 48' ' ' PRO . 0.4 OUTLIER -72.88 -30.58 64.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.6 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.634 ' CD2' HG21 ' A' ' 16' ' ' VAL . 20.0 mt -79.48 71.85 6.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.272 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 50' ' ' GLN . 54.2 t -94.47 141.53 14.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 66.72 10.91 7.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 19.8 m -120.82 19.91 11.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 108.321 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -59.55 -31.49 69.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.257 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -49.1 -65.45 0.56 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.286 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -48.52 -56.4 8.43 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.517 1.136 . . . . 0.0 111.037 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.579 HG23 ' CE1' ' A' ' 32' ' ' TYR . 52.3 mt -51.33 -51.72 22.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.44 1.087 . . . . 0.0 109.385 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -51.0 -53.83 29.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.566 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -56.05 -54.87 39.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.571 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 5.5 t80 -53.53 -45.48 69.82 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -57.31 -49.81 74.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.355 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.4 mmt180 -55.82 -54.91 38.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.303 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.5 mmm180 -53.73 -54.06 43.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 110.243 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -55.52 -66.55 0.4 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.592 1.182 . . . . 0.0 109.577 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 96.9 m -55.24 154.89 5.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 110.381 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -81.47 122.61 27.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.346 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.3 mmtt -158.27 147.04 19.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -95.76 82.35 3.57 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.476 1.11 . . . . 0.0 110.243 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.36 130.22 50.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.259 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -137.93 121.87 17.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 110.273 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.8 t -113.2 -62.03 1.65 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.005 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 141.17 157.79 7.3 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.559 1.162 . . . . 0.0 111.006 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 163.49 35.12 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.493 1.786 . . . . 0.0 110.974 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.51 119.9 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.42 1.075 . . . . 0.0 110.012 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 87.3 p -141.17 166.81 23.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.022 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.535 1.147 . . . . 0.0 111.044 179.944 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.22 -67.78 0.65 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 0.76 . . . . 0.0 110.0 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.2 p -170.33 169.84 7.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.025 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.43 165.0 0.09 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.498 1.124 . . . . 0.0 110.98 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.0 p -149.95 -58.09 0.19 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.49 0.759 . . . . 0.0 110.062 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.53 170.39 18.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.022 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.8 -144.22 16.78 Favored Glycine 0 CA--C 1.528 0.896 0 O-C-N 124.526 1.141 . . . . 0.0 110.964 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER 58.36 165.14 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.389 0.699 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 62.46 137.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.72 -75.7 0.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.967 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -150.84 127.36 10.77 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.546 1.154 . . . . 0.0 110.342 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -122.64 175.52 6.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.33 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.455 ' O ' ' CD1' ' A' ' 14' ' ' TYR . 0.1 OUTLIER -68.07 -52.3 36.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.257 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.455 ' CD1' ' O ' ' A' ' 13' ' ' LEU . 4.9 m-85 -152.13 -167.14 2.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.955 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -109.15 128.01 54.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.288 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.666 HG22 HG21 ' A' ' 34' ' ' VAL . 4.9 t -66.23 119.59 11.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.41 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 13.6 tt0 -75.84 -51.68 12.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 110.316 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.423 ' CZ ' ' HB3' ' A' ' 18' ' ' ARG . 3.7 ptp180 177.61 166.41 0.65 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 110.303 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.574 ' HB ' ' CD2' ' A' ' 62' ' ' PHE . 4.2 mm -95.46 132.24 40.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.286 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.732 ' HB ' HD23 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -112.37 -15.61 9.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.338 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -167.67 171.83 9.82 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.546 1.154 . . . . 0.0 109.352 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.572 ' HG3' ' CD1' ' A' ' 32' ' ' TYR . 0.8 OUTLIER -167.14 135.67 2.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.251 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.7 -179.68 6.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.263 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.8 ttpt -112.94 162.18 16.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.345 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -111.72 177.91 4.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.271 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.47 -28.05 58.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.0 mtmt -66.67 -40.95 88.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 107.23 17.53 11.42 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.538 1.149 . . . . 0.0 111.004 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.8 mmtp -95.82 139.07 32.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 0.798 . . . . 0.0 109.272 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.416 ' O ' ' HA ' ' A' ' 48' ' ' PRO . 19.0 m -74.77 126.13 30.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.407 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -120.91 142.99 49.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.348 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.663 ' CE1' HG23 ' A' ' 59' ' ' ILE . 51.4 m-85 -125.6 126.26 44.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.936 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.732 HD23 ' HB ' ' A' ' 20' ' ' VAL . 8.1 tp -74.45 110.36 8.68 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.496 1.122 . . . . 0.0 109.222 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.666 HG21 HG22 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -124.44 142.79 40.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 109.268 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.55 ' O ' ' CG ' ' A' ' 36' ' ' TRP . 9.9 mtt180 -85.25 175.63 8.82 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.441 1.088 . . . . 0.0 110.3 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.616 ' CE2' HG22 ' A' ' 34' ' ' VAL . 3.4 m95 -162.18 147.89 13.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.095 . . . . 0.0 108.049 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.5 pttt -68.74 154.22 42.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 109.298 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.84 -40.94 3.06 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.555 1.16 . . . . 0.0 111.014 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -82.22 149.77 27.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 0.748 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -75.08 -177.3 3.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.582 1.176 . . . . 0.0 109.337 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 85.1 p -70.79 -35.57 72.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 110.024 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -92.9 17.72 10.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.325 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -109.15 -12.49 14.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.23 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -40.27 144.5 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.589 1.181 . . . . 0.0 109.338 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 60.8 p -114.82 161.22 18.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 110.454 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.56 ' NE1' HD13 ' A' ' 33' ' ' LEU . 47.1 m95 -104.02 117.62 34.73 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -111.58 136.37 21.06 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.334 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.487 ' HG2' ' CG ' ' A' ' 51' ' ' HIS . 18.1 Cg_endo -75.11 136.57 20.35 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.518 1.799 . . . . 0.0 110.941 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.477 ' HG2' HD13 ' A' ' 59' ' ' ILE . 0.3 OUTLIER -40.79 -39.98 1.23 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.454 1.096 . . . . 0.0 110.325 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.668 ' O ' HG23 ' A' ' 53' ' ' VAL . 5.1 tt0 -55.14 -45.57 75.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.35 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.487 ' CG ' ' HG2' ' A' ' 48' ' ' PRO . 0.6 OUTLIER -69.8 -34.88 74.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 0.0 109.636 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.547 ' CD2' HG21 ' A' ' 16' ' ' VAL . 18.0 mt -75.5 69.91 2.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.426 1.079 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 50' ' ' GLN . 83.3 t -95.08 137.9 22.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.38 1.05 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.504 ' CG ' HG12 ' A' ' 53' ' ' VAL . 3.4 m-80 71.95 6.3 5.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 42.9 m -122.16 13.77 10.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.426 1.079 . . . . 0.0 108.38 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.07 -26.15 59.9 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.441 1.088 . . . . 0.0 110.313 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -48.67 -67.36 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.391 1.057 . . . . 0.0 110.229 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -46.93 -54.31 10.33 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.663 HG23 ' CE1' ' A' ' 32' ' ' TYR . 65.3 mt -49.36 -57.25 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.413 1.071 . . . . 0.0 109.256 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -47.09 -51.98 16.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.612 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -59.39 -51.27 70.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.236 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.574 ' CD2' ' HB ' ' A' ' 19' ' ' ILE . 5.2 t80 -54.45 -42.48 70.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.13 . . . . 0.0 110.952 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -62.08 -50.69 70.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 109.276 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.8 mmt180 -57.68 -52.93 63.4 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.556 1.16 . . . . 0.0 110.339 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 -55.32 -50.1 70.47 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.455 1.097 . . . . 0.0 110.296 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -51.19 -69.91 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.652 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 16.2 p -72.02 178.37 3.81 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.589 1.181 . . . . 0.0 110.52 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -74.24 173.15 10.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 110.245 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.46 174.58 7.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.336 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.7 tm0? -151.04 142.35 23.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.415 1.072 . . . . 0.0 110.336 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.48 157.83 31.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 56.93 163.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.263 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 20.0 m -138.58 -57.57 0.63 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.985 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -117.1 114.06 2.89 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.533 1.146 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -35.03 3.37 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.467 1.772 . . . . 0.0 110.98 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 63.9 m -44.65 -55.63 5.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 110.018 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.87 -56.9 11.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.565 1.165 . . . . 0.0 110.017 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 O-C-N 124.526 1.141 . . . . 0.0 111.014 -179.995 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.3 m 57.99 164.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 0.787 . . . . 0.0 110.048 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t -170.76 -57.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 0.0 109.994 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.46 127.05 0.01 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.95 96.51 0.16 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 0.762 . . . . 0.0 109.954 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -169.78 157.65 7.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 110.006 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.19 103.28 0.33 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.467 1.104 . . . . 0.0 110.972 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -166.51 111.98 0.81 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 0.756 . . . . 0.0 110.976 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -163.99 159.86 21.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.422 1.076 . . . . 0.0 109.337 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.0 m -65.16 -48.94 71.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.574 1.171 . . . . 0.0 109.966 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 54.2 tt0 -178.49 133.55 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.266 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -104.72 166.11 10.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 110.293 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.601 ' O ' ' CD1' ' A' ' 14' ' ' TYR . 0.1 OUTLIER -53.93 -62.79 1.43 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.601 ' CD1' ' O ' ' A' ' 13' ' ' LEU . 9.8 m-85 -160.99 134.77 6.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.46 1.1 . . . . 0.0 111.075 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -114.27 138.85 49.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.243 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.571 HG21 HD22 ' A' ' 52' ' ' LEU . 5.2 t -57.8 121.4 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 109.257 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.407 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 9.7 tt0 -80.83 -50.81 9.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.262 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.407 ' HB3' ' O ' ' A' ' 17' ' ' GLU . 2.2 ptm85 177.49 169.3 0.63 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.305 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.578 ' HB ' ' CD1' ' A' ' 62' ' ' PHE . 3.9 mm -96.99 128.53 48.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.682 ' HB ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -107.41 -17.83 7.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.296 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.523 ' HB3' ' CH2' ' A' ' 46' ' ' TRP . 4.0 t0 -166.68 172.45 10.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.562 ' HD2' ' CE1' ' A' ' 32' ' ' TYR . 0.4 OUTLIER -162.27 138.12 7.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.564 ' HG2' ' CZ3' ' A' ' 46' ' ' TRP . 6.9 ptp180 -154.63 172.7 17.44 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 110.328 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.9 ttpt -109.26 150.46 27.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.362 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -86.47 159.05 19.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -53.51 -32.4 50.25 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.418 ' N ' ' HG3' ' A' ' 26' ' ' LYS . 0.6 OUTLIER -70.5 -29.4 65.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.294 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 112.32 22.72 5.74 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.503 1.127 . . . . 0.0 110.96 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.9 mmtt -95.39 140.33 30.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.591 0.818 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.442 ' O ' ' HA ' ' A' ' 48' ' ' PRO . 24.4 m -80.31 135.25 36.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.457 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -132.15 125.43 31.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.421 1.076 . . . . 0.0 110.267 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.63 ' CE1' HG23 ' A' ' 59' ' ' ILE . 46.9 m-85 -110.73 123.72 50.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 110.933 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.682 HD23 ' HB ' ' A' ' 20' ' ' VAL . 4.7 tp -73.47 114.74 12.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.255 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.627 HG22 ' CE2' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -126.66 144.3 37.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.385 1.053 . . . . 0.0 109.33 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.512 ' C ' ' CG ' ' A' ' 36' ' ' TRP . 1.7 mtt180 -88.49 170.78 10.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.6 1.187 . . . . 0.0 110.259 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.627 ' CE2' HG22 ' A' ' 34' ' ' VAL . 1.6 m95 -160.09 166.13 30.44 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -73.81 141.79 46.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.602 1.189 . . . . 0.0 109.303 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.0 -41.43 2.91 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -80.08 113.26 18.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 0.783 . . . . 0.0 111.018 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.79 -171.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.69 -36.89 76.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.582 1.176 . . . . 0.0 110.043 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -92.63 4.13 54.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.276 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.99 -14.4 17.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -44.92 155.31 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.45 ' OG1' ' N ' ' A' ' 46' ' ' TRP . 1.1 t -121.74 174.13 7.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.374 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.58 ' NE1' HD13 ' A' ' 33' ' ' LEU . 42.5 m95 -114.98 133.96 55.59 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -126.74 138.92 33.53 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 110.312 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.502 ' HG2' ' CG ' ' A' ' 51' ' ' HIS . 18.0 Cg_endo -75.06 139.77 24.51 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.466 1.772 . . . . 0.0 110.975 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.483 ' HG2' HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -45.89 -52.92 10.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 110.293 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -51.27 -23.63 3.71 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.487 1.117 . . . . 0.0 110.331 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.502 ' CG ' ' HG2' ' A' ' 48' ' ' PRO . 6.6 m170 -92.51 -25.99 18.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 109.621 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.571 HD22 HG21 ' A' ' 16' ' ' VAL . 63.3 mt -83.82 53.08 2.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.373 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.401 ' H ' HG13 ' A' ' 53' ' ' VAL . 1.0 OUTLIER -69.99 145.23 13.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.152 . . . . 0.0 109.197 -179.923 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 60.78 15.68 6.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 42.1 m -123.92 3.99 8.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 108.332 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.8 -37.23 18.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.241 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -44.97 -68.66 0.18 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 110.27 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -45.23 -55.17 6.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.979 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.63 HG23 ' CE1' ' A' ' 32' ' ' TYR . 37.7 mt -50.89 -56.99 3.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 20.8 m80 -46.31 -52.83 11.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 109.519 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -58.08 -52.58 64.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.339 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.578 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 12.6 t80 -55.5 -38.79 69.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 111.046 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.13 -47.21 80.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.412 1.07 . . . . 0.0 109.298 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.93 -47.34 64.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.337 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.425 ' HB3' ' NH1' ' A' ' 65' ' ' ARG . 0.6 OUTLIER -53.5 -57.25 11.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.312 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 20.5 t-80 -60.28 -63.27 1.36 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.577 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.6 m -48.16 151.81 0.94 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.443 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -86.9 114.42 23.52 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.551 1.157 . . . . 0.0 110.258 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.4 161.87 32.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.427 1.08 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -76.87 135.04 38.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 110.268 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.59 74.28 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -156.9 151.84 26.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.581 1.176 . . . . 0.0 110.273 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.7 p -177.71 153.27 0.85 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 110.04 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -124.16 152.46 17.32 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.494 1.121 . . . . 0.0 110.976 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 125.86 9.6 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.521 1.8 . . . . 0.0 111.001 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 82.5 p -101.9 156.71 17.35 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.416 1.072 . . . . 0.0 110.033 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.1 t -110.42 103.76 12.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.435 1.084 . . . . 0.0 110.073 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.051 0 O-C-N 124.493 1.12 . . . . 0.0 110.915 -179.946 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -128.82 -58.41 1.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 0.774 . . . . 0.0 110.03 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.5 m -150.48 -58.33 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.597 1.186 . . . . 0.0 109.996 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.72 -109.68 2.68 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.489 1.118 . . . . 0.0 111.029 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 74.75 -57.98 0.59 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 0.745 . . . . 0.0 109.997 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.67 127.45 53.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.014 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.36 -81.25 0.4 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.467 1.104 . . . . 0.0 110.975 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 59.3 149.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 0.732 . . . . 0.0 111.022 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 44.12 91.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.352 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.73 117.78 20.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.421 1.076 . . . . 0.0 110.063 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 60.91 128.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 110.289 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -107.66 172.82 6.62 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 110.243 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.591 ' O ' ' CD1' ' A' ' 14' ' ' TYR . 0.1 OUTLIER -68.25 -56.36 8.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.591 ' CD1' ' O ' ' A' ' 13' ' ' LEU . 34.9 m-85 -163.06 138.26 6.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 111.066 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -129.6 140.28 51.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.301 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.653 HG22 HG21 ' A' ' 34' ' ' VAL . 8.6 t -53.84 121.39 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.169 . . . . 0.0 109.306 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.452 ' OE2' ' NH1' ' A' ' 18' ' ' ARG . 11.1 tt0 -76.45 -50.5 13.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 110.257 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.452 ' NH1' ' OE2' ' A' ' 17' ' ' GLU . 9.4 ptp85 177.71 165.22 0.65 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.49 1.119 . . . . 0.0 110.334 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.566 ' HB ' ' CD1' ' A' ' 62' ' ' PHE . 4.0 mm -94.48 129.83 44.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.765 ' HB ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -107.77 -14.04 9.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.462 ' N ' ' HB3' ' A' ' 33' ' ' LEU . 5.7 t70 -174.88 177.02 2.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.147 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.58 ' HG3' ' CD2' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -169.45 132.57 1.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.8 mtp180 -151.12 -179.15 7.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.282 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -104.72 148.28 26.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.252 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 29' ' ' LYS . 1.1 t-20 -81.77 173.28 12.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.75 -33.49 76.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -74.06 -28.13 61.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 114.41 21.8 5.38 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.427 1.08 . . . . 0.0 111.025 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 25' ' ' ASN . 15.3 mmtp -92.77 140.93 29.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 0.755 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 42.4 m -82.78 131.8 35.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.09 . . . . 0.0 110.398 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.3 mp0 -131.51 146.25 52.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.301 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.723 ' CE2' HG23 ' A' ' 59' ' ' ILE . 73.0 m-85 -125.61 131.87 52.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.765 HD23 ' HB ' ' A' ' 20' ' ' VAL . 17.9 tp -75.28 107.81 7.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.346 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.653 HG21 HG22 ' A' ' 16' ' ' VAL . 0.2 OUTLIER -125.14 139.99 49.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.259 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.546 ' O ' ' CG ' ' A' ' 36' ' ' TRP . 3.0 mtm-85 -86.66 175.0 8.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.242 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.638 ' CE2' HG22 ' A' ' 34' ' ' VAL . 2.1 m95 -162.26 160.06 26.38 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.1 mmtt -64.95 156.53 30.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.398 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.98 -51.55 4.1 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.527 1.142 . . . . 0.0 110.976 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -64.64 142.69 58.34 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.567 0.804 . . . . 0.0 110.961 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -71.33 -166.92 0.2 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 109.317 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 t -79.65 -44.74 20.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.996 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -89.63 12.71 16.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.43 1.082 . . . . 0.0 110.274 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -96.87 -12.98 22.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.364 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.47 ' OD2' HD21 ' A' ' 33' ' ' LEU . 12.7 p30 -40.09 142.45 0.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.345 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.688 ' O ' HD12 ' A' ' 33' ' ' LEU . 7.4 p -107.49 -176.01 2.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.113 . . . . 0.0 110.397 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.48 ' CE2' HD13 ' A' ' 33' ' ' LEU . 92.0 m95 -121.28 97.82 5.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.117 . . . . 0.0 108.044 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -95.79 136.79 22.06 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.462 1.101 . . . . 0.0 110.323 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.519 ' HG2' ' CG ' ' A' ' 51' ' ' HIS . 18.0 Cg_endo -75.07 135.72 19.32 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.479 1.778 . . . . 0.0 110.982 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.424 ' HG3' ' CE1' ' A' ' 32' ' ' TYR . 0.3 OUTLIER -38.86 -46.3 1.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -49.68 -46.55 50.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.57 1.169 . . . . 0.0 110.285 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.519 ' CG ' ' HG2' ' A' ' 48' ' ' PRO . 28.9 m170 -71.28 -24.28 62.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.085 . . . . 0.0 109.623 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.582 HD21 HG11 ' A' ' 34' ' ' VAL . 18.5 mt -89.5 67.99 7.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.509 HG12 ' CG ' ' A' ' 54' ' ' ASN . 82.9 t -78.03 141.67 15.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.509 ' CG ' HG12 ' A' ' 53' ' ' VAL . 4.1 m120 61.88 23.36 13.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.112 . . . . 0.0 109.252 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.416 ' O ' ' C ' ' A' ' 56' ' ' GLU . 8.0 t -104.74 -13.85 15.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 108.223 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 55' ' ' CYS . 3.0 mt-10 -37.18 -43.54 0.51 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 110.272 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -48.41 -60.18 2.88 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.503 1.127 . . . . 0.0 110.334 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -58.57 -55.55 33.63 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.457 1.098 . . . . 0.0 111.051 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.723 HG23 ' CE2' ' A' ' 32' ' ' TYR . 11.7 mt -49.88 -54.31 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 9.7 m80 -45.24 -57.93 3.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 109.591 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -54.98 -49.18 72.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.566 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 14.1 t80 -57.52 -38.05 74.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.49 -41.86 98.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 109.258 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.93 -51.46 69.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.231 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.9 mmm-85 -50.69 -57.77 7.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.32 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -53.07 -64.3 0.86 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.155 . . . . 0.0 109.612 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 66.4 p -61.23 177.18 0.38 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.583 1.177 . . . . 0.0 110.407 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -120.77 166.64 13.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.081 . . . . 0.0 110.278 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -138.75 78.68 1.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.426 1.079 . . . . 0.0 109.295 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 8.8 mp0 64.3 -77.58 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.125 . . . . 0.0 110.285 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -127.67 118.43 23.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -158.55 77.22 0.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.286 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 93.2 p -142.9 166.94 23.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 109.994 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 160.69 157.37 8.67 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.51 1.131 . . . . 0.0 111.064 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 129.24 12.14 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.437 1.756 . . . . 0.0 111.014 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.56 91.38 0.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.017 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 36.2 t -92.96 107.7 19.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.02 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.493 1.121 . . . . 0.0 110.996 179.968 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.075 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.15 103.64 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 0.794 . . . . 0.0 110.001 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.4 p -164.59 -58.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.048 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.63 118.19 0.05 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -122.54 84.2 2.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 0.802 . . . . 0.0 109.99 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m -104.48 165.02 11.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.991 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.01 -155.3 20.65 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.469 1.106 . . . . 0.0 111.075 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.5 tmm? -144.6 118.99 9.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 0.789 . . . . 0.0 110.973 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -157.04 84.75 0.94 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 72.9 m 63.76 163.82 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.979 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -101.58 98.41 8.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 110.295 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.85 155.71 37.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.275 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.596 ' O ' ' CD1' ' A' ' 14' ' ' TYR . 0.1 OUTLIER -53.43 -67.45 0.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.334 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.596 ' CD1' ' O ' ' A' ' 13' ' ' LEU . 6.0 m-85 -159.72 133.32 7.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.403 1.064 . . . . 0.0 111.029 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -85.35 124.79 32.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 110.288 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.477 HG22 HG21 ' A' ' 34' ' ' VAL . 5.5 t -54.8 120.15 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 109.287 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.417 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 17.0 tt0 -80.18 -51.95 8.35 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.456 1.098 . . . . 0.0 110.254 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.417 ' HB3' ' O ' ' A' ' 17' ' ' GLU . 15.6 ptp180 177.15 164.66 0.53 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 110.348 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.586 HD12 ' HB3' ' A' ' 32' ' ' TYR . 4.4 mm -92.75 132.66 36.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.422 1.076 . . . . 0.0 109.349 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.694 ' HB ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -112.62 -14.3 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.476 ' HB3' ' CH2' ' A' ' 46' ' ' TRP . 17.1 t0 -169.98 169.06 8.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.565 ' HG3' ' CD1' ' A' ' 32' ' ' TYR . 0.6 OUTLIER -160.41 130.37 5.23 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.504 1.127 . . . . 0.0 109.247 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.561 ' HG2' ' CZ3' ' A' ' 46' ' ' TRP . 6.0 ptt180 -153.11 -179.05 7.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 0.7 OUTLIER -116.91 155.61 28.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.237 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -91.9 178.29 5.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.15 -34.06 73.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.42 1.075 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -69.75 -32.56 71.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.331 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 110.7 15.45 11.06 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 24' ' ' LYS . 9.3 mmmt -80.9 136.35 36.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 0.785 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.455 ' O ' ' HA ' ' A' ' 48' ' ' PRO . 54.4 m -78.63 128.96 34.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 110.371 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -129.64 137.69 50.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 110.34 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.706 ' CE1' HG23 ' A' ' 59' ' ' ILE . 60.6 m-85 -117.88 124.17 47.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 110.922 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.694 HD23 ' HB ' ' A' ' 20' ' ' VAL . 6.2 tp -71.94 111.35 7.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.254 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.632 HG22 ' CE2' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -120.99 151.57 24.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.358 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.559 ' C ' ' CG ' ' A' ' 36' ' ' TRP . 0.3 OUTLIER -95.52 176.38 6.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.262 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.879 ' HE1' HG22 ' A' ' 45' ' ' THR . 1.6 m95 -162.75 175.61 11.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.159 . . . . 0.0 107.933 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -80.03 144.33 33.31 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.41 -42.26 3.13 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.47 1.106 . . . . 0.0 111.004 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -80.44 118.11 21.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 0.767 . . . . 0.0 111.02 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -51.19 178.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.484 ' OG ' ' CZ ' ' A' ' 35' ' ' ARG . 45.6 m -67.37 -29.87 69.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.962 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -95.24 20.08 9.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.258 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 44' ' ' ASP . 0.8 OUTLIER -112.65 -14.39 13.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.271 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.427 ' OD1' ' N ' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -40.21 126.84 2.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.879 HG22 ' HE1' ' A' ' 36' ' ' TRP . 6.9 t -83.67 -175.87 6.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 110.39 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.561 ' CZ3' ' HG2' ' A' ' 23' ' ' ARG . 76.3 m95 -123.41 100.55 6.88 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -102.25 136.7 19.38 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 110.305 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.455 ' HA ' ' O ' ' A' ' 30' ' ' THR . 18.5 Cg_endo -74.95 139.5 24.5 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.436 1.756 . . . . 0.0 111.039 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.4 ' HG2' HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -42.98 -28.18 0.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.423 ' O ' HG23 ' A' ' 53' ' ' VAL . 2.6 tt0 -65.21 -44.12 89.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.251 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.445 ' N ' ' O ' ' A' ' 48' ' ' PRO . 0.6 OUTLIER -73.43 -29.59 62.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 109.59 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.447 ' CD1' ' HB2' ' A' ' 32' ' ' TYR . 25.1 mt -81.51 67.32 7.42 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.472 1.108 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 50' ' ' GLN . 72.8 t -81.99 142.71 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 22.7 m-20 55.89 27.29 10.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 59.5 m -121.66 2.68 10.11 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.451 1.094 . . . . 0.0 108.281 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.44 -38.23 8.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.429 1.08 . . . . 0.0 110.293 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -42.34 -66.34 0.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 110.307 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -52.24 -59.93 3.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.963 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.706 HG23 ' CE1' ' A' ' 32' ' ' TYR . 25.0 mt -45.43 -51.08 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 11.2 m80 -49.89 -59.71 3.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.561 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -53.6 -51.49 62.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.138 . . . . 0.0 109.288 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.573 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 10.5 t80 -55.24 -39.46 69.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 111.065 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -64.02 -36.52 84.25 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.513 1.133 . . . . 0.0 109.254 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.3 mmt85 -70.04 -58.03 4.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.255 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.47 -40.2 62.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 110.302 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -71.85 -64.09 1.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.598 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 64.2 m -55.6 121.87 10.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 110.381 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -80.97 85.44 6.25 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.488 1.118 . . . . 0.0 110.304 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.79 165.26 12.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.225 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 -77.54 146.2 36.48 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.454 1.096 . . . . 0.0 110.286 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 66.09 113.72 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.123 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -164.79 139.69 5.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.277 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 97.2 p -85.31 158.7 20.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.029 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -118.1 -147.49 8.37 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.469 1.106 . . . . 0.0 111.014 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -40.43 0.92 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.563 1.823 . . . . 0.0 110.985 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 39.5 m -49.17 112.27 0.6 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.983 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.41 88.86 0.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.042 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.501 1.125 . . . . 0.0 110.983 -179.993 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.0 p -153.61 138.32 16.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 0.783 . . . . 0.0 109.952 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 43.68 91.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.982 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.55 -168.45 12.25 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.546 1.154 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.7 p -176.53 87.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 0.754 . . . . 0.0 109.958 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.2 t -132.13 130.89 41.74 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.476 1.11 . . . . 0.0 109.964 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.9 76.37 0.12 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.536 1.148 . . . . 0.0 110.997 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.575 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 22.3 mtt -125.24 163.7 21.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 0.788 . . . . 0.0 111.035 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.575 ' HB3' ' O ' ' A' ' 8' ' ' MET . . . 75.41 -62.08 0.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.603 1.189 . . . . 0.0 109.346 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 66.9 m -69.54 137.94 52.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.029 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -139.3 82.53 1.89 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 110.285 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.0 161.08 3.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.29 -53.23 60.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.086 . . . . 0.0 109.342 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -144.25 -166.64 2.42 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.49 1.118 . . . . 0.0 110.99 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -100.54 133.24 45.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.302 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.503 HG22 HG21 ' A' ' 34' ' ' VAL . 7.5 t -64.5 121.98 14.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.412 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 20.1 tt0 -83.28 -51.03 7.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.345 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.412 ' HB3' ' O ' ' A' ' 17' ' ' GLU . 12.2 ptp180 177.52 165.68 0.62 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.57 1.169 . . . . 0.0 110.402 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.572 HD12 ' HB3' ' A' ' 32' ' ' TYR . 4.0 mm -94.95 131.81 40.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.728 ' HB ' HD23 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -111.27 -18.43 7.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.356 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.449 ' HB3' ' CH2' ' A' ' 46' ' ' TRP . 20.0 t0 -164.99 171.88 13.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.572 ' HG3' ' CD1' ' A' ' 32' ' ' TYR . 0.3 OUTLIER -161.49 132.73 5.36 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.438 1.086 . . . . 0.0 109.266 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.93 171.7 17.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.087 . . . . 0.0 110.282 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.1 ttpp -106.81 151.62 24.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.425 ' N ' ' O ' ' A' ' 29' ' ' LYS . 1.9 m-20 -85.31 165.29 17.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.145 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.75 -29.74 68.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.4 -29.21 62.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.544 1.152 . . . . 0.0 109.341 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 113.02 24.67 4.77 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.506 1.129 . . . . 0.0 110.979 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 25' ' ' ASN . 0.1 OUTLIER -98.39 137.22 37.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 0.789 . . . . 0.0 109.343 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.448 ' O ' ' HA ' ' A' ' 48' ' ' PRO . 12.9 m -80.86 131.21 35.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 110.362 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -130.24 130.86 45.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.34 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.765 ' CE1' HG23 ' A' ' 59' ' ' ILE . 68.3 m-85 -111.55 128.01 55.9 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.461 1.1 . . . . 0.0 110.993 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.728 HD23 ' HB ' ' A' ' 20' ' ' VAL . 6.8 tp -73.69 111.04 8.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.503 HG21 HG22 ' A' ' 16' ' ' VAL . 0.2 OUTLIER -126.15 144.59 35.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.153 . . . . 0.0 109.3 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.539 ' O ' ' CG ' ' A' ' 36' ' ' TRP . 0.0 OUTLIER -85.84 174.52 9.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.237 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.539 ' CG ' ' O ' ' A' ' 35' ' ' ARG . 3.6 m95 -161.51 165.0 29.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 107.99 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -75.22 138.3 41.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 0.0 109.278 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.26 -37.44 3.41 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.554 1.159 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -84.06 115.13 22.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 0.774 . . . . 0.0 111.011 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.416 ' N ' ' HB2' ' A' ' 43' ' ' ASP . 1.9 m-20 -53.42 -178.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.9 t -65.72 -41.67 91.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.122 . . . . 0.0 110.069 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -85.26 2.25 44.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 110.25 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.416 ' HB2' ' N ' ' A' ' 40' ' ' ASP . 0.5 OUTLIER -98.57 -8.64 26.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -40.32 144.69 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.368 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.441 ' OG1' ' NE1' ' A' ' 36' ' ' TRP . 72.5 p -110.64 165.78 11.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 110.422 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.491 ' NE1' HD13 ' A' ' 33' ' ' LEU . 64.0 m95 -110.29 116.75 32.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 108.001 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -114.51 135.79 22.31 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.267 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.448 ' HA ' ' O ' ' A' ' 30' ' ' THR . 18.1 Cg_endo -74.97 137.48 21.83 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.515 1.797 . . . . 0.0 111.012 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.99 -31.53 0.12 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.537 1.148 . . . . 0.0 110.311 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.506 ' O ' HG23 ' A' ' 53' ' ' VAL . 5.1 tt0 -60.01 -49.31 78.16 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.527 1.142 . . . . 0.0 110.334 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.43 ' N ' ' O ' ' A' ' 48' ' ' PRO . 0.3 OUTLIER -69.24 -20.73 63.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.655 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.502 ' CD2' HG21 ' A' ' 16' ' ' VAL . 22.9 mt -90.51 67.49 6.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.409 1.068 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 50' ' ' GLN . 71.3 t -82.55 145.28 8.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 31.5 m-20 52.94 23.82 3.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 109.274 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 85.0 m -116.28 -0.13 12.69 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.49 1.118 . . . . 0.0 108.263 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -41.81 -39.22 1.7 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.327 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -44.16 -68.79 0.17 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.454 1.096 . . . . 0.0 110.321 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -46.36 -61.84 1.62 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 111.01 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.765 HG23 ' CE1' ' A' ' 32' ' ' TYR . 64.1 mt -46.4 -53.12 2.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -47.86 -61.82 1.77 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.535 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -51.16 -48.89 61.76 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.451 1.094 . . . . 0.0 109.269 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.571 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 12.1 t80 -58.04 -39.23 77.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.981 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 59' ' ' ILE . 1.0 OUTLIER -67.2 -37.32 83.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.89 -52.29 66.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 110.285 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.403 ' N ' ' HD2' ' A' ' 65' ' ' ARG . 1.1 mpt_? -53.39 -55.8 21.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.257 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -54.4 -66.06 0.46 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.492 1.12 . . . . 0.0 109.552 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 26.5 m -54.26 150.04 9.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.4 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -56.77 156.61 6.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.292 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.31 166.17 33.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 63.7 155.75 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.135 . . . . 0.0 110.328 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.92 153.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -172.6 161.43 4.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 110.256 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -52.96 100.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.086 . . . . 0.0 110.012 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -173.3 -161.57 23.81 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -53.22 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.508 1.794 . . . . 0.0 111.0 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.28 147.29 1.97 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 110.036 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.3 t -54.34 -58.66 6.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.957 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.506 1.128 . . . . 0.0 110.978 -179.933 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.96 108.17 13.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 0.77 . . . . 0.0 110.049 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.1 m -160.79 149.38 16.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.039 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.8 149.48 5.21 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.53 1.144 . . . . 0.0 110.988 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.4 p -176.12 159.98 2.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 0.779 . . . . 0.0 110.017 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.5 m 60.11 115.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 110.022 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.55 149.87 5.53 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.478 1.111 . . . . 0.0 111.028 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.1 ttt -171.04 144.08 2.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 0.767 . . . . 0.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -88.03 158.24 18.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.085 . . . . 0.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.9 t -64.9 -40.22 94.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.582 1.176 . . . . 0.0 109.991 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -176.63 87.23 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 110.314 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -102.66 157.29 17.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.85 -51.4 67.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.418 ' CE2' ' HB2' ' A' ' 37' ' ' LYS . 3.7 m-85 -146.92 -166.87 2.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 110.981 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -112.29 131.13 55.68 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.463 1.102 . . . . 0.0 110.292 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.713 HG22 HG21 ' A' ' 34' ' ' VAL . 5.2 t -55.06 122.96 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -81.43 -49.64 10.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.331 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.408 ' O ' ' HA ' ' A' ' 34' ' ' VAL . 14.3 ptp180 177.88 164.93 0.67 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 0.0 110.323 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.577 ' HB ' ' CD2' ' A' ' 62' ' ' PHE . 4.4 mm -93.6 129.46 43.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.262 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.798 ' HB ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -107.41 -12.34 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.444 ' N ' ' HB3' ' A' ' 33' ' ' LEU . 24.9 t0 -174.23 179.12 1.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.329 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.571 ' HD2' ' CE1' ' A' ' 32' ' ' TYR . 1.6 tttt -169.38 128.43 1.0 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.413 ' NH1' ' HB3' ' A' ' 23' ' ' ARG . 2.6 mtp-105 -150.53 -178.95 6.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 110.351 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -104.64 148.98 25.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.589 1.181 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -76.36 -179.86 5.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.324 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.17 -36.71 72.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.583 1.177 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.42 -39.05 71.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 126.08 42.59 0.3 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.514 1.134 . . . . 0.0 110.966 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.5 mmtm -114.15 141.47 47.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 0.797 . . . . 0.0 109.339 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.443 ' O ' ' HA ' ' A' ' 48' ' ' PRO . 52.9 m -76.24 130.27 37.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 110.353 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.411 ' O ' ' HA ' ' A' ' 22' ' ' LYS . 31.7 mt-10 -129.1 140.8 51.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.25 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.571 ' CE1' ' HD2' ' A' ' 22' ' ' LYS . 49.8 m-85 -122.27 127.56 50.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.966 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.798 HD23 ' HB ' ' A' ' 20' ' ' VAL . 17.2 tp -73.65 109.02 6.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 109.358 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.713 HG21 HG22 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -124.7 137.77 56.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.267 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.539 ' C ' ' CG ' ' A' ' 36' ' ' TRP . 6.7 mmm-85 -84.26 176.49 8.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.278 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.647 ' CE2' HG22 ' A' ' 34' ' ' VAL . 2.3 m95 -161.72 157.01 23.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.584 1.177 . . . . 0.0 107.998 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.418 ' HB2' ' CE2' ' A' ' 14' ' ' TYR . 4.7 mmtt -64.94 156.91 29.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.115 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.04 -51.02 4.28 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.476 1.11 . . . . 0.0 111.063 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -89.39 140.64 29.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 0.747 . . . . 0.0 111.029 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 43' ' ' ASP . 3.3 m-20 -94.47 171.12 9.0 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.535 1.147 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.7 t -45.97 -56.83 4.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.059 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -51.79 -21.05 2.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.401 1.063 . . . . 0.0 110.319 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 40' ' ' ASP . 26.3 m-20 -113.41 42.11 2.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.257 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.515 ' CG ' HD11 ' A' ' 33' ' ' LEU . 8.5 p30 -83.77 176.08 9.2 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.412 1.07 . . . . 0.0 109.339 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.501 ' O ' HD12 ' A' ' 33' ' ' LEU . 67.5 p -136.17 168.8 18.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.424 1.078 . . . . 0.0 110.39 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.486 ' CE2' HD13 ' A' ' 33' ' ' LEU . 74.1 m95 -118.42 102.03 8.62 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.546 1.154 . . . . 0.0 107.975 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -99.95 134.6 20.82 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.095 . . . . 0.0 110.335 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.516 ' HG2' ' CG ' ' A' ' 51' ' ' HIS . 18.5 Cg_endo -74.95 142.53 28.15 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.537 1.809 . . . . 0.0 111.051 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -46.45 -50.27 17.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.262 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -50.8 -25.05 3.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 110.315 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.516 ' CG ' ' HG2' ' A' ' 48' ' ' PRO . 19.1 m170 -91.03 -26.11 19.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.574 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.629 HD22 HG21 ' A' ' 16' ' ' VAL . 74.2 mt -85.29 53.57 2.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.418 HG13 ' H ' ' A' ' 53' ' ' VAL . 1.0 OUTLIER -69.3 142.76 15.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.438 1.087 . . . . 0.0 109.238 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 59.32 18.36 6.63 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 80.4 m -120.49 9.97 11.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.583 1.177 . . . . 0.0 108.305 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -56.0 -33.45 64.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -45.18 -69.01 0.15 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.509 1.131 . . . . 0.0 110.301 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -49.68 -49.39 47.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 111.046 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.496 HG23 ' CE1' ' A' ' 32' ' ' TYR . 82.7 mt -52.58 -59.37 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.339 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -45.11 -51.51 10.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.577 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -58.42 -52.21 66.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.424 1.077 . . . . 0.0 109.336 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.577 ' CD2' ' HB ' ' A' ' 19' ' ' ILE . 10.3 t80 -56.8 -39.66 74.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 111.019 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.22 -49.0 77.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.143 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.49 -46.4 70.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 110.323 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.3 mmm180 -53.65 -56.14 19.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.311 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -53.39 -62.4 1.68 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.581 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 76.6 p -121.31 122.51 40.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.579 1.175 . . . . 0.0 110.443 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 70' ' ' GLN . 55.1 mt-10 -50.03 -55.42 14.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 69.77 -69.26 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' ' 68' ' ' GLU . 8.6 pt20 -173.13 152.29 2.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 110.301 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.433 ' O ' ' CB ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER 64.28 140.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.309 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.433 ' CB ' ' O ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER 81.21 100.09 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 110.303 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 31.3 p -91.36 -55.15 3.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.011 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 89.29 -140.18 15.57 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.532 1.145 . . . . 0.0 111.077 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 58.76 5.01 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.425 1.75 . . . . 0.0 111.033 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.57 112.65 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 0.0 109.999 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.99 110.91 4.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 110.02 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.463 1.102 . . . . 0.0 110.942 179.988 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.7 p -108.48 158.16 17.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 0.749 . . . . 0.0 109.992 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.2 t -139.45 117.53 11.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.531 1.144 . . . . 0.0 110.006 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.58 159.05 24.36 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.519 1.137 . . . . 0.0 110.995 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.5 m -127.99 -55.98 1.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 0.733 . . . . 0.0 110.018 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.4 m 61.58 165.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 110.001 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.24 111.13 0.86 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.509 1.131 . . . . 0.0 110.959 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -156.78 101.65 1.98 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 0.791 . . . . 0.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -176.93 -60.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.266 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -103.68 107.73 18.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.041 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.01 78.91 2.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 110.33 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -70.2 168.51 15.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.275 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.551 ' C ' ' CG ' ' A' ' 14' ' ' TYR . 0.1 OUTLIER -55.69 -68.38 0.21 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.101 . . . . 0.0 109.285 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.551 ' CG ' ' C ' ' A' ' 13' ' ' LEU . 12.1 m-85 -161.27 135.69 7.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -78.68 122.14 25.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 110.272 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.708 HG22 HG21 ' A' ' 34' ' ' VAL . 4.3 t -55.84 121.22 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.406 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 12.6 tt0 -82.27 -51.28 8.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 110.267 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.406 ' HB3' ' O ' ' A' ' 17' ' ' GLU . 15.4 ptp180 177.58 165.61 0.63 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.573 1.171 . . . . 0.0 110.334 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.571 ' HB ' ' CD1' ' A' ' 62' ' ' PHE . 4.0 mm -94.19 131.22 41.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.345 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.719 ' HB ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -110.97 -19.23 7.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.264 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -162.06 168.61 22.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.086 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.565 ' HG3' ' CD1' ' A' ' 32' ' ' TYR . 0.7 OUTLIER -167.77 134.31 2.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.243 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.94 175.79 13.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.29 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.471 ' CG ' ' HA2' ' A' ' 28' ' ' GLY . 3.1 ttpt -100.81 150.14 23.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.169 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 35.9 m-20 -92.59 -179.85 5.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.36 -40.7 98.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.572 1.17 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 31.3 mttp -71.4 -10.86 60.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.471 ' HA2' ' CG ' ' A' ' 24' ' ' LYS . . . 93.1 15.54 51.28 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -80.25 139.13 36.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 0.758 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.405 HG23 ' HE3' ' A' ' 22' ' ' LYS . 12.7 m -86.23 122.42 30.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.133 . . . . 0.0 110.37 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.413 ' O ' ' HA ' ' A' ' 22' ' ' LYS . 3.3 mm-40 -115.27 142.66 46.37 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.452 1.095 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.643 ' CE1' HG23 ' A' ' 59' ' ' ILE . 42.5 m-85 -123.91 122.49 38.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.596 1.185 . . . . 0.0 110.94 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.719 HD23 ' HB ' ' A' ' 20' ' ' VAL . 7.0 tp -72.82 109.61 6.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.708 HG21 HG22 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -122.49 141.04 44.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.552 ' O ' ' CG ' ' A' ' 36' ' ' TRP . 22.3 mtm180 -83.27 176.64 9.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.256 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.621 ' CE2' HG22 ' A' ' 34' ' ' VAL . 3.3 m95 -162.17 149.47 13.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 108.04 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.17 148.78 39.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.34 -51.46 4.18 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.49 1.119 . . . . 0.0 110.961 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -55.29 124.61 17.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 0.737 . . . . 0.0 111.007 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.92 -175.04 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.25 -44.93 82.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.937 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.75 22.87 3.34 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 110.274 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -110.63 -18.5 13.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.097 . . . . 0.0 109.276 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -42.58 147.1 0.3 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 47.8 p -118.12 160.01 22.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.401 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.549 ' NE1' HD13 ' A' ' 33' ' ' LEU . 38.8 m95 -102.05 119.05 38.17 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -109.82 131.33 22.0 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.524 1.14 . . . . 0.0 110.321 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.459 ' HG2' ' CG ' ' A' ' 51' ' ' HIS . 18.3 Cg_endo -74.92 136.01 19.99 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.515 1.797 . . . . 0.0 111.029 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.32 -41.12 2.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.599 ' O ' HG23 ' A' ' 53' ' ' VAL . 22.0 tt0 -54.18 -41.08 68.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.332 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.459 ' CG ' ' HG2' ' A' ' 48' ' ' PRO . 0.3 OUTLIER -76.85 -32.24 57.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.587 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.458 ' CD2' HG21 ' A' ' 16' ' ' VAL . 26.2 mt -78.28 65.85 3.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 50' ' ' GLN . 48.6 t -87.36 138.39 19.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.255 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 68.32 9.91 7.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 26.5 m -118.36 19.77 13.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 108.335 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.83 -34.97 73.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 110.232 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -44.42 -64.31 0.71 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 110.314 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -48.81 -61.3 2.12 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.453 1.096 . . . . 0.0 110.986 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.643 HG23 ' CE1' ' A' ' 32' ' ' TYR . 11.5 mt -48.37 -41.71 11.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.254 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -61.61 -47.22 86.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.602 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -61.92 -45.47 93.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.162 . . . . 0.0 109.395 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.571 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 16.7 t80 -60.49 -38.89 85.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.42 1.075 . . . . 0.0 111.016 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.18 -48.57 75.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.425 1.078 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.8 mmt180 -58.02 -50.74 72.38 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.57 1.168 . . . . 0.0 110.289 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.5 mtt-85 -58.54 -53.96 52.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.572 1.17 . . . . 0.0 110.279 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -55.41 -63.49 1.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.635 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 18.1 m -56.29 158.07 4.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.122 . . . . 0.0 110.424 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -115.02 115.69 27.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.7 tptp -140.77 159.02 43.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -76.34 99.48 4.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.347 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.72 120.87 2.08 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.526 1.141 . . . . 0.0 109.244 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -86.85 122.28 30.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 110.309 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -91.31 135.88 33.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.961 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -109.9 147.3 17.19 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.521 1.138 . . . . 0.0 111.03 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 101.07 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.504 1.792 . . . . 0.0 111.04 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 83.8 p -123.56 97.51 5.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.063 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.8 m -106.95 124.69 49.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.573 1.171 . . . . 0.0 109.913 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.472 1.108 . . . . 0.0 111.004 179.941 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.5 p 179.83 107.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 0.747 . . . . 0.0 109.971 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.74 151.2 0.88 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.976 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.42 104.79 0.3 Allowed Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.522 1.139 . . . . 0.0 111.019 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.0 p -176.19 167.94 2.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 0.735 . . . . 0.0 110.063 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.36 163.13 0.69 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.128 . . . . 0.0 110.015 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.79 85.87 0.08 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.431 1.082 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.4 mmt -125.16 162.92 23.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 0.783 . . . . 0.0 111.039 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.48 174.2 2.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.607 1.192 . . . . 0.0 109.26 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.7 t -171.07 132.76 0.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.987 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -127.53 34.53 4.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.306 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -69.87 169.58 12.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 110.278 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.89 -50.91 64.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -145.72 -166.92 2.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -103.53 126.18 50.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 110.301 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.606 HG22 HG21 ' A' ' 34' ' ' VAL . 6.2 t -69.45 120.2 16.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.444 ' OE2' ' NH1' ' A' ' 18' ' ' ARG . 10.8 tt0 -78.19 -51.58 10.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.316 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.444 ' NH1' ' OE2' ' A' ' 17' ' ' GLU . 9.3 ptp85 177.25 164.81 0.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 110.335 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.614 HD12 ' HB3' ' A' ' 32' ' ' TYR . 3.6 mm -93.52 131.29 40.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.258 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.698 ' HB ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -111.17 -18.36 7.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 109.32 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.448 ' OD1' ' N ' ' A' ' 22' ' ' LYS . 5.2 t0 -166.23 172.22 11.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.57 ' HD2' ' CE1' ' A' ' 32' ' ' TYR . 1.1 tttt -164.68 133.48 3.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.78 176.75 11.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 110.34 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.48 ' CG ' ' HA2' ' A' ' 28' ' ' GLY . 2.8 ttpt -104.88 146.02 29.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.42 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 1.6 m-20 -80.84 167.04 20.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.423 ' HG3' ' N ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -57.85 -31.72 66.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.313 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.423 ' N ' ' HG3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -75.89 -20.37 58.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.48 ' HA2' ' CG ' ' A' ' 24' ' ' LYS . . . 103.38 21.6 9.79 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.477 1.111 . . . . 0.0 110.946 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.27 139.02 31.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.43 0.723 . . . . 0.0 109.276 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.44 ' O ' ' HA ' ' A' ' 48' ' ' PRO . 31.3 m -82.41 126.17 31.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.577 1.173 . . . . 0.0 110.43 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -129.78 131.46 46.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.339 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.716 ' CE1' HG23 ' A' ' 59' ' ' ILE . 74.3 m-85 -108.75 128.98 55.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 111.036 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.698 HD23 ' HB ' ' A' ' 20' ' ' VAL . 6.6 tp -73.93 109.72 7.65 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.563 1.164 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.618 HG22 ' CE2' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -122.5 147.73 26.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.552 ' C ' ' CG ' ' A' ' 36' ' ' TRP . 24.0 mmm-85 -91.22 175.07 7.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.284 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.618 ' CE2' HG22 ' A' ' 34' ' ' VAL . 1.8 m95 -162.46 165.64 25.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.554 1.159 . . . . 0.0 107.997 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.59 146.76 46.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.16 -43.83 3.16 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.473 1.108 . . . . 0.0 111.016 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -81.96 122.71 28.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 0.783 . . . . 0.0 111.015 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.421 ' N ' ' HB2' ' A' ' 43' ' ' ASP . 0.5 OUTLIER -64.07 -158.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.403 1.064 . . . . 0.0 109.318 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.405 ' O ' ' CG ' ' A' ' 44' ' ' ASP . 0.5 OUTLIER -78.13 -37.87 45.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.974 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -87.34 10.53 17.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.421 ' HB2' ' N ' ' A' ' 40' ' ' ASP . 9.0 m-20 -107.71 -15.24 14.62 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.405 ' CG ' ' O ' ' A' ' 41' ' ' SER . 0.5 OUTLIER -40.05 140.9 0.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 109.334 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.405 ' OG1' ' NE1' ' A' ' 36' ' ' TRP . 55.6 p -109.22 161.54 15.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.409 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.465 ' NE1' HD13 ' A' ' 33' ' ' LEU . 63.4 m95 -106.41 113.83 27.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.537 1.148 . . . . 0.0 107.983 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -111.69 136.22 21.11 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 110.267 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.447 ' O ' ' N ' ' A' ' 51' ' ' HIS . 18.4 Cg_endo -74.94 134.85 18.43 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.554 1.818 . . . . 0.0 111.075 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.76 -31.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.317 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.521 ' O ' HG23 ' A' ' 53' ' ' VAL . 3.4 tt0 -56.92 -49.6 75.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.293 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.447 ' N ' ' O ' ' A' ' 48' ' ' PRO . 0.4 OUTLIER -70.6 -26.16 63.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.561 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.541 ' CD2' HG21 ' A' ' 16' ' ' VAL . 22.8 mt -84.21 69.35 10.41 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 50' ' ' GLN . 68.5 t -86.87 138.41 19.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 61.32 21.33 11.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.247 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 19.7 m -115.36 15.27 16.86 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.561 1.163 . . . . 0.0 108.307 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.18 -42.37 73.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.573 1.171 . . . . 0.0 110.31 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -40.98 -65.1 0.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.297 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -49.3 -62.02 1.77 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.383 1.052 . . . . 0.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.716 HG23 ' CE1' ' A' ' 32' ' ' TYR . 12.0 mt -46.79 -42.29 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.339 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -60.33 -59.65 5.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.608 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -52.34 -37.21 55.47 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.571 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 78.6 t80 -68.78 -28.46 66.8 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.527 1.142 . . . . 0.0 111.043 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -86.37 -43.1 13.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.425 ' HG3' ' N ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -69.36 -27.11 65.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.588 1.18 . . . . 0.0 110.314 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.425 ' N ' ' HG3' ' A' ' 64' ' ' ARG . 2.3 mmm180 -50.22 -56.44 11.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 110.367 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -44.85 -64.72 0.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.639 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.4 HG22 ' N ' ' A' ' 68' ' ' GLU . 54.7 m -69.3 165.44 20.63 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.456 1.097 . . . . 0.0 110.413 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.4 ' N ' HG22 ' A' ' 67' ' ' THR . 27.6 mt-10 -113.82 110.92 20.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.343 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 71' ' ' LYS . 1.0 OUTLIER -125.54 108.4 11.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.353 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -45.11 96.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -175.99 162.91 2.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.605 1.191 . . . . 0.0 109.311 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 64.34 133.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.295 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.6 m -111.48 140.97 45.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.987 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 147.91 -149.78 21.9 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.484 1.115 . . . . 0.0 110.936 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 109.65 2.97 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.515 1.797 . . . . 0.0 111.01 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 15.7 m -123.54 165.51 17.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.994 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.5 p -94.33 167.08 11.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.991 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.542 1.152 . . . . 0.0 110.967 -179.976 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.7 t -143.83 141.12 30.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 0.772 . . . . 0.0 109.966 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.8 p -178.53 166.22 1.77 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 110.042 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.6 -67.49 0.69 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.477 1.11 . . . . 0.0 111.044 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 66.36 135.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 0.731 . . . . 0.0 110.026 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 62.04 153.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.016 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.23 -144.52 5.64 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -174.12 -60.69 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 0.785 . . . . 0.0 111.008 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -109.68 -64.79 1.21 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 39.8 m -50.25 167.64 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.573 1.171 . . . . 0.0 110.018 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -148.01 121.21 8.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 110.278 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -118.15 160.75 21.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.56 1.162 . . . . 0.0 110.314 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.6 -52.99 63.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -139.1 -166.87 2.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.922 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -139.18 140.45 37.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 110.304 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.648 HG22 HG21 ' A' ' 34' ' ' VAL . 4.0 t -72.56 116.94 15.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.412 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 22.1 tt0 -68.65 -53.0 25.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.552 1.157 . . . . 0.0 110.357 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.412 ' HB3' ' O ' ' A' ' 17' ' ' GLU . 15.2 ptp180 177.13 165.07 0.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.573 1.171 . . . . 0.0 110.277 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.598 HG21 ' HD1' ' A' ' 32' ' ' TYR . 5.4 mm -90.01 123.89 42.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.566 1.166 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -102.17 -20.75 5.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.525 1.141 . . . . 0.0 109.277 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.503 ' HB3' ' CH2' ' A' ' 46' ' ' TRP . 7.5 t0 -163.64 175.54 10.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.229 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.571 ' HG3' ' CD1' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -171.56 128.97 0.67 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -153.42 179.71 8.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.143 . . . . 0.0 110.246 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.73 157.91 26.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 25.1 m-20 -101.77 170.62 8.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.246 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.78 -31.17 37.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.24 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -67.74 -41.85 82.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 0.0 109.341 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 116.38 11.84 9.36 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.487 1.117 . . . . 0.0 110.955 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -80.49 135.66 36.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 0.752 . . . . 0.0 109.277 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 53.1 m -84.62 126.94 33.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 110.362 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.432 ' OE2' ' N ' ' A' ' 48' ' ' PRO . 5.4 mm-40 -124.77 139.92 53.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.331 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.598 ' HD1' HG21 ' A' ' 19' ' ' ILE . 43.9 m-85 -121.13 120.09 34.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 110.992 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.618 HD13 ' NE1' ' A' ' 46' ' ' TRP . 51.5 tp -71.21 109.57 5.33 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.648 HG21 HG22 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -119.9 143.41 31.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.458 1.098 . . . . 0.0 109.265 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.553 ' O ' ' CG ' ' A' ' 36' ' ' TRP . 0.0 OUTLIER -85.19 176.49 8.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.098 . . . . 0.0 110.25 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.632 ' CH2' HG22 ' A' ' 16' ' ' VAL . 2.7 m95 -162.48 151.33 15.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 108.022 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.18 143.07 55.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.354 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.2 -45.91 3.02 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.518 1.136 . . . . 0.0 111.04 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -83.59 129.23 34.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 0.744 . . . . 0.0 110.956 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.423 ' N ' ' HB2' ' A' ' 43' ' ' ASP . 4.3 m-20 -71.69 -170.19 0.52 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.8 t -66.73 -51.79 51.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 110.029 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -64.46 -12.29 42.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.436 1.085 . . . . 0.0 110.319 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.423 ' HB2' ' N ' ' A' ' 40' ' ' ASP . 1.8 m-20 -92.99 -21.63 19.65 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -41.07 146.16 0.18 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.423 ' OG1' ' NE1' ' A' ' 36' ' ' TRP . 74.7 p -113.0 170.71 8.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.413 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.618 ' NE1' HD13 ' A' ' 33' ' ' LEU . 57.9 m95 -114.54 113.17 24.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 108.019 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -105.38 133.62 20.08 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.342 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.507 ' HG2' ' CG ' ' A' ' 51' ' ' HIS . 18.4 Cg_endo -74.93 138.05 22.69 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.472 1.775 . . . . 0.0 111.063 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.464 ' HG2' HD13 ' A' ' 59' ' ' ILE . 0.2 OUTLIER -43.26 -56.11 3.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -47.58 -31.31 4.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.316 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.507 ' CG ' ' HG2' ' A' ' 48' ' ' PRO . 7.2 m170 -83.62 -31.95 25.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.626 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.63 ' CD2' HG21 ' A' ' 16' ' ' VAL . 36.9 mt -77.72 64.79 3.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.359 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.0 t -83.88 142.42 13.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 0.0 109.27 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 65.15 12.13 7.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.347 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 32.0 m -124.02 18.45 9.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 108.307 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -59.83 -35.89 75.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.345 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 50.0 tt0 -42.68 -65.12 0.51 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.328 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -49.62 -57.55 6.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.964 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.514 HG23 ' CE1' ' A' ' 32' ' ' TYR . 81.2 mt -49.77 -53.69 9.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 23.5 m80 -50.25 -50.92 48.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.548 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -60.04 -59.67 5.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.576 ' CD2' ' HB ' ' A' ' 19' ' ' ILE . 4.4 t80 -49.35 -47.78 47.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -54.16 -46.8 72.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.8 mmt-85 -57.94 -54.73 43.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.423 1.077 . . . . 0.0 110.28 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.2 mmm180 -54.03 -48.11 70.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.312 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.19 -63.22 1.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.621 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 60.9 p -62.41 178.84 0.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 110.419 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -97.09 158.53 15.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -164.38 177.56 8.14 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.434 1.084 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -105.13 49.42 0.81 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 110.306 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.56 69.58 1.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.368 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -176.17 155.3 1.51 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 110.319 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.4 t -124.69 115.44 20.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.573 1.17 . . . . 0.0 109.975 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 134.55 170.35 12.21 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.577 1.173 . . . . 0.0 110.981 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 68.1 5.76 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.487 1.783 . . . . 0.0 111.019 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 49.4 m 65.93 161.14 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 110.038 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.4 t -144.71 124.74 13.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.425 1.078 . . . . 0.0 110.076 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 -179.939 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t 67.85 117.12 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.408 0.711 . . . . 0.0 110.054 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 176.44 158.84 0.3 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.535 1.147 . . . . 0.0 109.96 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.6 80.16 0.03 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.57 1.169 . . . . 0.0 111.021 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.0 t -170.83 136.75 1.19 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 0.737 . . . . 0.0 110.04 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 175.84 136.81 0.05 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 110.098 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.7 163.52 8.79 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.525 1.14 . . . . 0.0 111.011 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -166.64 92.92 0.47 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.546 0.792 . . . . 0.0 111.092 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -173.53 -59.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.09 . . . . 0.0 109.327 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.8 m -47.84 174.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.093 . . . . 0.0 110.037 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 178.03 145.12 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.438 1.086 . . . . 0.0 110.318 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -105.12 163.67 12.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.343 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.64 -54.22 49.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.262 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -138.73 -166.55 2.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 110.969 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.78 140.7 44.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.317 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.609 HG22 HG21 ' A' ' 34' ' ' VAL . 5.3 t -62.57 122.5 13.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.413 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 11.6 tt0 -77.67 -50.27 12.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.413 ' HB3' ' O ' ' A' ' 17' ' ' GLU . 8.4 ptp180 177.59 168.41 0.66 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 110.255 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.569 HD12 ' HB3' ' A' ' 32' ' ' TYR . 2.9 mm -96.58 129.42 46.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.717 ' HB ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -108.53 -12.24 10.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.1 . . . . 0.0 109.264 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.42 ' HB3' ' CH2' ' A' ' 46' ' ' TRP . 16.2 t0 -173.47 167.78 4.61 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.425 1.078 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.58 ' HG3' ' CE1' ' A' ' 32' ' ' TYR . 0.5 OUTLIER -159.44 139.27 11.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 109.331 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.438 ' N ' ' HG2' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -163.46 179.67 7.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.31 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -110.45 162.6 14.52 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.418 ' ND2' ' O ' ' A' ' 29' ' ' LYS . 0.7 OUTLIER -109.43 175.94 5.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.27 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.34 -18.99 65.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.416 1.072 . . . . 0.0 109.344 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.6 mttt -77.18 -42.55 37.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.259 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 119.04 -0.58 14.78 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.443 1.089 . . . . 0.0 111.043 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.533 ' N ' ' CD ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -78.4 142.2 37.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 0.734 . . . . 0.0 109.226 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.54 HG22 ' CE2' ' A' ' 32' ' ' TYR . 7.6 m -85.37 121.67 28.42 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.532 1.145 . . . . 0.0 110.379 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -116.05 150.18 37.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.11 . . . . 0.0 110.333 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.58 ' CE1' ' HG3' ' A' ' 22' ' ' LYS . 72.2 m-85 -130.53 127.75 39.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.966 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.717 HD23 ' HB ' ' A' ' 20' ' ' VAL . 6.8 tp -73.54 109.52 7.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.609 HG21 HG22 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -123.8 144.32 33.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.251 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.556 ' O ' ' CG ' ' A' ' 36' ' ' TRP . 1.1 mmp_? -86.85 176.02 7.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 110.26 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.598 ' CH2' HG22 ' A' ' 16' ' ' VAL . 2.2 m95 -162.81 155.97 19.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 108.032 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -84.9 165.2 17.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.5 -36.95 3.34 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.491 1.119 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.403 ' HB3' ' CB ' ' A' ' 43' ' ' ASP . 31.7 m-85 -92.98 172.15 8.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 0.772 . . . . 0.0 110.932 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -79.13 -173.92 3.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.4 m -79.72 -36.18 37.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.941 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -91.17 26.57 2.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.608 1.193 . . . . 0.0 110.275 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 44' ' ' ASP . 9.4 t0 -106.46 -13.93 15.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 43' ' ' ASP . 2.2 p30 -39.73 132.61 1.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.248 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.8 p -111.5 -177.41 3.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 110.445 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.443 ' NE1' HD13 ' A' ' 33' ' ' LEU . 61.1 m95 -119.78 112.87 19.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 108.051 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -108.06 141.35 22.97 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 110.292 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.493 ' HG2' ' CG ' ' A' ' 51' ' ' HIS . 18.4 Cg_endo -75.01 134.9 18.35 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.485 1.781 . . . . 0.0 110.98 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -40.38 -44.0 1.88 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.09 . . . . 0.0 110.338 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -52.09 -43.44 63.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.601 1.188 . . . . 0.0 110.347 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.493 ' CG ' ' HG2' ' A' ' 48' ' ' PRO . 0.3 OUTLIER -76.27 -20.91 56.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.556 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.52 HD22 HG21 ' A' ' 16' ' ' VAL . 29.9 mt -92.1 64.37 4.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.258 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 71.0 t -73.9 139.25 19.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 67.77 12.25 8.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.472 ' SG ' HG11 ' A' ' 16' ' ' VAL . 47.2 t -90.69 -22.0 21.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.579 1.174 . . . . 0.0 108.231 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 55' ' ' CYS . 31.8 mt-10 -36.01 -39.4 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.292 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -53.86 -53.13 56.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.288 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.454 ' N ' ' O ' ' A' ' 55' ' ' CYS . 50.8 m-85 -66.38 -52.87 42.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.986 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.53 HG23 ' CE1' ' A' ' 32' ' ' TYR . 6.4 mt -48.78 -50.25 13.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -46.58 -62.98 1.13 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.625 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -50.81 -49.87 57.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.356 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.568 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 11.1 t80 -56.14 -40.72 74.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 110.949 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -65.2 -43.26 92.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 -53.55 -52.51 59.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.6 mmt180 -51.01 -56.61 11.65 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.542 1.151 . . . . 0.0 110.275 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -59.11 -68.31 0.29 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 109.625 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 16.7 m -50.96 151.76 2.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.414 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -73.27 142.39 47.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.284 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.07 168.2 13.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.241 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -174.76 95.04 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.242 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.9 175.72 7.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 65.95 88.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.326 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.9 t -81.46 -57.84 3.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 110.022 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -83.4 122.33 5.75 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.417 1.073 . . . . 0.0 111.025 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 124.29 8.52 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.562 1.822 . . . . 0.0 111.039 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.6 p -95.79 171.86 8.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.984 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 82.8 p -131.91 149.04 52.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 110.014 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 O-C-N 124.493 1.121 . . . . 0.0 111.021 179.982 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 71.66 -63.5 0.42 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 0.755 . . . . 0.0 110.031 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.9 t 62.1 122.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.523 1.14 . . . . 0.0 109.963 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.98 91.32 1.1 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.46 1.1 . . . . 0.0 110.988 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.11 -60.72 1.76 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 0.761 . . . . 0.0 110.016 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 m -148.76 150.15 32.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 110.054 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.35 133.72 2.21 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.514 1.134 . . . . 0.0 110.951 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.0 ttm -168.15 -54.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 0.758 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.21 122.19 13.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 41.0 t -161.31 117.61 2.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.483 1.114 . . . . 0.0 110.048 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -102.78 34.02 2.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -72.05 170.02 14.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.284 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.83 -51.15 19.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.225 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -148.03 -167.21 2.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.96 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.53 131.97 45.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.337 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.579 HG22 HG21 ' A' ' 34' ' ' VAL . 11.7 t -59.25 126.36 16.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.259 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -86.99 -48.55 8.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.431 1.082 . . . . 0.0 110.239 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 177.76 166.2 0.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.322 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.546 ' HB ' ' CD1' ' A' ' 62' ' ' PHE . 3.6 mm -95.19 128.74 46.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.708 ' HB ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -108.34 -12.64 10.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.498 ' HB3' ' CH2' ' A' ' 46' ' ' TRP . 15.0 t0 -174.71 173.19 2.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.571 ' HD2' ' CE1' ' A' ' 32' ' ' TYR . 0.5 OUTLIER -162.95 137.79 6.53 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.418 ' N ' ' HG2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -158.4 -179.02 7.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 110.241 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.19 161.79 17.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -99.38 173.21 6.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.15 -35.22 64.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.353 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.91 -30.19 67.55 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 108.86 11.51 22.59 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.451 1.094 . . . . 0.0 111.08 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp -76.32 136.5 39.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 0.741 . . . . 0.0 109.336 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.426 HG23 ' HE2' ' A' ' 22' ' ' LYS . 48.6 m -78.61 132.73 37.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.429 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -134.05 143.93 48.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.583 ' CE1' HG23 ' A' ' 59' ' ' ILE . 73.0 m-85 -123.48 127.43 48.36 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.517 1.136 . . . . 0.0 110.964 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.708 HD23 ' HB ' ' A' ' 20' ' ' VAL . 6.7 tp -74.13 110.6 8.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.615 HG22 ' CE2' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -123.84 145.76 30.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.09 . . . . 0.0 109.239 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.58 ' NH1' HG11 ' A' ' 20' ' ' VAL . 1.9 mtm-85 -88.58 174.26 8.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 110.3 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.615 ' CE2' HG22 ' A' ' 34' ' ' VAL . 1.9 m95 -162.28 161.19 27.55 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.498 1.124 . . . . 0.0 107.996 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.9 mttt -64.5 141.79 58.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 109.212 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.27 -40.48 3.08 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.499 1.124 . . . . 0.0 110.988 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -73.18 115.24 12.28 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.52 0.776 . . . . 0.0 111.005 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -63.15 -156.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.15 . . . . 0.0 109.272 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.1 t -76.01 -48.54 20.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.943 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -90.68 24.2 2.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 110.248 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 44' ' ' ASP . 1.4 t0 -110.98 -29.45 7.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.346 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 43' ' ' ASP . 5.0 m-20 -39.34 152.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.416 ' O ' HD12 ' A' ' 33' ' ' LEU . 15.7 p -118.69 -175.63 2.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.385 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.541 ' NE1' HD13 ' A' ' 33' ' ' LEU . 59.9 m95 -121.85 118.71 29.62 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 108.019 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -114.79 139.77 24.57 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.585 1.178 . . . . 0.0 110.337 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.448 ' O ' ' N ' ' A' ' 51' ' ' HIS . 18.2 Cg_endo -74.96 137.12 21.39 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.459 1.768 . . . . 0.0 110.988 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -40.71 -41.03 1.44 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -53.66 -44.57 69.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.34 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.448 ' N ' ' O ' ' A' ' 48' ' ' PRO . 0.3 OUTLIER -76.75 -18.43 58.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.579 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.476 ' CD1' ' HB2' ' A' ' 32' ' ' TYR . 29.7 mt -94.8 65.16 2.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.1 m -79.03 141.37 15.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.341 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 65.53 16.71 10.64 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.555 1.159 . . . . 0.0 109.25 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.407 ' O ' ' C ' ' A' ' 56' ' ' GLU . 4.5 t -100.75 -15.08 17.79 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.507 1.129 . . . . 0.0 108.26 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 55' ' ' CYS . 10.9 mt-10 -37.26 -40.42 0.33 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.327 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -50.83 -56.1 13.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 110.275 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -62.48 -53.41 55.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 110.973 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.583 HG23 ' CE1' ' A' ' 32' ' ' TYR . 10.6 mt -49.48 -41.79 16.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -60.47 -47.69 85.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 109.577 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -63.63 -25.56 68.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.546 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 61.9 t80 -83.71 -29.08 27.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 111.033 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -82.11 -31.31 30.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -75.73 -27.26 58.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 110.333 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.424 ' N ' ' HG3' ' A' ' 64' ' ' ARG . 1.9 mmm180 -58.14 -52.9 63.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.31 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.95 -69.76 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.645 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 10.8 m -62.41 124.96 22.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.397 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -83.21 -51.96 7.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.269 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 72.05 -70.04 0.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.428 1.08 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -133.87 -59.26 0.85 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.48 1.112 . . . . 0.0 110.294 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.8 135.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.327 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -178.22 124.42 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.313 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.2 t 65.02 85.43 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.167 . . . . 0.0 110.026 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -101.92 -122.29 5.02 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.545 1.153 . . . . 0.0 111.028 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 173.82 13.85 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.542 1.811 . . . . 0.0 110.946 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 51.67 80.77 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.029 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 30.8 p -163.13 -58.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.023 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.486 1.116 . . . . 0.0 110.924 -179.983 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -138.63 -58.42 0.62 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 0.75 . . . . 0.0 110.006 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.74 165.34 14.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 110.039 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.79 96.98 0.11 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.521 1.138 . . . . 0.0 111.027 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.77 144.45 30.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.762 . . . . 0.0 109.981 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.0 t -114.83 -62.28 1.62 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 110.038 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.56 143.49 4.03 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.488 1.118 . . . . 0.0 110.972 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.582 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 1.0 OUTLIER -88.11 130.63 34.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.424 0.72 . . . . 0.0 111.02 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.582 ' HB3' ' O ' ' A' ' 8' ' ' MET . . . 75.83 118.49 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.4 m -148.61 102.57 3.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.954 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -141.84 83.15 1.84 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.221 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -95.02 171.1 8.96 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.01 -68.11 0.3 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -129.78 -168.31 1.93 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.588 1.18 . . . . 0.0 110.968 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -138.75 140.83 38.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.745 HG21 HD22 ' A' ' 52' ' ' LEU . 4.1 t -71.21 118.55 16.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.406 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 18.2 tt0 -75.47 -51.77 12.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.406 ' HB3' ' O ' ' A' ' 17' ' ' GLU . 15.6 ptp180 177.73 167.88 0.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.366 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.567 ' HB ' ' CD2' ' A' ' 62' ' ' PHE . 4.1 mm -96.08 130.31 44.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.218 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.699 ' HB ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -109.71 -22.31 5.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.467 1.104 . . . . 0.0 109.246 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.49 ' HB3' ' CH2' ' A' ' 46' ' ' TRP . 14.9 t0 -161.82 169.75 20.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.569 ' HG3' ' CD1' ' A' ' 32' ' ' TYR . 3.8 tttm -153.79 139.97 18.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.453 1.095 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.432 ' N ' ' HG2' ' A' ' 22' ' ' LYS . 0.6 OUTLIER -158.65 -179.11 7.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.37 149.96 24.92 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.46 1.1 . . . . 0.0 109.326 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -78.6 179.85 6.87 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.541 1.15 . . . . 0.0 109.253 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.9 tmmm? -70.74 -37.75 73.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.255 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.27 -32.16 64.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 119.23 35.45 0.94 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -105.45 140.83 37.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 0.774 . . . . 0.0 109.259 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.458 ' O ' ' HA ' ' A' ' 48' ' ' PRO . 89.1 m -68.13 122.87 19.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 110.353 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -118.5 139.84 50.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 110.324 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.569 ' CD1' ' HG3' ' A' ' 22' ' ' LYS . 51.9 m-85 -125.83 125.0 42.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.142 . . . . 0.0 111.054 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.699 HD23 ' HB ' ' A' ' 20' ' ' VAL . 6.4 tp -73.22 110.39 7.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 109.265 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.65 HG21 HG22 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -123.89 142.96 38.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.464 1.102 . . . . 0.0 109.262 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.541 ' O ' ' CG ' ' A' ' 36' ' ' TRP . 0.8 OUTLIER -84.88 176.13 8.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.331 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.6 ' CE2' HG22 ' A' ' 34' ' ' VAL . 2.8 m95 -162.4 151.17 15.0 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.4 pttt -68.99 154.89 41.29 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.72 -42.27 3.06 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.538 1.149 . . . . 0.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -83.88 157.88 21.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 0.764 . . . . 0.0 111.051 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.12 -157.34 0.19 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.6 p -86.49 -41.57 14.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.948 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -83.24 3.49 30.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.382 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -96.87 -11.12 25.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.454 ' OD1' ' N ' ' A' ' 44' ' ' ASP . 1.0 OUTLIER -42.43 141.62 0.95 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.311 179.915 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.446 ' OG1' ' NE1' ' A' ' 36' ' ' TRP . 70.8 p -112.21 166.39 11.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 110.38 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.49 ' CH2' ' HB3' ' A' ' 21' ' ' ASP . 61.2 m95 -108.78 124.84 51.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 108.026 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -118.63 137.19 24.59 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 110.244 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.458 ' HA ' ' O ' ' A' ' 30' ' ' THR . 18.2 Cg_endo -75.04 138.42 22.9 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.428 1.752 . . . . 0.0 110.96 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.559 ' HG2' HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -45.91 -45.56 15.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.249 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -53.88 -28.64 37.56 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.457 ' CG ' ' HG2' ' A' ' 48' ' ' PRO . 19.0 m170 -90.67 -22.54 21.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.643 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.745 HD22 HG21 ' A' ' 16' ' ' VAL . 85.3 mt -86.9 54.1 3.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -72.15 144.3 13.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.148 . . . . 0.0 109.233 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 58.92 16.95 4.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 109.285 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 71.5 m -120.58 4.13 10.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.16 . . . . 0.0 108.286 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.404 ' HA ' HD12 ' A' ' 59' ' ' ILE . 2.3 mt-10 -51.77 -35.44 43.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -42.25 -62.51 0.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -55.7 -52.39 64.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 111.031 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.559 HD13 ' HG2' ' A' ' 49' ' ' GLU . 30.2 mt -51.32 -49.75 29.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 29.2 m80 -55.2 -48.83 73.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.621 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -60.82 -37.39 81.85 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.567 ' CD2' ' HB ' ' A' ' 19' ' ' ILE . 39.3 t80 -70.57 -28.94 65.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 111.044 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -85.87 -36.17 20.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.13 . . . . 0.0 109.346 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.437 ' HG3' ' N ' ' A' ' 65' ' ' ARG . 0.1 OUTLIER -78.29 -26.31 46.99 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.437 ' N ' ' HG3' ' A' ' 64' ' ' ARG . 1.9 mmm180 -52.32 -53.32 45.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 110.293 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 21.6 t-160 -47.2 -64.07 0.88 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 109.583 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 99.3 m -61.48 144.82 53.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.595 1.184 . . . . 0.0 110.385 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -120.14 109.18 15.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 110.344 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.7 mttp -142.57 -59.96 0.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.343 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -47.0 -70.66 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.298 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.71 -168.52 2.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.242 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 59.78 165.85 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.27 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.4 m -62.02 -58.67 6.98 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.432 1.082 . . . . 0.0 110.086 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 48.4 -146.23 5.64 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.564 1.165 . . . . 0.0 110.992 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 112.01 3.46 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.48 1.779 . . . . 0.0 111.014 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 52.0 p -43.68 122.59 2.79 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 110.034 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.41 143.54 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.99 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.483 1.114 . . . . 0.0 110.989 179.983 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.39 159.51 14.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 0.764 . . . . 0.0 110.049 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.25 131.64 35.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 110.01 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.27 138.65 42.82 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.562 1.164 . . . . 0.0 110.972 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.9 p -151.53 127.29 10.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 0.746 . . . . 0.0 109.938 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.7 t -98.59 169.08 9.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.052 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.85 128.32 3.31 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.436 1.085 . . . . 0.0 110.97 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.5 mtt -81.44 -55.89 4.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 0.788 . . . . 0.0 110.972 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 63.7 97.02 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.63 169.07 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.968 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -139.81 127.07 21.23 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.572 1.17 . . . . 0.0 110.238 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.14 160.04 13.54 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 110.308 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.579 ' O ' ' CD1' ' A' ' 14' ' ' TYR . 0.1 OUTLIER -51.69 -68.15 0.19 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.579 ' CD1' ' O ' ' A' ' 13' ' ' LEU . 7.1 m-85 -160.44 134.59 7.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 110.994 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -118.11 141.96 47.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.263 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.731 HG22 HG21 ' A' ' 34' ' ' VAL . 4.1 t -59.74 119.98 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.404 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 14.0 tt0 -75.75 -50.93 13.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 110.305 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.447 ' O ' ' HA ' ' A' ' 34' ' ' VAL . 14.6 ptp180 177.64 163.66 0.59 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.433 1.083 . . . . 0.0 110.286 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.573 ' HB ' ' CD1' ' A' ' 62' ' ' PHE . 4.4 mm -89.53 128.39 41.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.697 ' HB ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -106.61 -14.36 9.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 -179.927 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.491 ' HB3' ' CH2' ' A' ' 46' ' ' TRP . 13.2 t0 -170.71 168.91 7.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.587 ' HG3' ' CE1' ' A' ' 32' ' ' TYR . 0.6 OUTLIER -156.8 139.03 14.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 0.0 109.271 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.465 ' O ' ' CG ' ' A' ' 31' ' ' GLU . 0.5 OUTLIER -161.9 -178.37 6.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.436 1.085 . . . . 0.0 110.272 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -116.6 162.01 18.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 -99.62 169.78 9.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.73 -29.28 62.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.0 mttm -72.7 -34.41 67.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.165 . . . . 0.0 109.325 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 115.42 8.0 15.27 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.507 1.129 . . . . 0.0 111.028 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.2 mmmt -78.46 134.63 37.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.542 0.789 . . . . 0.0 109.293 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.462 ' O ' ' HA ' ' A' ' 48' ' ' PRO . 20.9 m -77.65 129.34 35.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.422 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.602 ' OE2' ' CE3' ' A' ' 46' ' ' TRP . 8.7 pt-20 -123.49 149.12 45.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.323 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.687 ' CE1' HG23 ' A' ' 59' ' ' ILE . 51.9 m-85 -131.59 119.56 21.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.697 HD23 ' HB ' ' A' ' 20' ' ' VAL . 6.1 tp -70.96 112.96 7.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.731 HG21 HG22 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -117.27 157.05 18.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.579 ' O ' ' CG ' ' A' ' 36' ' ' TRP . 0.0 OUTLIER -96.57 175.86 6.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.32 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.603 ' CE2' HG22 ' A' ' 34' ' ' VAL . 2.0 m95 -163.64 178.77 7.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.584 1.178 . . . . 0.0 107.996 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -123.89 161.24 25.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.79 -55.33 4.38 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.467 1.105 . . . . 0.0 111.052 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.635 ' CD2' ' O ' ' A' ' 40' ' ' ASP . 2.7 p90 -73.33 155.6 39.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 0.784 . . . . 0.0 110.971 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.635 ' O ' ' CD2' ' A' ' 39' ' ' TYR . 0.7 OUTLIER -59.75 144.99 46.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.2 t -67.25 -28.64 68.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.004 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -87.08 28.22 0.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.248 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 44' ' ' ASP . 0.2 OUTLIER -128.66 13.02 6.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.363 179.93 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.519 ' HB2' HD11 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -37.48 154.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.94 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -132.99 160.06 38.21 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.434 1.084 . . . . 0.0 110.37 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.602 ' CE3' ' OE2' ' A' ' 31' ' ' GLU . 62.2 m95 -112.76 109.3 18.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 108.027 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -102.2 137.68 19.52 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.329 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.532 ' HG2' ' CD2' ' A' ' 51' ' ' HIS . 18.2 Cg_endo -75.01 143.44 29.03 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.509 1.794 . . . . 0.0 111.005 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.32 -36.34 6.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 110.329 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.42 ' O ' HG23 ' A' ' 53' ' ' VAL . 6.1 tt0 -60.25 -32.81 71.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.239 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.532 ' CD2' ' HG2' ' A' ' 48' ' ' PRO . 26.1 m170 -79.39 -34.25 42.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.63 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.664 HD22 HG21 ' A' ' 16' ' ' VAL . 20.7 mt -80.78 68.33 6.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 50' ' ' GLN . 69.0 t -84.39 136.28 23.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.357 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 69.38 8.56 6.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.351 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 16.2 m -109.48 18.59 20.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 108.334 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -52.46 -46.39 66.48 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.144 . . . . 0.0 110.327 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -41.17 -69.18 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.301 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -41.86 -59.44 1.7 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 111.008 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.687 HG23 ' CE1' ' A' ' 32' ' ' TYR . 31.1 mt -52.4 -51.45 32.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.575 1.172 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -51.44 -62.5 1.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.59 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -50.99 -50.61 58.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.379 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.573 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 8.7 t80 -54.56 -40.0 68.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.99 -48.04 80.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.7 mmt85 -57.27 -57.51 12.29 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.446 1.092 . . . . 0.0 110.322 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.4 mmm180 -51.64 -45.28 63.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.409 1.068 . . . . 0.0 110.267 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 5.2 t-80 -66.09 -66.22 0.58 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.586 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 97.9 m -144.34 134.08 23.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 110.41 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -96.21 -56.07 2.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 110.332 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.434 ' HA ' ' CE ' ' A' ' 69' ' ' LYS . 0.3 OUTLIER -89.69 145.57 25.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 109.353 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -179.15 71.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.165 . . . . 0.0 110.286 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.15 137.08 0.67 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -150.95 104.89 3.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.265 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 74.2 m -170.6 148.49 3.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 109.949 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -170.52 144.27 8.29 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.581 1.175 . . . . 0.0 110.969 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 58.24 4.76 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.508 1.794 . . . . 0.0 111.032 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.46 136.03 0.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 110.052 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 89.1 p -140.04 121.63 15.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 110.011 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.537 1.148 . . . . 0.0 111.039 -179.939 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 m 55.0 96.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.432 0.725 . . . . 0.0 109.973 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.7 t -171.36 121.98 0.53 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.028 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.68 118.23 1.14 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.5 1.125 . . . . 0.0 110.963 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 174.44 151.27 0.1 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.545 0.791 . . . . 0.0 109.97 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.6 p -161.87 168.2 23.41 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.458 1.099 . . . . 0.0 109.995 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.69 145.95 7.87 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.555 1.159 . . . . 0.0 110.981 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.9 mtm 178.26 87.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.425 0.72 . . . . 0.0 111.003 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -175.56 121.45 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.573 1.171 . . . . 0.0 109.295 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 169.2 -171.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.173 . . . . 0.0 110.0 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -132.75 113.97 13.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.252 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -108.07 176.86 4.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.339 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.08 -51.47 38.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -146.81 -166.85 2.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 111.052 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -129.76 143.76 50.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.27 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.637 HG21 ' CD2' ' A' ' 52' ' ' LEU . 3.9 t -72.36 116.28 14.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.342 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -70.68 -52.62 19.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.335 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.407 ' O ' ' HA ' ' A' ' 34' ' ' VAL . 10.1 ptm180 177.54 169.36 0.64 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.284 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.557 ' HB ' ' CD1' ' A' ' 62' ' ' PHE . 4.6 mm -97.58 129.31 47.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.67 ' HB ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -108.16 -22.7 4.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 109.258 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.553 ' HB3' ' CH2' ' A' ' 46' ' ' TRP . 15.3 t0 -161.05 171.77 18.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.56 ' HG3' ' CD1' ' A' ' 32' ' ' TYR . 2.5 tttm -156.05 139.52 15.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.425 ' N ' ' HG2' ' A' ' 22' ' ' LYS . 0.2 OUTLIER -156.8 174.7 15.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.378 1.049 . . . . 0.0 110.344 179.902 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 0.6 OUTLIER -118.69 157.18 27.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.454 ' ND2' ' OE2' ' A' ' 31' ' ' GLU . 28.9 m-20 -95.11 170.1 9.64 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.558 1.162 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.01 -33.0 64.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.67 -33.32 72.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.138 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 111.37 19.2 7.64 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.483 1.114 . . . . 0.0 110.956 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -84.37 135.81 34.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.556 0.798 . . . . 0.0 109.289 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.442 HG23 ' HE2' ' A' ' 22' ' ' LYS . 51.4 m -76.95 122.11 24.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.095 . . . . 0.0 110.359 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.454 ' OE2' ' ND2' ' A' ' 25' ' ' ASN . 2.2 mp0 -120.63 124.88 46.32 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.514 1.134 . . . . 0.0 110.298 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.56 ' CD1' ' HG3' ' A' ' 22' ' ' LYS . 54.0 m-85 -109.55 126.37 53.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.991 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.67 HD23 ' HB ' ' A' ' 20' ' ' VAL . 4.4 tp -73.48 113.17 10.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.626 HG22 ' CE2' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -125.34 147.55 30.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.341 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.553 ' C ' ' CG ' ' A' ' 36' ' ' TRP . 10.5 mtm180 -90.84 175.38 7.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.262 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.626 ' CE2' HG22 ' A' ' 34' ' ' VAL . 1.9 m95 -162.7 164.51 26.41 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.28 144.69 37.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.94 -38.57 3.17 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -89.05 114.1 25.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 0.776 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.417 ' N ' ' HB2' ' A' ' 43' ' ' ASP . 57.3 m-20 -51.34 178.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.404 ' O ' ' CG ' ' A' ' 44' ' ' ASP . 5.0 t -67.33 -34.08 76.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.049 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.54 6.83 39.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.417 ' HB2' ' N ' ' A' ' 40' ' ' ASP . 0.7 OUTLIER -107.62 -8.24 16.21 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.404 ' CG ' ' O ' ' A' ' 41' ' ' SER . 10.7 m-20 -40.06 156.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.586 1.179 . . . . 0.0 109.294 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 69.8 p -122.38 162.31 21.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.418 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.553 ' CH2' ' HB3' ' A' ' 21' ' ' ASP . 68.7 m95 -106.94 101.34 10.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.629 1.206 . . . . 0.0 108.02 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -94.58 149.23 36.21 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 0.0 110.356 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.509 ' HG2' ' CG ' ' A' ' 51' ' ' HIS . 18.2 Cg_endo -74.98 159.67 41.14 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.542 1.811 . . . . 0.0 110.98 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -73.58 -27.62 61.41 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 110.238 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -72.68 -24.75 61.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 110.369 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.509 ' CG ' ' HG2' ' A' ' 48' ' ' PRO . 10.0 m170 -85.79 -28.62 24.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.553 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.637 ' CD2' HG21 ' A' ' 16' ' ' VAL . 45.3 mt -78.56 63.66 3.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 52.8 t -88.48 141.23 14.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.359 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 64.3 13.2 7.8 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 87.0 m -123.68 8.26 8.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 108.323 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.595 ' HA ' HD12 ' A' ' 59' ' ' ILE . 1.3 mt-10 -54.62 -28.56 47.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.31 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -44.61 -67.46 0.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.265 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -49.41 -53.32 23.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.563 1.164 . . . . 0.0 110.941 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.595 HD12 ' HA ' ' A' ' 56' ' ' GLU . 21.1 mt -48.18 -45.84 13.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -59.55 -45.74 90.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.66 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -63.08 -36.25 82.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.285 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.557 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 61.3 t80 -72.18 -26.38 62.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.973 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -88.69 -30.99 18.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.248 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.436 ' HG3' ' N ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -85.07 -26.97 26.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.264 -179.909 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.436 ' N ' ' HG3' ' A' ' 64' ' ' ARG . 3.1 mmm180 -55.87 -47.1 77.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.277 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -76.54 -65.03 0.98 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.556 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 12.2 m -96.82 119.45 35.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 110.419 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -55.04 142.29 30.94 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.569 1.168 . . . . 0.0 110.303 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -165.24 -59.45 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.408 1.067 . . . . 0.0 109.278 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 70.72 -63.91 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.348 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.69 144.49 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 109.344 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 60.12 103.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 82.6 p -50.05 142.34 9.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.008 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -85.72 158.79 32.53 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.518 1.136 . . . . 0.0 111.021 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 173.66 14.14 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.476 1.777 . . . . 0.0 110.944 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 14.5 t -141.83 -58.3 0.47 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.977 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 79.2 p -42.91 119.65 1.55 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.96 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.523 1.14 . . . . 0.0 111.038 -179.977 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.42 -58.49 0.26 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.566 0.803 . . . . 0.0 109.996 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.8 m -143.12 -58.59 0.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.015 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.02 80.97 0.13 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.56 1.162 . . . . 0.0 111.023 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.88 155.98 30.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 0.747 . . . . 0.0 109.962 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 m -110.54 150.73 28.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.153 . . . . 0.0 109.935 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.0 147.0 9.16 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.498 1.124 . . . . 0.0 111.029 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.04 55.93 1.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 0.744 . . . . 0.0 111.051 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -166.53 147.1 6.11 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 99.3 p -132.65 89.66 2.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.578 1.174 . . . . 0.0 110.055 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -173.18 89.99 0.08 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.547 1.155 . . . . 0.0 110.315 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -115.62 175.83 5.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.575 1.172 . . . . 0.0 110.229 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.592 ' O ' ' CD1' ' A' ' 14' ' ' TYR . 0.1 OUTLIER -59.7 -60.89 3.12 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.592 ' CD1' ' O ' ' A' ' 13' ' ' LEU . 22.3 m-85 -162.73 136.47 6.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -127.96 140.77 51.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.34 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.63 HG22 HG21 ' A' ' 34' ' ' VAL . 16.7 t -55.28 126.07 11.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.576 1.173 . . . . 0.0 109.272 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -85.55 -48.7 8.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 110.287 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.422 ' O ' ' HA ' ' A' ' 34' ' ' VAL . 7.2 ptm180 177.65 164.27 0.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.362 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.572 ' HB ' ' CD1' ' A' ' 62' ' ' PHE . 4.1 mm -93.52 127.68 45.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.577 1.173 . . . . 0.0 109.328 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.611 ' HB ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -104.89 -15.58 8.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.556 1.16 . . . . 0.0 109.321 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.45 ' N ' ' HB3' ' A' ' 33' ' ' LEU . 17.9 t0 -173.44 179.52 2.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.576 ' HG3' ' CD2' ' A' ' 32' ' ' TYR . 0.7 OUTLIER -172.27 131.7 0.62 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.236 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.4 ptp85 -150.94 179.85 7.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 110.289 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.447 ' CG ' ' HA2' ' A' ' 28' ' ' GLY . 19.1 ttpt -108.74 151.66 25.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.234 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -90.04 -179.9 5.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.06 -44.57 95.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.84 -29.23 70.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.349 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.447 ' HA2' ' CG ' ' A' ' 24' ' ' LYS . . . 111.57 24.12 5.42 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.487 1.117 . . . . 0.0 111.03 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.85 138.61 31.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 0.776 . . . . 0.0 109.358 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.488 HG22 ' CE1' ' A' ' 32' ' ' TYR . 16.0 m -84.09 123.53 30.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.125 . . . . 0.0 110.373 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -123.96 129.02 50.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 110.29 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.759 ' CE2' HG23 ' A' ' 59' ' ' ILE . 71.4 m-85 -109.83 130.92 55.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.762 HD13 ' CE2' ' A' ' 46' ' ' TRP . 20.2 tp -75.27 107.82 7.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.645 HG22 ' CE2' ' A' ' 36' ' ' TRP . 0.2 OUTLIER -123.84 140.12 48.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.543 1.152 . . . . 0.0 109.319 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.523 ' C ' ' CG ' ' A' ' 36' ' ' TRP . 7.2 mmm180 -85.72 173.91 9.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.275 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.645 ' CE2' HG22 ' A' ' 34' ' ' VAL . 2.4 m95 -161.13 160.06 29.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 108.021 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.8 pttt -67.86 146.81 53.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.36 -43.08 3.17 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.485 1.116 . . . . 0.0 110.957 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -82.8 117.27 22.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 110.99 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -57.9 -167.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.0 t -75.33 -36.98 60.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.981 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -86.94 -3.92 59.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.57 1.169 . . . . 0.0 110.328 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.32 -14.67 25.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 109.266 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -40.7 159.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.115 . . . . 0.0 109.257 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.45 ' OG1' ' N ' ' A' ' 46' ' ' TRP . 0.8 OUTLIER -129.92 173.76 10.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.406 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.762 ' CE2' HD13 ' A' ' 33' ' ' LEU . 83.9 m95 -111.87 123.64 50.67 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.915 -1.142 . . . . 0.0 107.915 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -118.89 139.14 26.85 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 110.335 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.479 ' HA ' ' O ' ' A' ' 30' ' ' THR . 18.2 Cg_endo -74.99 134.79 18.26 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.448 1.762 . . . . 0.0 110.959 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -39.6 -46.89 1.87 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -49.66 -44.48 47.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.272 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.47 ' CG ' ' HG2' ' A' ' 48' ' ' PRO . 24.8 m170 -74.05 -22.17 59.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.57 1.169 . . . . 0.0 109.641 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.535 HD21 HG11 ' A' ' 34' ' ' VAL . 22.7 mt -91.6 66.49 5.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.085 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.9 m -79.11 143.46 12.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.242 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 63.12 16.28 9.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.417 ' O ' ' C ' ' A' ' 56' ' ' GLU . 5.0 t -100.73 -14.83 17.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 108.344 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 55' ' ' CYS . 10.4 mt-10 -36.78 -43.77 0.45 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 110.337 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -47.86 -56.72 6.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 110.273 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -61.21 -54.62 41.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.57 1.169 . . . . 0.0 111.035 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.759 HG23 ' CE2' ' A' ' 32' ' ' TYR . 12.9 mt -50.48 -54.5 8.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.593 1.183 . . . . 0.0 109.252 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -43.73 -62.86 0.97 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.593 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -51.75 -52.3 49.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.572 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 9.4 t80 -53.12 -40.24 64.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 110.975 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.6 -34.68 78.83 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -70.35 -59.62 2.75 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.53 1.144 . . . . 0.0 110.301 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.75 -52.92 45.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 56.0 t60 -52.88 -63.76 1.04 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 0.0 109.579 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 12.8 m -57.77 122.08 11.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.402 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 59.33 166.82 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.432 1.082 . . . . 0.0 110.342 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 17.2 mmtt 66.25 105.2 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.573 1.17 . . . . 0.0 109.331 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 54.81 77.14 0.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.42 1.075 . . . . 0.0 110.275 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.7 ttpt -174.81 -66.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 66.32 123.58 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -141.55 79.99 1.71 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.011 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.63 -165.05 45.71 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.455 1.097 . . . . 0.0 110.988 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 167.83 26.19 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.474 1.776 . . . . 0.0 110.996 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.3 m -126.42 125.05 41.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 110.002 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.5 t -125.45 120.0 29.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.996 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.449 1.093 . . . . 0.0 111.012 -179.993 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.067 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.6 p -122.07 -58.58 1.71 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 0.803 . . . . 0.0 110.009 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.2 t 55.71 94.03 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.417 1.073 . . . . 0.0 109.96 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.4 172.03 40.84 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.47 1.106 . . . . 0.0 111.027 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.26 166.37 12.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 0.771 . . . . 0.0 109.98 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.5 t -46.25 -58.85 3.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.951 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.42 -93.9 0.38 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.44 1.088 . . . . 0.0 111.024 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 12.6 mtm -145.26 164.4 31.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 0.792 . . . . 0.0 111.033 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -102.07 135.24 43.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.094 . . . . 0.0 109.263 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.8 m -68.89 161.86 27.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 110.014 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -107.81 86.87 2.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 110.328 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -92.4 170.15 10.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 110.236 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.402 ' O ' ' CD1' ' A' ' 14' ' ' TYR . 0.1 OUTLIER -74.1 -50.24 20.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.402 ' CD1' ' O ' ' A' ' 13' ' ' LEU . 4.4 m-85 -149.61 -166.99 2.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 111.051 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -100.8 130.04 46.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.817 HG22 ' CH2' ' A' ' 36' ' ' TRP . 11.2 t -61.59 122.77 13.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.414 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 11.5 tt0 -77.94 -49.85 13.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.414 ' HB3' ' O ' ' A' ' 17' ' ' GLU . 14.8 ptp180 177.68 167.26 0.68 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.107 . . . . 0.0 110.29 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.622 HD12 ' HB3' ' A' ' 32' ' ' TYR . 4.6 mm -96.12 128.19 47.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.421 1.076 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.612 ' HB ' HD23 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -104.38 -14.52 8.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.567 ' HB3' ' CH2' ' A' ' 46' ' ' TRP . 3.7 t0 -169.35 167.79 9.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.574 ' HG3' ' CD1' ' A' ' 32' ' ' TYR . 1.9 tttm -155.63 138.3 15.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.415 ' N ' ' HG2' ' A' ' 22' ' ' LYS . 0.7 OUTLIER -157.1 174.73 15.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 110.215 -179.918 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -106.97 152.97 23.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -83.83 177.13 8.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.331 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.68 -37.26 79.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.118 . . . . 0.0 109.287 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -70.39 -36.16 73.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 122.08 38.23 0.61 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -105.18 139.53 39.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.571 0.807 . . . . 0.0 109.248 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.466 ' O ' ' HA ' ' A' ' 48' ' ' PRO . 17.7 m -79.15 121.55 25.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.385 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -113.73 145.04 41.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.293 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.622 ' HB3' HD12 ' A' ' 19' ' ' ILE . 39.9 m-85 -130.38 113.2 14.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 111.016 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.612 HD23 ' HB ' ' A' ' 20' ' ' VAL . 3.4 tp -67.93 116.22 8.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.58 1.175 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.626 HG22 ' CE2' ' A' ' 36' ' ' TRP . 0.2 OUTLIER -122.43 123.21 68.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.445 ' CD ' ' O ' ' A' ' 35' ' ' ARG . 0.1 OUTLIER -84.68 119.29 25.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.817 ' CH2' HG22 ' A' ' 16' ' ' VAL . 0.7 OUTLIER -108.83 175.61 5.4 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.45 161.14 28.9 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.574 1.171 . . . . 0.0 109.334 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.4 -51.5 3.95 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.503 1.127 . . . . 0.0 110.986 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -71.79 120.93 18.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 0.756 . . . . 0.0 111.039 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.419 ' N ' ' HB2' ' A' ' 43' ' ' ASP . 2.9 m-20 -50.84 -179.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.204 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.56 -47.53 72.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 109.943 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -89.52 20.55 3.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 110.24 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.419 ' HB2' ' N ' ' A' ' 40' ' ' ASP . 0.4 OUTLIER -110.6 -20.94 12.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.568 1.168 . . . . 0.0 109.246 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -40.03 153.47 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.564 1.165 . . . . 0.0 109.292 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 22.0 p -110.93 179.33 4.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.439 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.567 ' CH2' ' HB3' ' A' ' 21' ' ' ASP . 65.0 m95 -118.2 116.99 27.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 108.011 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.424 ' OE1' ' CZ2' ' A' ' 36' ' ' TRP . 5.8 mt-10 -114.13 134.1 22.26 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 110.24 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.505 ' HG2' ' CG ' ' A' ' 51' ' ' HIS . 18.4 Cg_endo -74.98 143.67 29.41 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.542 1.811 . . . . 0.0 111.042 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.451 ' HG2' HD13 ' A' ' 59' ' ' ILE . 0.1 OUTLIER -45.6 -49.58 13.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 110.29 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -50.69 -25.81 4.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 110.32 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.505 ' CG ' ' HG2' ' A' ' 48' ' ' PRO . 0.7 OUTLIER -89.99 -31.05 17.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.551 1.157 . . . . 0.0 109.622 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.786 HD22 HG21 ' A' ' 16' ' ' VAL . 57.2 mt -81.92 54.71 2.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.348 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.1 m -69.17 145.74 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.332 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 57.53 19.07 5.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 84.9 m -123.91 10.44 8.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 108.316 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -53.64 -35.97 61.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -45.53 -67.36 0.29 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.326 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -47.04 -59.37 3.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 110.994 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.572 HG23 ' CE1' ' A' ' 32' ' ' TYR . 16.8 mt -45.97 -47.67 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -57.53 -46.44 83.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.38 1.05 . . . . 0.0 109.593 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -61.6 -51.92 66.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.567 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 7.3 t80 -54.3 -39.79 67.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.429 1.081 . . . . 0.0 110.934 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.33 -51.99 67.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.338 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.0 mmt85 -55.84 -55.4 32.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 0.0 110.239 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.1 mmm180 -51.75 -53.48 39.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 62.2 t-80 -56.01 -65.73 0.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.526 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 57.0 m -56.46 157.04 5.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 110.402 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -80.82 129.76 34.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.296 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.86 154.21 1.48 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.538 1.149 . . . . 0.0 109.253 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 10.4 mp0 -39.2 -60.23 0.92 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.137 . . . . 0.0 110.302 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 40.84 77.57 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 0.0 109.28 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -150.87 109.88 3.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.318 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 46.9 t -163.2 84.66 0.5 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 109.981 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 53.08 -163.01 2.36 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.578 1.174 . . . . 0.0 111.041 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.9 135.04 18.75 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.515 1.798 . . . . 0.0 111.027 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.49 -58.57 2.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.987 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.2 t -169.59 142.8 2.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.581 1.176 . . . . 0.0 109.947 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 -179.986 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.0 p -77.11 106.75 9.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 0.733 . . . . 0.0 110.002 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.7 m -98.21 153.5 18.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.049 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.06 70.57 0.19 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.495 1.122 . . . . 0.0 110.969 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.7 m -148.98 154.59 39.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 0.743 . . . . 0.0 110.027 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.7 p -71.17 164.38 25.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.025 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.83 167.25 14.44 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.514 1.134 . . . . 0.0 110.971 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.5 ttt -157.13 143.75 18.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 0.779 . . . . 0.0 110.974 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 61.92 96.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.16 -45.91 0.78 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.386 1.054 . . . . 0.0 110.038 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 52.22 88.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.292 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -90.41 170.24 10.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.31 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.31 -51.18 39.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -146.7 -166.69 2.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 111.047 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -122.44 128.64 51.14 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.512 1.133 . . . . 0.0 110.304 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.902 HG22 HG21 ' A' ' 34' ' ' VAL . 4.4 t -50.87 121.02 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -76.93 -49.39 15.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.441 ' O ' ' HA ' ' A' ' 34' ' ' VAL . 14.3 ptp180 178.35 164.45 0.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.255 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.571 ' HB ' ' CD1' ' A' ' 62' ' ' PHE . 4.9 mm -92.33 127.79 44.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.125 . . . . 0.0 109.247 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.622 ' HB ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -104.57 -18.21 6.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.452 ' N ' ' HB3' ' A' ' 33' ' ' LEU . 25.0 t0 -169.92 177.17 4.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.431 1.082 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.582 ' HG3' ' CE1' ' A' ' 32' ' ' TYR . 0.3 OUTLIER -163.78 137.69 5.68 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.435 1.084 . . . . 0.0 109.29 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.409 ' N ' ' HG2' ' A' ' 22' ' ' LYS . 7.8 mtt180 -158.84 -179.51 8.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.312 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.2 ttmt -119.03 158.8 25.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.575 1.172 . . . . 0.0 109.355 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.1 m-20 -95.62 179.18 5.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.261 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -36.06 79.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.604 1.19 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.31 -34.55 76.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 115.31 13.87 8.69 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.8 mmmt -78.31 134.74 37.45 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.472 0.748 . . . . 0.0 109.281 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.522 HG22 ' CE2' ' A' ' 32' ' ' TYR . 5.8 m -78.96 129.34 34.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 110.38 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.1 mp0 -126.3 140.01 52.86 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.435 1.084 . . . . 0.0 110.32 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.72 ' CE1' HG23 ' A' ' 59' ' ' ILE . 72.9 m-85 -124.08 127.43 47.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.622 HD23 ' HB ' ' A' ' 20' ' ' VAL . 17.4 tp -73.14 109.11 6.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.343 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.902 HG21 HG22 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -121.35 144.36 30.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.145 . . . . 0.0 109.334 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.575 ' O ' ' CD2' ' A' ' 36' ' ' TRP . 0.0 OUTLIER -85.21 176.74 8.17 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 0.0 110.258 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.623 ' CE2' HG22 ' A' ' 34' ' ' VAL . 3.9 m95 -162.09 156.82 22.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 108.048 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -94.15 142.52 27.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.164 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 110.69 -56.16 0.47 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.451 1.095 . . . . 0.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.619 ' CE2' ' O ' ' A' ' 40' ' ' ASP . 0.5 OUTLIER -86.49 172.48 10.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.405 0.709 . . . . 0.0 110.996 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.619 ' O ' ' CE2' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -105.52 134.11 49.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.403 1.064 . . . . 0.0 109.272 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 40' ' ' ASP . 11.0 t -38.62 -31.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.375 1.047 . . . . 0.0 110.011 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 40' ' ' ASP . 9.2 mt-10 -49.87 -30.18 9.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.271 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.83 42.38 1.42 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.566 1.166 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.506 ' HB2' HD11 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -46.65 171.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.215 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.454 ' OG1' ' NE1' ' A' ' 36' ' ' TRP . 6.7 p -141.75 132.55 25.77 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.514 1.134 . . . . 0.0 110.35 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 89.9 m95 -97.23 88.27 4.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.566 1.166 . . . . 0.0 108.036 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -85.58 135.27 38.55 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 110.283 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.488 ' HG2' ' CG ' ' A' ' 51' ' ' HIS . 18.2 Cg_endo -75.0 138.51 23.12 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.464 1.77 . . . . 0.0 110.945 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.416 ' HG3' ' CE2' ' A' ' 32' ' ' TYR . 0.3 OUTLIER -39.63 -47.02 1.91 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -49.13 -45.52 43.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.263 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.488 ' CG ' ' HG2' ' A' ' 48' ' ' PRO . 25.9 m170 -72.94 -22.87 60.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 109.579 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.492 HD22 HG21 ' A' ' 16' ' ' VAL . 21.0 mt -91.85 70.38 5.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.481 HG12 ' CG ' ' A' ' 54' ' ' ASN . 84.5 t -80.13 143.05 13.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.481 ' CG ' HG12 ' A' ' 53' ' ' VAL . 5.1 m120 62.79 14.86 7.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.402 ' O ' ' C ' ' A' ' 56' ' ' GLU . 6.7 t -95.42 -14.43 23.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 108.234 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 55' ' ' CYS . 0.9 OUTLIER -37.7 -46.97 0.94 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -45.83 -54.32 8.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.33 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -63.76 -57.65 9.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 0.0 110.975 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.72 HG23 ' CE1' ' A' ' 32' ' ' TYR . 9.3 mt -48.26 -46.45 13.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.427 1.08 . . . . 0.0 109.294 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 9.2 m80 -51.48 -62.88 1.35 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.565 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -51.99 -46.29 64.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.571 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 18.9 t80 -58.85 -39.47 81.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.569 1.168 . . . . 0.0 110.959 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -61.23 -40.34 93.65 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -56.93 -54.1 50.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.25 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.0 mmm180 -50.58 -58.58 5.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.312 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -47.62 -65.65 0.53 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.156 . . . . 0.0 109.576 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 53.4 m -60.26 165.45 3.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.591 1.182 . . . . 0.0 110.366 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -113.78 105.95 13.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.366 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -116.35 -57.87 2.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 71.86 -59.31 0.56 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.263 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -40.65 124.41 2.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 109.35 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -151.75 161.15 43.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.352 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 59.6 p -136.59 140.66 43.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.107 . . . . 0.0 109.998 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -101.99 124.28 8.15 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 178.27 7.5 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.484 1.781 . . . . 0.0 110.995 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.42 143.72 50.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.109 . . . . 0.0 110.029 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -157.2 150.52 23.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 1.08 . . . . 0.0 109.975 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.504 1.127 . . . . 0.0 110.982 -179.996 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.559 HG22 ' CH2' ' A' ' 36' ' ' TRP . 6.0 t -56.48 120.7 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.401 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 9.1 tt0 -80.43 -51.4 8.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.272 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.405 ' O ' ' HA ' ' A' ' 34' ' ' VAL . 10.0 ptm180 177.4 168.39 0.62 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.575 ' HB ' ' CD1' ' A' ' 62' ' ' PHE . 3.8 mm -97.55 132.61 41.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.137 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.708 ' HB ' HD23 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -112.71 -15.03 10.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -168.26 169.99 10.41 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.458 1.099 . . . . 0.0 109.296 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.581 ' HG3' ' CD1' ' A' ' 32' ' ' TYR . 0.6 OUTLIER -161.6 137.51 7.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.297 -179.932 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.412 ' N ' ' HG2' ' A' ' 22' ' ' LYS . 1.6 ttt180 -159.47 174.62 14.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.288 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 4.3 ttpt -105.15 149.99 25.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.41 1.069 . . . . 0.0 109.318 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.405 ' O ' ' N ' ' A' ' 28' ' ' GLY . 5.1 m-20 -85.73 156.54 20.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.51 -21.14 5.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.273 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -79.71 -31.17 41.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.547 1.155 . . . . 0.0 109.327 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 25' ' ' ASN . . . 114.44 21.9 5.33 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.472 1.107 . . . . 0.0 110.992 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 24' ' ' LYS . 52.3 mmtt -100.44 139.99 35.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 0.778 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.465 HG22 ' CE2' ' A' ' 32' ' ' TYR . 3.8 m -81.56 124.87 29.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 110.389 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -122.38 132.77 54.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.342 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.656 ' CE1' HG23 ' A' ' 59' ' ' ILE . 71.2 m-85 -113.39 129.56 56.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 111.016 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.708 HD23 ' HB ' ' A' ' 20' ' ' VAL . 7.0 tp -75.83 109.62 9.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.627 HG22 ' CE2' ' A' ' 36' ' ' TRP . 0.2 OUTLIER -124.81 144.48 34.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.55 ' O ' ' CG ' ' A' ' 36' ' ' TRP . 0.2 OUTLIER -88.17 172.87 9.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.219 -179.916 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.627 ' CE2' HG22 ' A' ' 34' ' ' VAL . 2.2 m95 -162.04 159.26 26.1 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.4 mttm -61.91 140.96 58.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.59 -38.87 3.16 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.499 1.124 . . . . 0.0 111.045 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -82.11 112.78 19.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 0.762 . . . . 0.0 111.055 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.419 ' N ' ' HB2' ' A' ' 43' ' ' ASP . 83.2 m-20 -61.04 179.87 0.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.297 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.6 p -61.21 -41.59 97.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.047 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -88.22 10.46 19.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.232 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.419 ' HB2' ' N ' ' A' ' 40' ' ' ASP . 0.8 OUTLIER -108.77 -14.62 14.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.413 ' N ' ' OD1' ' A' ' 44' ' ' ASP . 0.9 OUTLIER -40.35 148.11 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 109.248 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 30.1 p -113.86 178.66 4.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.425 1.078 . . . . 0.0 110.39 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.43 ' NE1' HD13 ' A' ' 33' ' ' LEU . 62.4 m95 -118.19 120.21 37.01 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -118.48 137.71 25.03 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.279 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.467 ' HG2' ' CD2' ' A' ' 51' ' ' HIS . 18.2 Cg_endo -75.01 136.26 20.14 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.49 1.784 . . . . 0.0 111.032 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -40.08 -30.6 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 110.315 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.524 ' O ' HG23 ' A' ' 53' ' ' VAL . 7.4 tt0 -60.37 -48.75 80.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 110.365 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.467 ' CD2' ' HG2' ' A' ' 48' ' ' PRO . 17.6 m170 -68.6 -25.16 64.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.617 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.485 HD21 HG11 ' A' ' 34' ' ' VAL . 19.8 mt -85.53 71.87 10.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 50' ' ' GLN . 72.2 t -90.37 132.27 35.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 70.49 21.94 5.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.586 1.179 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 82.5 m -115.15 0.12 13.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 108.269 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -39.58 -47.4 1.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.234 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -42.17 -68.38 0.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.285 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -45.3 -61.83 1.5 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 111.004 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.656 HG23 ' CE1' ' A' ' 32' ' ' TYR . 23.6 mt -47.44 -53.94 3.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.428 1.08 . . . . 0.0 109.341 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -47.44 -57.25 5.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.654 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -54.45 -49.51 69.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.592 1.183 . . . . 0.0 109.293 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.575 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 12.2 t80 -57.88 -40.13 79.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.96 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -63.29 -46.04 88.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.34 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.75 -48.25 63.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.281 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.3 mmm180 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.575 1.172 . . . . 0.0 110.344 179.985 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 110.299 -0.259 . . . . 0.0 110.299 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.455 HG22 HG21 ' A' ' 34' ' ' VAL . 6.4 t -51.54 119.97 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.223 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.415 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 18.8 tt0 -80.41 -52.13 8.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.266 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.415 ' HB3' ' O ' ' A' ' 17' ' ' GLU . 8.7 ptp180 177.24 167.12 0.59 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.458 1.099 . . . . 0.0 110.327 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.573 ' HB ' ' CD1' ' A' ' 62' ' ' PHE . 4.1 mm -95.54 131.89 41.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.719 ' HB ' HD23 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -111.67 -18.34 7.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.271 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.43 ' HB3' ' CH2' ' A' ' 46' ' ' TRP . 12.5 t0 -165.6 170.08 14.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.583 ' HG3' ' CD1' ' A' ' 32' ' ' TYR . 1.0 OUTLIER -158.57 139.21 12.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.431 ' N ' ' HG2' ' A' ' 22' ' ' LYS . 15.4 mtt85 -162.23 174.77 12.42 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.453 1.096 . . . . 0.0 110.339 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.9 ttpt -104.57 152.0 22.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 29' ' ' LYS . 1.5 m-20 -84.38 171.67 12.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -34.81 78.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.241 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.13 -30.71 67.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 114.41 29.61 2.67 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.486 1.117 . . . . 0.0 110.965 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 25' ' ' ASN . 0.1 OUTLIER -101.8 137.5 40.02 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.471 0.747 . . . . 0.0 109.309 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 17.5 m -80.18 122.19 26.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.429 1.081 . . . . 0.0 110.423 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -121.76 143.39 49.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.756 ' CE1' HG23 ' A' ' 59' ' ' ILE . 69.8 m-85 -120.8 129.14 53.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 111.005 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.719 HD23 ' HB ' ' A' ' 20' ' ' VAL . 7.2 tp -74.0 110.13 8.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.562 1.164 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.632 HG22 ' CE2' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -123.6 145.22 30.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 O-C-N 124.432 1.083 . . . . 0.0 109.318 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.545 ' C ' ' CG ' ' A' ' 36' ' ' TRP . 0.0 OUTLIER -88.67 175.43 7.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.423 1.077 . . . . 0.0 110.341 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.632 ' CE2' HG22 ' A' ' 34' ' ' VAL . 2.0 m95 -162.44 164.34 27.18 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.4 pttt -72.82 131.37 42.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.566 1.166 . . . . 0.0 109.357 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.77 -51.45 0.91 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.482 1.114 . . . . 0.0 110.95 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -64.5 112.91 3.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 0.747 . . . . 0.0 110.973 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.415 ' N ' ' HB2' ' A' ' 43' ' ' ASP . 0.4 OUTLIER -53.29 -176.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 t -66.97 -35.96 81.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 110.03 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -97.93 20.7 11.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.415 ' HB2' ' N ' ' A' ' 40' ' ' ASP . 0.4 OUTLIER -115.24 -8.59 12.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.907 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -41.09 157.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.232 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.442 ' OG1' ' NE1' ' A' ' 36' ' ' TRP . 63.8 p -122.57 162.83 21.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.423 1.077 . . . . 0.0 110.397 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.458 ' NE1' HD13 ' A' ' 33' ' ' LEU . 65.0 m95 -109.41 111.02 22.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 107.993 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -107.17 136.85 19.46 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.133 . . . . 0.0 110.305 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.44 ' O ' ' N ' ' A' ' 51' ' ' HIS . 18.2 Cg_endo -75.03 135.12 18.6 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.492 1.785 . . . . 0.0 110.978 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -39.94 -30.79 0.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.197 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.494 ' O ' HG23 ' A' ' 53' ' ' VAL . 6.6 tt0 -59.7 -48.76 80.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.44 ' N ' ' O ' ' A' ' 48' ' ' PRO . 19.4 m170 -70.39 -27.07 64.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.585 1.178 . . . . 0.0 109.578 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 20.9 mt -83.09 67.88 9.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.257 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 50' ' ' GLN . 79.1 t -84.91 142.11 13.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.323 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 60.13 16.1 5.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 73.7 m -111.05 6.82 21.18 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.553 1.158 . . . . 0.0 108.264 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -46.62 -46.66 19.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.425 1.078 . . . . 0.0 110.288 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -40.94 -68.25 0.19 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 110.255 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -43.59 -61.12 1.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 111.061 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.756 HG23 ' CE1' ' A' ' 32' ' ' TYR . 15.1 mt -49.61 -56.73 2.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -44.75 -59.22 2.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.416 1.073 . . . . 0.0 109.588 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -53.4 -51.41 62.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.351 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.573 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 8.8 t80 -54.9 -39.93 69.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 110.943 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -65.11 -47.45 77.11 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 -57.44 -63.91 1.07 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 110.272 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.2 mmt180 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.325 -180.0 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.708 HG22 HG21 ' A' ' 34' ' ' VAL . 2.8 t -69.62 114.99 7.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.269 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.443 ' OE2' ' NH2' ' A' ' 18' ' ' ARG . 10.7 tt0 -68.33 -53.52 23.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.443 ' NH2' ' OE2' ' A' ' 17' ' ' GLU . 9.1 ptp85 177.33 167.22 0.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.567 1.167 . . . . 0.0 110.265 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.571 ' HB ' ' CD1' ' A' ' 62' ' ' PHE . 3.7 mm -96.05 132.44 40.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 0.0 109.356 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.715 ' HB ' HD23 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -112.32 -17.52 8.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -165.15 169.42 16.12 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.459 1.099 . . . . 0.0 109.279 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.568 ' HG3' ' CE1' ' A' ' 32' ' ' TYR . 0.6 OUTLIER -166.98 134.68 2.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.08 174.08 16.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 110.303 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.17 151.41 21.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.108 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.412 ' N ' ' O ' ' A' ' 29' ' ' LYS . 27.2 m-20 -92.07 171.41 9.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.419 ' HG3' ' N ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -59.25 -32.6 70.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.245 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.419 ' N ' ' HG3' ' A' ' 26' ' ' LYS . 7.7 mttp -75.18 -16.38 60.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 109.342 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.32 12.77 40.91 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.477 1.111 . . . . 0.0 111.034 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.412 ' O ' ' N ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -82.61 139.88 33.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 0.801 . . . . 0.0 109.26 -179.918 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.451 ' O ' ' HA ' ' A' ' 48' ' ' PRO . 16.2 m -88.63 122.53 32.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 110.371 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -117.72 137.93 52.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.373 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.579 ' CE1' HG23 ' A' ' 59' ' ' ILE . 45.0 m-85 -116.9 126.23 52.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.715 HD23 ' HB ' ' A' ' 20' ' ' VAL . 7.7 tp -74.48 109.35 7.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.208 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.708 HG21 HG22 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -124.02 143.18 38.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.425 1.078 . . . . 0.0 109.312 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.549 ' O ' ' CG ' ' A' ' 36' ' ' TRP . 20.2 mmm-85 -86.91 175.7 8.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.333 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.631 ' CE2' HG22 ' A' ' 34' ' ' VAL . 2.5 m95 -162.4 155.37 19.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 108.032 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.4 mttm -65.54 141.95 58.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.33 -28.28 8.37 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.428 1.08 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -91.23 131.87 36.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 0.789 . . . . 0.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -70.02 -166.8 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.254 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.13 -43.25 43.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 110.007 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -88.33 14.61 9.15 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.526 1.141 . . . . 0.0 110.314 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.55 -13.28 14.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.09 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.406 ' N ' ' OD1' ' A' ' 44' ' ' ASP . 0.3 OUTLIER -40.68 152.19 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.448 ' OG1' ' NE1' ' A' ' 36' ' ' TRP . 82.5 p -115.46 169.81 8.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.442 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.537 ' NE1' HD13 ' A' ' 33' ' ' LEU . 49.2 m95 -113.31 121.97 46.01 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -118.3 134.89 23.37 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.279 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.451 ' HA ' ' O ' ' A' ' 30' ' ' THR . 18.2 Cg_endo -75.08 136.27 20.01 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.535 1.808 . . . . 0.0 110.987 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.421 ' HG2' HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -41.61 -36.53 0.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.325 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.575 ' O ' HG23 ' A' ' 53' ' ' VAL . 0.5 OUTLIER -57.76 -44.63 86.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.297 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.442 ' N ' ' O ' ' A' ' 48' ' ' PRO . 20.9 m170 -72.88 -30.58 64.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.6 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.634 ' CD2' HG21 ' A' ' 16' ' ' VAL . 20.0 mt -79.48 71.85 6.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.272 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 50' ' ' GLN . 54.2 t -94.47 141.53 14.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 66.72 10.91 7.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 19.8 m -120.82 19.91 11.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 108.321 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -59.55 -31.49 69.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.257 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -49.1 -65.45 0.56 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.286 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -48.52 -56.4 8.43 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.517 1.136 . . . . 0.0 111.037 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.579 HG23 ' CE1' ' A' ' 32' ' ' TYR . 52.3 mt -51.33 -51.72 22.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.44 1.087 . . . . 0.0 109.385 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -51.0 -53.83 29.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.566 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -56.05 -54.87 39.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.571 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 5.5 t80 -53.53 -45.48 69.82 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -57.31 -49.81 74.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.355 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.4 mmt180 -55.82 -54.91 38.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.303 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.5 mmm180 . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 110.243 -179.938 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.666 HG22 HG21 ' A' ' 34' ' ' VAL . 4.9 t -66.23 119.59 11.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.41 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 13.6 tt0 -75.84 -51.68 12.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 110.316 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.423 ' CZ ' ' HB3' ' A' ' 18' ' ' ARG . 3.7 ptp180 177.61 166.41 0.65 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 110.303 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.574 ' HB ' ' CD2' ' A' ' 62' ' ' PHE . 4.2 mm -95.46 132.24 40.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.286 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.732 ' HB ' HD23 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -112.37 -15.61 9.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.338 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -167.67 171.83 9.82 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.546 1.154 . . . . 0.0 109.352 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.572 ' HG3' ' CD1' ' A' ' 32' ' ' TYR . 0.8 OUTLIER -167.14 135.67 2.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.251 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.7 -179.68 6.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.263 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.8 ttpt -112.94 162.18 16.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.345 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -111.72 177.91 4.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.271 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.47 -28.05 58.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.0 mtmt -66.67 -40.95 88.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 107.23 17.53 11.42 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.538 1.149 . . . . 0.0 111.004 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.8 mmtp -95.82 139.07 32.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 0.798 . . . . 0.0 109.272 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.416 ' O ' ' HA ' ' A' ' 48' ' ' PRO . 19.0 m -74.77 126.13 30.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.407 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -120.91 142.99 49.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.348 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.663 ' CE1' HG23 ' A' ' 59' ' ' ILE . 51.4 m-85 -125.6 126.26 44.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.936 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.732 HD23 ' HB ' ' A' ' 20' ' ' VAL . 8.1 tp -74.45 110.36 8.68 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.496 1.122 . . . . 0.0 109.222 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.666 HG21 HG22 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -124.44 142.79 40.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 109.268 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.55 ' O ' ' CG ' ' A' ' 36' ' ' TRP . 9.9 mtt180 -85.25 175.63 8.82 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.441 1.088 . . . . 0.0 110.3 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.616 ' CE2' HG22 ' A' ' 34' ' ' VAL . 3.4 m95 -162.18 147.89 13.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.095 . . . . 0.0 108.049 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.5 pttt -68.74 154.22 42.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 109.298 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.84 -40.94 3.06 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.555 1.16 . . . . 0.0 111.014 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -82.22 149.77 27.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 0.748 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -75.08 -177.3 3.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.582 1.176 . . . . 0.0 109.337 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 85.1 p -70.79 -35.57 72.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 110.024 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -92.9 17.72 10.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.325 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -109.15 -12.49 14.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.23 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -40.27 144.5 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.589 1.181 . . . . 0.0 109.338 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 60.8 p -114.82 161.22 18.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 110.454 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.56 ' NE1' HD13 ' A' ' 33' ' ' LEU . 47.1 m95 -104.02 117.62 34.73 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -111.58 136.37 21.06 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.334 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.487 ' HG2' ' CG ' ' A' ' 51' ' ' HIS . 18.1 Cg_endo -75.11 136.57 20.35 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.518 1.799 . . . . 0.0 110.941 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.477 ' HG2' HD13 ' A' ' 59' ' ' ILE . 0.3 OUTLIER -40.79 -39.98 1.23 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.454 1.096 . . . . 0.0 110.325 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.668 ' O ' HG23 ' A' ' 53' ' ' VAL . 5.1 tt0 -55.14 -45.57 75.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.35 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.487 ' CG ' ' HG2' ' A' ' 48' ' ' PRO . 23.9 m170 -69.8 -34.88 74.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 0.0 109.636 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.547 ' CD2' HG21 ' A' ' 16' ' ' VAL . 18.0 mt -75.5 69.91 2.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.426 1.079 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 50' ' ' GLN . 83.3 t -95.08 137.9 22.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.38 1.05 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.504 ' CG ' HG12 ' A' ' 53' ' ' VAL . 3.4 m-80 71.95 6.3 5.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 42.9 m -122.16 13.77 10.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.426 1.079 . . . . 0.0 108.38 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.07 -26.15 59.9 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.441 1.088 . . . . 0.0 110.313 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -48.67 -67.36 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.391 1.057 . . . . 0.0 110.229 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -46.93 -54.31 10.33 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.663 HG23 ' CE1' ' A' ' 32' ' ' TYR . 65.3 mt -49.36 -57.25 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.413 1.071 . . . . 0.0 109.256 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -47.09 -51.98 16.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.612 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -59.39 -51.27 70.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.236 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.574 ' CD2' ' HB ' ' A' ' 19' ' ' ILE . 5.2 t80 -54.45 -42.48 70.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.13 . . . . 0.0 110.952 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -62.08 -50.69 70.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 109.276 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.8 mmt180 -57.68 -52.93 63.4 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.556 1.16 . . . . 0.0 110.339 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 . . . . . 0 C--N 1.326 -0.422 0 O-C-N 124.455 1.097 . . . . 0.0 110.296 179.967 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.571 HG21 HD22 ' A' ' 52' ' ' LEU . 5.2 t -57.8 121.4 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 109.257 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.407 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 9.7 tt0 -80.83 -50.81 9.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.262 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.407 ' HB3' ' O ' ' A' ' 17' ' ' GLU . 2.2 ptm85 177.49 169.3 0.63 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.305 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.578 ' HB ' ' CD1' ' A' ' 62' ' ' PHE . 3.9 mm -96.99 128.53 48.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.682 ' HB ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -107.41 -17.83 7.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.296 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.523 ' HB3' ' CH2' ' A' ' 46' ' ' TRP . 4.0 t0 -166.68 172.45 10.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.562 ' HD2' ' CE1' ' A' ' 32' ' ' TYR . 0.4 OUTLIER -162.27 138.12 7.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.564 ' HG2' ' CZ3' ' A' ' 46' ' ' TRP . 6.9 ptp180 -154.63 172.7 17.44 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 110.328 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.9 ttpt -109.26 150.46 27.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.362 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.419 ' ND2' ' HG3' ' A' ' 31' ' ' GLU . 4.9 m-20 -86.47 159.05 19.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -53.51 -32.4 50.25 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.418 ' N ' ' HG3' ' A' ' 26' ' ' LYS . 0.6 OUTLIER -70.5 -29.4 65.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.294 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 112.32 22.72 5.74 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.503 1.127 . . . . 0.0 110.96 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.9 mmtt -95.39 140.33 30.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.591 0.818 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.442 ' O ' ' HA ' ' A' ' 48' ' ' PRO . 24.4 m -80.31 135.25 36.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.457 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.419 ' HG3' ' ND2' ' A' ' 25' ' ' ASN . 1.5 mt-10 -132.15 125.43 31.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.421 1.076 . . . . 0.0 110.267 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.63 ' CE1' HG23 ' A' ' 59' ' ' ILE . 46.9 m-85 -110.73 123.72 50.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 110.933 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.682 HD23 ' HB ' ' A' ' 20' ' ' VAL . 4.7 tp -73.47 114.74 12.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.255 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.627 HG22 ' CE2' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -126.66 144.3 37.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.385 1.053 . . . . 0.0 109.33 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.512 ' C ' ' CG ' ' A' ' 36' ' ' TRP . 1.7 mtt180 -88.49 170.78 10.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.6 1.187 . . . . 0.0 110.259 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.627 ' CE2' HG22 ' A' ' 34' ' ' VAL . 1.6 m95 -160.09 166.13 30.44 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -73.81 141.79 46.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.602 1.189 . . . . 0.0 109.303 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.0 -41.43 2.91 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -80.08 113.26 18.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 0.783 . . . . 0.0 111.018 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.79 -171.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.69 -36.89 76.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.582 1.176 . . . . 0.0 110.043 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -92.63 4.13 54.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.276 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.99 -14.4 17.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -44.92 155.31 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.45 ' OG1' ' N ' ' A' ' 46' ' ' TRP . 1.1 t -121.74 174.13 7.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.374 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.58 ' NE1' HD13 ' A' ' 33' ' ' LEU . 42.5 m95 -114.98 133.96 55.59 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -126.74 138.92 33.53 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 110.312 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.502 ' HG2' ' CG ' ' A' ' 51' ' ' HIS . 18.0 Cg_endo -75.06 139.77 24.51 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.466 1.772 . . . . 0.0 110.975 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.483 ' HG2' HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -45.89 -52.92 10.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 110.293 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -51.27 -23.63 3.71 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.487 1.117 . . . . 0.0 110.331 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.502 ' CG ' ' HG2' ' A' ' 48' ' ' PRO . 6.6 m170 -92.51 -25.99 18.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 109.621 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.571 HD22 HG21 ' A' ' 16' ' ' VAL . 63.3 mt -83.82 53.08 2.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.373 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.401 ' H ' HG13 ' A' ' 53' ' ' VAL . 1.0 OUTLIER -69.99 145.23 13.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.152 . . . . 0.0 109.197 -179.923 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 60.78 15.68 6.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 42.1 m -123.92 3.99 8.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 108.332 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.8 -37.23 18.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.241 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -44.97 -68.66 0.18 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 110.27 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -45.23 -55.17 6.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.979 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.63 HG23 ' CE1' ' A' ' 32' ' ' TYR . 37.7 mt -50.89 -56.99 3.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -46.31 -52.83 11.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 109.519 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -58.08 -52.58 64.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.339 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.578 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 12.6 t80 -55.5 -38.79 69.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 111.046 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -64.13 -47.21 80.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.412 1.07 . . . . 0.0 109.298 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.93 -47.34 64.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.337 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.425 ' NH1' ' HB3' ' A' ' 65' ' ' ARG . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.312 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.653 HG22 HG21 ' A' ' 34' ' ' VAL . 8.6 t -53.84 121.39 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.169 . . . . 0.0 109.306 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.452 ' OE2' ' NH1' ' A' ' 18' ' ' ARG . 11.1 tt0 -76.45 -50.5 13.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 110.257 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.452 ' NH1' ' OE2' ' A' ' 17' ' ' GLU . 9.4 ptp85 177.71 165.22 0.65 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.49 1.119 . . . . 0.0 110.334 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.566 ' HB ' ' CD1' ' A' ' 62' ' ' PHE . 4.0 mm -94.48 129.83 44.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.765 ' HB ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -107.77 -14.04 9.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.462 ' N ' ' HB3' ' A' ' 33' ' ' LEU . 5.7 t70 -174.88 177.02 2.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.147 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.58 ' HG3' ' CD2' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -169.45 132.57 1.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.8 mtp180 -151.12 -179.15 7.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.282 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -104.72 148.28 26.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.252 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 29' ' ' LYS . 1.1 t-20 -81.77 173.28 12.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.75 -33.49 76.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -74.06 -28.13 61.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 114.41 21.8 5.38 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.427 1.08 . . . . 0.0 111.025 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 25' ' ' ASN . 15.3 mmtp -92.77 140.93 29.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 0.755 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 42.4 m -82.78 131.8 35.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.09 . . . . 0.0 110.398 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.3 mp0 -131.51 146.25 52.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.301 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.723 ' CE2' HG23 ' A' ' 59' ' ' ILE . 73.0 m-85 -125.61 131.87 52.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.765 HD23 ' HB ' ' A' ' 20' ' ' VAL . 17.9 tp -75.28 107.81 7.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.346 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.653 HG21 HG22 ' A' ' 16' ' ' VAL . 0.2 OUTLIER -125.14 139.99 49.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.259 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.546 ' O ' ' CG ' ' A' ' 36' ' ' TRP . 3.0 mtm-85 -86.66 175.0 8.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.242 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.638 ' CE2' HG22 ' A' ' 34' ' ' VAL . 2.1 m95 -162.26 160.06 26.38 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.1 mmtt -64.95 156.53 30.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.398 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.98 -51.55 4.1 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.527 1.142 . . . . 0.0 110.976 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -64.64 142.69 58.34 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.567 0.804 . . . . 0.0 110.961 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -71.33 -166.92 0.2 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 109.317 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 t -79.65 -44.74 20.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.996 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -89.63 12.71 16.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.43 1.082 . . . . 0.0 110.274 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -96.87 -12.98 22.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.364 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.47 ' OD2' HD21 ' A' ' 33' ' ' LEU . 12.7 p30 -40.09 142.45 0.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.345 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.688 ' O ' HD12 ' A' ' 33' ' ' LEU . 7.4 p -107.49 -176.01 2.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.113 . . . . 0.0 110.397 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.48 ' CE2' HD13 ' A' ' 33' ' ' LEU . 92.0 m95 -121.28 97.82 5.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.117 . . . . 0.0 108.044 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -95.79 136.79 22.06 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.462 1.101 . . . . 0.0 110.323 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.519 ' HG2' ' CG ' ' A' ' 51' ' ' HIS . 18.0 Cg_endo -75.07 135.72 19.32 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.479 1.778 . . . . 0.0 110.982 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.424 ' HG3' ' CE1' ' A' ' 32' ' ' TYR . 0.3 OUTLIER -38.86 -46.3 1.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -49.68 -46.55 50.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.57 1.169 . . . . 0.0 110.285 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.519 ' CG ' ' HG2' ' A' ' 48' ' ' PRO . 28.9 m170 -71.28 -24.28 62.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.085 . . . . 0.0 109.623 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.582 HD21 HG11 ' A' ' 34' ' ' VAL . 18.5 mt -89.5 67.99 7.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.509 HG12 ' CG ' ' A' ' 54' ' ' ASN . 82.9 t -78.03 141.67 15.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.509 ' CG ' HG12 ' A' ' 53' ' ' VAL . 4.1 m120 61.88 23.36 13.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.112 . . . . 0.0 109.252 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.416 ' O ' ' C ' ' A' ' 56' ' ' GLU . 8.0 t -104.74 -13.85 15.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 108.223 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 55' ' ' CYS . 3.0 mt-10 -37.18 -43.54 0.51 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 110.272 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -48.41 -60.18 2.88 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.503 1.127 . . . . 0.0 110.334 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -58.57 -55.55 33.63 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.457 1.098 . . . . 0.0 111.051 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.723 HG23 ' CE2' ' A' ' 32' ' ' TYR . 11.7 mt -49.88 -54.31 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -45.24 -57.93 3.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 109.591 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -54.98 -49.18 72.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.566 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 14.1 t80 -57.52 -38.05 74.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -63.49 -41.86 98.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 109.258 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.93 -51.46 69.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.231 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.9 mmm-85 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.32 -179.964 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.477 HG22 HG21 ' A' ' 34' ' ' VAL . 5.5 t -54.8 120.15 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 109.287 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.417 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 17.0 tt0 -80.18 -51.95 8.35 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.456 1.098 . . . . 0.0 110.254 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.417 ' HB3' ' O ' ' A' ' 17' ' ' GLU . 15.6 ptp180 177.15 164.66 0.53 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 110.348 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.586 HD12 ' HB3' ' A' ' 32' ' ' TYR . 4.4 mm -92.75 132.66 36.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.422 1.076 . . . . 0.0 109.349 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.694 ' HB ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -112.62 -14.3 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.476 ' HB3' ' CH2' ' A' ' 46' ' ' TRP . 17.1 t0 -169.98 169.06 8.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.565 ' HG3' ' CD1' ' A' ' 32' ' ' TYR . 0.6 OUTLIER -160.41 130.37 5.23 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.504 1.127 . . . . 0.0 109.247 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.561 ' HG2' ' CZ3' ' A' ' 46' ' ' TRP . 6.0 ptt180 -153.11 -179.05 7.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 0.7 OUTLIER -116.91 155.61 28.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.237 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -91.9 178.29 5.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.15 -34.06 73.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.42 1.075 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -69.75 -32.56 71.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.331 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 110.7 15.45 11.06 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 24' ' ' LYS . 9.3 mmmt -80.9 136.35 36.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 0.785 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.455 ' O ' ' HA ' ' A' ' 48' ' ' PRO . 54.4 m -78.63 128.96 34.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 110.371 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -129.64 137.69 50.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 110.34 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.706 ' CE1' HG23 ' A' ' 59' ' ' ILE . 60.6 m-85 -117.88 124.17 47.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 110.922 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.694 HD23 ' HB ' ' A' ' 20' ' ' VAL . 6.2 tp -71.94 111.35 7.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.254 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.632 HG22 ' CE2' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -120.99 151.57 24.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.358 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.559 ' C ' ' CG ' ' A' ' 36' ' ' TRP . 0.3 OUTLIER -95.52 176.38 6.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.262 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.879 ' HE1' HG22 ' A' ' 45' ' ' THR . 1.6 m95 -162.75 175.61 11.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.159 . . . . 0.0 107.933 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -80.03 144.33 33.31 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.41 -42.26 3.13 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.47 1.106 . . . . 0.0 111.004 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -80.44 118.11 21.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 0.767 . . . . 0.0 111.02 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -51.19 178.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.484 ' OG ' ' CZ ' ' A' ' 35' ' ' ARG . 45.6 m -67.37 -29.87 69.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.962 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -95.24 20.08 9.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.258 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 44' ' ' ASP . 0.8 OUTLIER -112.65 -14.39 13.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.271 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.427 ' OD1' ' N ' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -40.21 126.84 2.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.879 HG22 ' HE1' ' A' ' 36' ' ' TRP . 6.9 t -83.67 -175.87 6.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 110.39 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.561 ' CZ3' ' HG2' ' A' ' 23' ' ' ARG . 76.3 m95 -123.41 100.55 6.88 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -102.25 136.7 19.38 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 110.305 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.536 ' HG2' ' CD2' ' A' ' 51' ' ' HIS . 18.5 Cg_endo -74.95 139.5 24.5 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.436 1.756 . . . . 0.0 111.039 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.4 ' HG2' HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -42.98 -28.18 0.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.423 ' O ' HG23 ' A' ' 53' ' ' VAL . 2.6 tt0 -65.21 -44.12 89.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.251 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.536 ' CD2' ' HG2' ' A' ' 48' ' ' PRO . 20.7 m170 -73.43 -29.59 62.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 109.59 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.447 ' CD1' ' HB2' ' A' ' 32' ' ' TYR . 25.1 mt -81.51 67.32 7.42 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.472 1.108 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 50' ' ' GLN . 72.8 t -81.99 142.71 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 22.7 m-20 55.89 27.29 10.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 59.5 m -121.66 2.68 10.11 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.451 1.094 . . . . 0.0 108.281 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.44 -38.23 8.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.429 1.08 . . . . 0.0 110.293 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -42.34 -66.34 0.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 110.307 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -52.24 -59.93 3.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.963 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.706 HG23 ' CE1' ' A' ' 32' ' ' TYR . 25.0 mt -45.43 -51.08 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -49.89 -59.71 3.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.561 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -53.6 -51.49 62.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.138 . . . . 0.0 109.288 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.573 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 10.5 t80 -55.24 -39.46 69.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 111.065 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -64.02 -36.52 84.25 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.513 1.133 . . . . 0.0 109.254 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.3 mmt85 -70.04 -58.03 4.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.255 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 110.302 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.302 -0.258 . . . . 0.0 110.302 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.503 HG22 HG21 ' A' ' 34' ' ' VAL . 7.5 t -64.5 121.98 14.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.412 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 20.1 tt0 -83.28 -51.03 7.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.345 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.412 ' HB3' ' O ' ' A' ' 17' ' ' GLU . 12.2 ptp180 177.52 165.68 0.62 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.57 1.169 . . . . 0.0 110.402 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.572 HD12 ' HB3' ' A' ' 32' ' ' TYR . 4.0 mm -94.95 131.81 40.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.728 ' HB ' HD23 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -111.27 -18.43 7.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.356 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.449 ' HB3' ' CH2' ' A' ' 46' ' ' TRP . 20.0 t0 -164.99 171.88 13.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.572 ' HG3' ' CD1' ' A' ' 32' ' ' TYR . 0.3 OUTLIER -161.49 132.73 5.36 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.438 1.086 . . . . 0.0 109.266 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.93 171.7 17.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.087 . . . . 0.0 110.282 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.1 ttpp -106.81 151.62 24.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.425 ' N ' ' O ' ' A' ' 29' ' ' LYS . 1.9 m-20 -85.31 165.29 17.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.145 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.75 -29.74 68.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.4 -29.21 62.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.544 1.152 . . . . 0.0 109.341 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 113.02 24.67 4.77 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.506 1.129 . . . . 0.0 110.979 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 25' ' ' ASN . 0.1 OUTLIER -98.39 137.22 37.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 0.789 . . . . 0.0 109.343 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.448 ' O ' ' HA ' ' A' ' 48' ' ' PRO . 12.9 m -80.86 131.21 35.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 110.362 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -130.24 130.86 45.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.34 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.765 ' CE1' HG23 ' A' ' 59' ' ' ILE . 68.3 m-85 -111.55 128.01 55.9 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.461 1.1 . . . . 0.0 110.993 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.728 HD23 ' HB ' ' A' ' 20' ' ' VAL . 6.8 tp -73.69 111.04 8.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.503 HG21 HG22 ' A' ' 16' ' ' VAL . 0.2 OUTLIER -126.15 144.59 35.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.153 . . . . 0.0 109.3 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.539 ' O ' ' CG ' ' A' ' 36' ' ' TRP . 0.0 OUTLIER -85.84 174.52 9.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.237 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.539 ' CG ' ' O ' ' A' ' 35' ' ' ARG . 3.6 m95 -161.51 165.0 29.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 107.99 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -75.22 138.3 41.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 0.0 109.278 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.26 -37.44 3.41 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.554 1.159 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -84.06 115.13 22.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 0.774 . . . . 0.0 111.011 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.416 ' N ' ' HB2' ' A' ' 43' ' ' ASP . 1.9 m-20 -53.42 -178.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.9 t -65.72 -41.67 91.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.122 . . . . 0.0 110.069 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -85.26 2.25 44.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 110.25 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.416 ' HB2' ' N ' ' A' ' 40' ' ' ASP . 0.5 OUTLIER -98.57 -8.64 26.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -40.32 144.69 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.368 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.441 ' OG1' ' NE1' ' A' ' 36' ' ' TRP . 72.5 p -110.64 165.78 11.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 110.422 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.491 ' NE1' HD13 ' A' ' 33' ' ' LEU . 64.0 m95 -110.29 116.75 32.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 108.001 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -114.51 135.79 22.31 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.267 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.527 ' HG2' ' CD2' ' A' ' 51' ' ' HIS . 18.1 Cg_endo -74.97 137.48 21.83 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.515 1.797 . . . . 0.0 111.012 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.99 -31.53 0.12 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.537 1.148 . . . . 0.0 110.311 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.506 ' O ' HG23 ' A' ' 53' ' ' VAL . 5.1 tt0 -60.01 -49.31 78.16 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.527 1.142 . . . . 0.0 110.334 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.527 ' CD2' ' HG2' ' A' ' 48' ' ' PRO . 16.5 m170 -69.24 -20.73 63.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.655 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.502 ' CD2' HG21 ' A' ' 16' ' ' VAL . 22.9 mt -90.51 67.49 6.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.409 1.068 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 50' ' ' GLN . 71.3 t -82.55 145.28 8.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 31.5 m-20 52.94 23.82 3.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 109.274 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 85.0 m -116.28 -0.13 12.69 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.49 1.118 . . . . 0.0 108.263 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -41.81 -39.22 1.7 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.327 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -44.16 -68.79 0.17 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.454 1.096 . . . . 0.0 110.321 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -46.36 -61.84 1.62 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 111.01 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.765 HG23 ' CE1' ' A' ' 32' ' ' TYR . 64.1 mt -46.4 -53.12 2.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -47.86 -61.82 1.77 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.535 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -51.16 -48.89 61.76 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.451 1.094 . . . . 0.0 109.269 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.571 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 12.1 t80 -58.04 -39.23 77.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.981 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 59' ' ' ILE . 1.0 OUTLIER -67.2 -37.32 83.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.89 -52.29 66.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 110.285 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.403 ' N ' ' HD2' ' A' ' 65' ' ' ARG . 1.1 mpt_? . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.257 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.713 HG22 HG21 ' A' ' 34' ' ' VAL . 5.2 t -55.06 122.96 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -81.43 -49.64 10.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.331 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.408 ' O ' ' HA ' ' A' ' 34' ' ' VAL . 14.3 ptp180 177.88 164.93 0.67 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 0.0 110.323 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.577 ' HB ' ' CD2' ' A' ' 62' ' ' PHE . 4.4 mm -93.6 129.46 43.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.262 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.798 ' HB ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -107.41 -12.34 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.444 ' N ' ' HB3' ' A' ' 33' ' ' LEU . 24.9 t0 -174.23 179.12 1.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.329 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.571 ' HD2' ' CE1' ' A' ' 32' ' ' TYR . 1.6 tttt -169.38 128.43 1.0 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.413 ' NH1' ' HB3' ' A' ' 23' ' ' ARG . 2.6 mtp-105 -150.53 -178.95 6.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 110.351 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -104.64 148.98 25.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.589 1.181 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -76.36 -179.86 5.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.324 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.17 -36.71 72.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.583 1.177 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.42 -39.05 71.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 126.08 42.59 0.3 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.514 1.134 . . . . 0.0 110.966 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.5 mmtm -114.15 141.47 47.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 0.797 . . . . 0.0 109.339 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.443 ' O ' ' HA ' ' A' ' 48' ' ' PRO . 52.9 m -76.24 130.27 37.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 110.353 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.411 ' O ' ' HA ' ' A' ' 22' ' ' LYS . 31.7 mt-10 -129.1 140.8 51.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.25 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.571 ' CE1' ' HD2' ' A' ' 22' ' ' LYS . 49.8 m-85 -122.27 127.56 50.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.966 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.798 HD23 ' HB ' ' A' ' 20' ' ' VAL . 17.2 tp -73.65 109.02 6.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 109.358 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.713 HG21 HG22 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -124.7 137.77 56.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.267 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.539 ' C ' ' CG ' ' A' ' 36' ' ' TRP . 6.7 mmm-85 -84.26 176.49 8.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.278 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.647 ' CE2' HG22 ' A' ' 34' ' ' VAL . 2.3 m95 -161.72 157.01 23.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.584 1.177 . . . . 0.0 107.998 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.7 mmtt -64.94 156.91 29.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.115 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.04 -51.02 4.28 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.476 1.11 . . . . 0.0 111.063 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -89.39 140.64 29.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 0.747 . . . . 0.0 111.029 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 43' ' ' ASP . 3.3 m-20 -94.47 171.12 9.0 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.535 1.147 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.7 t -45.97 -56.83 4.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.059 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -51.79 -21.05 2.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.401 1.063 . . . . 0.0 110.319 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 40' ' ' ASP . 26.3 m-20 -113.41 42.11 2.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.257 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.515 ' CG ' HD11 ' A' ' 33' ' ' LEU . 8.5 p30 -83.77 176.08 9.2 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.412 1.07 . . . . 0.0 109.339 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.501 ' O ' HD12 ' A' ' 33' ' ' LEU . 67.5 p -136.17 168.8 18.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.424 1.078 . . . . 0.0 110.39 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.486 ' CE2' HD13 ' A' ' 33' ' ' LEU . 74.1 m95 -118.42 102.03 8.62 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.546 1.154 . . . . 0.0 107.975 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -99.95 134.6 20.82 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.095 . . . . 0.0 110.335 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.516 ' HG2' ' CG ' ' A' ' 51' ' ' HIS . 18.5 Cg_endo -74.95 142.53 28.15 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.537 1.809 . . . . 0.0 111.051 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -46.45 -50.27 17.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.262 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -50.8 -25.05 3.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 110.315 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.516 ' CG ' ' HG2' ' A' ' 48' ' ' PRO . 19.1 m170 -91.03 -26.11 19.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.574 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.629 HD22 HG21 ' A' ' 16' ' ' VAL . 74.2 mt -85.29 53.57 2.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.418 HG13 ' H ' ' A' ' 53' ' ' VAL . 1.0 OUTLIER -69.3 142.76 15.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.438 1.087 . . . . 0.0 109.238 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 59.32 18.36 6.63 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 80.4 m -120.49 9.97 11.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.583 1.177 . . . . 0.0 108.305 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -56.0 -33.45 64.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -45.18 -69.01 0.15 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.509 1.131 . . . . 0.0 110.301 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -49.68 -49.39 47.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 111.046 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.496 HG23 ' CE1' ' A' ' 32' ' ' TYR . 82.7 mt -52.58 -59.37 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.339 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -45.11 -51.51 10.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.577 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -58.42 -52.21 66.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.424 1.077 . . . . 0.0 109.336 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.577 ' CD2' ' HB ' ' A' ' 19' ' ' ILE . 10.3 t80 -56.8 -39.66 74.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 111.019 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.22 -49.0 77.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.143 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.49 -46.4 70.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 110.323 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.3 mmm180 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.311 179.988 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.272 -0.269 . . . . 0.0 110.272 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.708 HG22 HG21 ' A' ' 34' ' ' VAL . 4.3 t -55.84 121.22 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.406 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 12.6 tt0 -82.27 -51.28 8.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 110.267 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.406 ' HB3' ' O ' ' A' ' 17' ' ' GLU . 15.4 ptp180 177.58 165.61 0.63 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.573 1.171 . . . . 0.0 110.334 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.571 ' HB ' ' CD1' ' A' ' 62' ' ' PHE . 4.0 mm -94.19 131.22 41.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.345 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.719 ' HB ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -110.97 -19.23 7.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.264 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -162.06 168.61 22.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.086 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.565 ' HG3' ' CD1' ' A' ' 32' ' ' TYR . 0.7 OUTLIER -167.77 134.31 2.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.243 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.94 175.79 13.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.29 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.471 ' CG ' ' HA2' ' A' ' 28' ' ' GLY . 3.1 ttpt -100.81 150.14 23.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.169 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 35.9 m-20 -92.59 -179.85 5.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.36 -40.7 98.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.572 1.17 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 31.3 mttp -71.4 -10.86 60.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.471 ' HA2' ' CG ' ' A' ' 24' ' ' LYS . . . 93.1 15.54 51.28 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -80.25 139.13 36.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 0.758 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.405 HG23 ' HE3' ' A' ' 22' ' ' LYS . 12.7 m -86.23 122.42 30.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.133 . . . . 0.0 110.37 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.413 ' O ' ' HA ' ' A' ' 22' ' ' LYS . 3.3 mm-40 -115.27 142.66 46.37 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.452 1.095 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.643 ' CE1' HG23 ' A' ' 59' ' ' ILE . 42.5 m-85 -123.91 122.49 38.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.596 1.185 . . . . 0.0 110.94 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.719 HD23 ' HB ' ' A' ' 20' ' ' VAL . 7.0 tp -72.82 109.61 6.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.708 HG21 HG22 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -122.49 141.04 44.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.552 ' O ' ' CG ' ' A' ' 36' ' ' TRP . 22.3 mtm180 -83.27 176.64 9.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.256 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.621 ' CE2' HG22 ' A' ' 34' ' ' VAL . 3.3 m95 -162.17 149.47 13.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 108.04 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.17 148.78 39.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.34 -51.46 4.18 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.49 1.119 . . . . 0.0 110.961 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -55.29 124.61 17.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 0.737 . . . . 0.0 111.007 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.92 -175.04 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.25 -44.93 82.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.937 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.75 22.87 3.34 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 110.274 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -110.63 -18.5 13.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.097 . . . . 0.0 109.276 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -42.58 147.1 0.3 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 47.8 p -118.12 160.01 22.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.401 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.549 ' NE1' HD13 ' A' ' 33' ' ' LEU . 38.8 m95 -102.05 119.05 38.17 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -109.82 131.33 22.0 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.524 1.14 . . . . 0.0 110.321 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.47 ' HG2' ' CD2' ' A' ' 51' ' ' HIS . 18.3 Cg_endo -74.92 136.01 19.99 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.515 1.797 . . . . 0.0 111.029 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.32 -41.12 2.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.599 ' O ' HG23 ' A' ' 53' ' ' VAL . 22.0 tt0 -54.18 -41.08 68.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.332 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.47 ' CD2' ' HG2' ' A' ' 48' ' ' PRO . 16.8 m170 -76.85 -32.24 57.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.587 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.458 ' CD2' HG21 ' A' ' 16' ' ' VAL . 26.2 mt -78.28 65.85 3.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 50' ' ' GLN . 48.6 t -87.36 138.39 19.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.255 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 68.32 9.91 7.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 26.5 m -118.36 19.77 13.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 108.335 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.83 -34.97 73.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 110.232 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -44.42 -64.31 0.71 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 110.314 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -48.81 -61.3 2.12 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.453 1.096 . . . . 0.0 110.986 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.643 HG23 ' CE1' ' A' ' 32' ' ' TYR . 11.5 mt -48.37 -41.71 11.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.254 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -61.61 -47.22 86.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.602 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -61.92 -45.47 93.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.162 . . . . 0.0 109.395 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.571 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 16.7 t80 -60.49 -38.89 85.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.42 1.075 . . . . 0.0 111.016 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.18 -48.57 75.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.425 1.078 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.8 mmt180 -58.02 -50.74 72.38 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.57 1.168 . . . . 0.0 110.289 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.5 mtt-85 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.572 1.17 . . . . 0.0 110.279 -179.969 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.606 HG22 HG21 ' A' ' 34' ' ' VAL . 6.2 t -69.45 120.2 16.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.444 ' OE2' ' NH1' ' A' ' 18' ' ' ARG . 10.8 tt0 -78.19 -51.58 10.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.316 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.444 ' NH1' ' OE2' ' A' ' 17' ' ' GLU . 9.3 ptp85 177.25 164.81 0.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 110.335 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.614 HD12 ' HB3' ' A' ' 32' ' ' TYR . 3.6 mm -93.52 131.29 40.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.258 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.698 ' HB ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -111.17 -18.36 7.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 109.32 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.448 ' OD1' ' N ' ' A' ' 22' ' ' LYS . 5.2 t0 -166.23 172.22 11.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.57 ' HD2' ' CE1' ' A' ' 32' ' ' TYR . 1.1 tttt -164.68 133.48 3.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.78 176.75 11.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 110.34 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.48 ' CG ' ' HA2' ' A' ' 28' ' ' GLY . 2.8 ttpt -104.88 146.02 29.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.42 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 1.6 m-20 -80.84 167.04 20.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.423 ' HG3' ' N ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -57.85 -31.72 66.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.313 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.423 ' N ' ' HG3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -75.89 -20.37 58.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.48 ' HA2' ' CG ' ' A' ' 24' ' ' LYS . . . 103.38 21.6 9.79 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.477 1.111 . . . . 0.0 110.946 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.27 139.02 31.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.43 0.723 . . . . 0.0 109.276 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.44 ' O ' ' HA ' ' A' ' 48' ' ' PRO . 31.3 m -82.41 126.17 31.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.577 1.173 . . . . 0.0 110.43 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -129.78 131.46 46.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.339 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.716 ' CE1' HG23 ' A' ' 59' ' ' ILE . 74.3 m-85 -108.75 128.98 55.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 111.036 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.698 HD23 ' HB ' ' A' ' 20' ' ' VAL . 6.6 tp -73.93 109.72 7.65 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.563 1.164 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.618 HG22 ' CE2' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -122.5 147.73 26.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.552 ' C ' ' CG ' ' A' ' 36' ' ' TRP . 24.0 mmm-85 -91.22 175.07 7.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.284 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.618 ' CE2' HG22 ' A' ' 34' ' ' VAL . 1.8 m95 -162.46 165.64 25.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.554 1.159 . . . . 0.0 107.997 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.59 146.76 46.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.16 -43.83 3.16 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.473 1.108 . . . . 0.0 111.016 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -81.96 122.71 28.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 0.783 . . . . 0.0 111.015 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.421 ' N ' ' HB2' ' A' ' 43' ' ' ASP . 0.5 OUTLIER -64.07 -158.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.403 1.064 . . . . 0.0 109.318 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.405 ' O ' ' CG ' ' A' ' 44' ' ' ASP . 0.5 OUTLIER -78.13 -37.87 45.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.974 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -87.34 10.53 17.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.421 ' HB2' ' N ' ' A' ' 40' ' ' ASP . 9.0 m-20 -107.71 -15.24 14.62 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.405 ' CG ' ' O ' ' A' ' 41' ' ' SER . 0.5 OUTLIER -40.05 140.9 0.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 109.334 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.405 ' OG1' ' NE1' ' A' ' 36' ' ' TRP . 55.6 p -109.22 161.54 15.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.409 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.465 ' NE1' HD13 ' A' ' 33' ' ' LEU . 63.4 m95 -106.41 113.83 27.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.537 1.148 . . . . 0.0 107.983 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -111.69 136.22 21.11 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 110.267 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.447 ' O ' ' N ' ' A' ' 51' ' ' HIS . 18.4 Cg_endo -74.94 134.85 18.43 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.554 1.818 . . . . 0.0 111.075 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.76 -31.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.317 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.521 ' O ' HG23 ' A' ' 53' ' ' VAL . 3.4 tt0 -56.92 -49.6 75.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.293 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.447 ' N ' ' O ' ' A' ' 48' ' ' PRO . 18.3 m170 -70.6 -26.16 63.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.561 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.541 ' CD2' HG21 ' A' ' 16' ' ' VAL . 22.8 mt -84.21 69.35 10.41 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 50' ' ' GLN . 68.5 t -86.87 138.41 19.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 61.32 21.33 11.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.247 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 19.7 m -115.36 15.27 16.86 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.561 1.163 . . . . 0.0 108.307 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.18 -42.37 73.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.573 1.171 . . . . 0.0 110.31 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -40.98 -65.1 0.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.297 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -49.3 -62.02 1.77 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.383 1.052 . . . . 0.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.716 HG23 ' CE1' ' A' ' 32' ' ' TYR . 12.0 mt -46.79 -42.29 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.339 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -60.33 -59.65 5.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.608 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -52.34 -37.21 55.47 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.571 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 78.6 t80 -68.78 -28.46 66.8 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.527 1.142 . . . . 0.0 111.043 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -86.37 -43.1 13.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.425 ' HG3' ' N ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -69.36 -27.11 65.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.588 1.18 . . . . 0.0 110.314 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.425 ' N ' ' HG3' ' A' ' 64' ' ' ARG . 2.3 mmm180 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 110.367 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.648 HG22 HG21 ' A' ' 34' ' ' VAL . 4.0 t -72.56 116.94 15.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.412 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 22.1 tt0 -68.65 -53.0 25.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.552 1.157 . . . . 0.0 110.357 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.412 ' HB3' ' O ' ' A' ' 17' ' ' GLU . 15.2 ptp180 177.13 165.07 0.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.573 1.171 . . . . 0.0 110.277 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.598 HG21 ' HD1' ' A' ' 32' ' ' TYR . 5.4 mm -90.01 123.89 42.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.566 1.166 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -102.17 -20.75 5.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.525 1.141 . . . . 0.0 109.277 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.503 ' HB3' ' CH2' ' A' ' 46' ' ' TRP . 7.5 t0 -163.64 175.54 10.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.229 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.571 ' HG3' ' CD1' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -171.56 128.97 0.67 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -153.42 179.71 8.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.143 . . . . 0.0 110.246 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.73 157.91 26.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 25.1 m-20 -101.77 170.62 8.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.246 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.78 -31.17 37.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.24 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -67.74 -41.85 82.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 0.0 109.341 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 116.38 11.84 9.36 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.487 1.117 . . . . 0.0 110.955 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -80.49 135.66 36.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 0.752 . . . . 0.0 109.277 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 53.1 m -84.62 126.94 33.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 110.362 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.432 ' OE2' ' N ' ' A' ' 48' ' ' PRO . 5.4 mm-40 -124.77 139.92 53.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.331 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.598 ' HD1' HG21 ' A' ' 19' ' ' ILE . 43.9 m-85 -121.13 120.09 34.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 110.992 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.618 HD13 ' NE1' ' A' ' 46' ' ' TRP . 51.5 tp -71.21 109.57 5.33 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.648 HG21 HG22 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -119.9 143.41 31.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.458 1.098 . . . . 0.0 109.265 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.553 ' O ' ' CG ' ' A' ' 36' ' ' TRP . 0.0 OUTLIER -85.19 176.49 8.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.098 . . . . 0.0 110.25 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.632 ' CH2' HG22 ' A' ' 16' ' ' VAL . 2.7 m95 -162.48 151.33 15.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 108.022 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.18 143.07 55.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.354 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.2 -45.91 3.02 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.518 1.136 . . . . 0.0 111.04 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -83.59 129.23 34.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 0.744 . . . . 0.0 110.956 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.423 ' N ' ' HB2' ' A' ' 43' ' ' ASP . 4.3 m-20 -71.69 -170.19 0.52 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.8 t -66.73 -51.79 51.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 110.029 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -64.46 -12.29 42.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.436 1.085 . . . . 0.0 110.319 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.423 ' HB2' ' N ' ' A' ' 40' ' ' ASP . 1.8 m-20 -92.99 -21.63 19.65 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -41.07 146.16 0.18 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.423 ' OG1' ' NE1' ' A' ' 36' ' ' TRP . 74.7 p -113.0 170.71 8.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.413 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.618 ' NE1' HD13 ' A' ' 33' ' ' LEU . 57.9 m95 -114.54 113.17 24.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 108.019 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -105.38 133.62 20.08 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.342 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.507 ' HG2' ' CG ' ' A' ' 51' ' ' HIS . 18.4 Cg_endo -74.93 138.05 22.69 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.472 1.775 . . . . 0.0 111.063 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.464 ' HG2' HD13 ' A' ' 59' ' ' ILE . 0.2 OUTLIER -43.26 -56.11 3.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -47.58 -31.31 4.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.316 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.507 ' CG ' ' HG2' ' A' ' 48' ' ' PRO . 7.2 m170 -83.62 -31.95 25.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.626 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.63 ' CD2' HG21 ' A' ' 16' ' ' VAL . 36.9 mt -77.72 64.79 3.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.359 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.0 t -83.88 142.42 13.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 0.0 109.27 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 65.15 12.13 7.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.347 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 32.0 m -124.02 18.45 9.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 108.307 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -59.83 -35.89 75.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.345 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 50.0 tt0 -42.68 -65.12 0.51 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.328 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -49.62 -57.55 6.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.964 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.514 HG23 ' CE1' ' A' ' 32' ' ' TYR . 81.2 mt -49.77 -53.69 9.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -50.25 -50.92 48.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.548 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -60.04 -59.67 5.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.576 ' CD2' ' HB ' ' A' ' 19' ' ' ILE . 4.4 t80 -49.35 -47.78 47.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -54.16 -46.8 72.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.8 mmt-85 -57.94 -54.73 43.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.423 1.077 . . . . 0.0 110.28 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.2 mmm180 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.312 -179.937 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.609 HG22 HG21 ' A' ' 34' ' ' VAL . 5.3 t -62.57 122.5 13.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.413 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 11.6 tt0 -77.67 -50.27 12.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.413 ' HB3' ' O ' ' A' ' 17' ' ' GLU . 8.4 ptp180 177.59 168.41 0.66 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 110.255 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.569 HD12 ' HB3' ' A' ' 32' ' ' TYR . 2.9 mm -96.58 129.42 46.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.717 ' HB ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -108.53 -12.24 10.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.1 . . . . 0.0 109.264 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.42 ' HB3' ' CH2' ' A' ' 46' ' ' TRP . 16.2 t0 -173.47 167.78 4.61 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.425 1.078 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.58 ' HG3' ' CE1' ' A' ' 32' ' ' TYR . 0.5 OUTLIER -159.44 139.27 11.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 109.331 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.438 ' N ' ' HG2' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -163.46 179.67 7.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.31 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -110.45 162.6 14.52 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.418 ' ND2' ' O ' ' A' ' 29' ' ' LYS . 0.7 OUTLIER -109.43 175.94 5.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.27 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.34 -18.99 65.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.416 1.072 . . . . 0.0 109.344 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.6 mttt -77.18 -42.55 37.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.259 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 119.04 -0.58 14.78 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.443 1.089 . . . . 0.0 111.043 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.533 ' N ' ' CD ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -78.4 142.2 37.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 0.734 . . . . 0.0 109.226 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.54 HG22 ' CE2' ' A' ' 32' ' ' TYR . 7.6 m -85.37 121.67 28.42 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.532 1.145 . . . . 0.0 110.379 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -116.05 150.18 37.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.11 . . . . 0.0 110.333 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.58 ' CE1' ' HG3' ' A' ' 22' ' ' LYS . 72.2 m-85 -130.53 127.75 39.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.966 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.717 HD23 ' HB ' ' A' ' 20' ' ' VAL . 6.8 tp -73.54 109.52 7.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.609 HG21 HG22 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -123.8 144.32 33.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.251 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.556 ' O ' ' CG ' ' A' ' 36' ' ' TRP . 1.1 mmp_? -86.85 176.02 7.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 110.26 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.598 ' CH2' HG22 ' A' ' 16' ' ' VAL . 2.2 m95 -162.81 155.97 19.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 108.032 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -84.9 165.2 17.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.5 -36.95 3.34 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.491 1.119 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.403 ' HB3' ' CB ' ' A' ' 43' ' ' ASP . 31.7 m-85 -92.98 172.15 8.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 0.772 . . . . 0.0 110.932 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -79.13 -173.92 3.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.4 m -79.72 -36.18 37.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.941 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -91.17 26.57 2.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.608 1.193 . . . . 0.0 110.275 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 44' ' ' ASP . 9.4 t0 -106.46 -13.93 15.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 43' ' ' ASP . 2.2 p30 -39.73 132.61 1.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.248 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.8 p -111.5 -177.41 3.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 110.445 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.443 ' NE1' HD13 ' A' ' 33' ' ' LEU . 61.1 m95 -119.78 112.87 19.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 108.051 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -108.06 141.35 22.97 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 110.292 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.493 ' HG2' ' CG ' ' A' ' 51' ' ' HIS . 18.4 Cg_endo -75.01 134.9 18.35 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.485 1.781 . . . . 0.0 110.98 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -40.38 -44.0 1.88 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.09 . . . . 0.0 110.338 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -52.09 -43.44 63.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.601 1.188 . . . . 0.0 110.347 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.493 ' CG ' ' HG2' ' A' ' 48' ' ' PRO . 18.7 m170 -76.27 -20.91 56.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.556 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.52 HD22 HG21 ' A' ' 16' ' ' VAL . 29.9 mt -92.1 64.37 4.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.258 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 71.0 t -73.9 139.25 19.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 67.77 12.25 8.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.472 ' SG ' HG11 ' A' ' 16' ' ' VAL . 47.2 t -90.69 -22.0 21.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.579 1.174 . . . . 0.0 108.231 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 55' ' ' CYS . 31.8 mt-10 -36.01 -39.4 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.292 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -53.86 -53.13 56.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.288 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.454 ' N ' ' O ' ' A' ' 55' ' ' CYS . 50.8 m-85 -66.38 -52.87 42.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.986 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.53 HG23 ' CE1' ' A' ' 32' ' ' TYR . 6.4 mt -48.78 -50.25 13.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -46.58 -62.98 1.13 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.625 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -50.81 -49.87 57.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.356 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.568 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 11.1 t80 -56.14 -40.72 74.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 110.949 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -65.2 -43.26 92.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 -53.55 -52.51 59.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.6 mmt180 . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.542 1.151 . . . . 0.0 110.275 -179.98 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.337 -0.245 . . . . 0.0 110.337 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.579 HG22 HG21 ' A' ' 34' ' ' VAL . 11.7 t -59.25 126.36 16.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.259 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -86.99 -48.55 8.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.431 1.082 . . . . 0.0 110.239 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 177.76 166.2 0.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.322 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.546 ' HB ' ' CD1' ' A' ' 62' ' ' PHE . 3.6 mm -95.19 128.74 46.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.708 ' HB ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -108.34 -12.64 10.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.498 ' HB3' ' CH2' ' A' ' 46' ' ' TRP . 15.0 t0 -174.71 173.19 2.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.571 ' HD2' ' CE1' ' A' ' 32' ' ' TYR . 0.5 OUTLIER -162.95 137.79 6.53 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.418 ' N ' ' HG2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -158.4 -179.02 7.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 110.241 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.19 161.79 17.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -99.38 173.21 6.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.15 -35.22 64.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.353 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.91 -30.19 67.55 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 108.86 11.51 22.59 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.451 1.094 . . . . 0.0 111.08 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp -76.32 136.5 39.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 0.741 . . . . 0.0 109.336 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.426 HG23 ' HE2' ' A' ' 22' ' ' LYS . 48.6 m -78.61 132.73 37.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.429 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -134.05 143.93 48.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.583 ' CE1' HG23 ' A' ' 59' ' ' ILE . 73.0 m-85 -123.48 127.43 48.36 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.517 1.136 . . . . 0.0 110.964 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.708 HD23 ' HB ' ' A' ' 20' ' ' VAL . 6.7 tp -74.13 110.6 8.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.615 HG22 ' CE2' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -123.84 145.76 30.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.09 . . . . 0.0 109.239 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.58 ' NH1' HG11 ' A' ' 20' ' ' VAL . 1.9 mtm-85 -88.58 174.26 8.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 110.3 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.615 ' CE2' HG22 ' A' ' 34' ' ' VAL . 1.9 m95 -162.28 161.19 27.55 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.498 1.124 . . . . 0.0 107.996 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.9 mttt -64.5 141.79 58.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 109.212 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.27 -40.48 3.08 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.499 1.124 . . . . 0.0 110.988 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -73.18 115.24 12.28 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.52 0.776 . . . . 0.0 111.005 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -63.15 -156.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.15 . . . . 0.0 109.272 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.1 t -76.01 -48.54 20.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.943 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -90.68 24.2 2.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 110.248 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 44' ' ' ASP . 1.4 t0 -110.98 -29.45 7.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.346 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 43' ' ' ASP . 5.0 m-20 -39.34 152.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.416 ' O ' HD12 ' A' ' 33' ' ' LEU . 15.7 p -118.69 -175.63 2.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.385 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.541 ' NE1' HD13 ' A' ' 33' ' ' LEU . 59.9 m95 -121.85 118.71 29.62 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 108.019 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -114.79 139.77 24.57 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.585 1.178 . . . . 0.0 110.337 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.448 ' O ' ' N ' ' A' ' 51' ' ' HIS . 18.2 Cg_endo -74.96 137.12 21.39 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.459 1.768 . . . . 0.0 110.988 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -40.71 -41.03 1.44 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -53.66 -44.57 69.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.34 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.448 ' N ' ' O ' ' A' ' 48' ' ' PRO . 15.4 m170 -76.75 -18.43 58.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.579 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.476 ' CD1' ' HB2' ' A' ' 32' ' ' TYR . 29.7 mt -94.8 65.16 2.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.1 m -79.03 141.37 15.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.341 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 65.53 16.71 10.64 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.555 1.159 . . . . 0.0 109.25 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.407 ' O ' ' C ' ' A' ' 56' ' ' GLU . 4.5 t -100.75 -15.08 17.79 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.507 1.129 . . . . 0.0 108.26 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 55' ' ' CYS . 10.9 mt-10 -37.26 -40.42 0.33 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.327 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -50.83 -56.1 13.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 110.275 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -62.48 -53.41 55.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 110.973 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.583 HG23 ' CE1' ' A' ' 32' ' ' TYR . 10.6 mt -49.48 -41.79 16.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -60.47 -47.69 85.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 109.577 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -63.63 -25.56 68.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.546 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 61.9 t80 -83.71 -29.08 27.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 111.033 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -82.11 -31.31 30.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.269 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -75.73 -27.26 58.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 110.333 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.424 ' N ' ' HG3' ' A' ' 64' ' ' ARG . 1.9 mmm180 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.31 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.745 HG21 HD22 ' A' ' 52' ' ' LEU . 4.1 t -71.21 118.55 16.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.406 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 18.2 tt0 -75.47 -51.77 12.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.406 ' HB3' ' O ' ' A' ' 17' ' ' GLU . 15.6 ptp180 177.73 167.88 0.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.366 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.567 ' HB ' ' CD2' ' A' ' 62' ' ' PHE . 4.1 mm -96.08 130.31 44.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.218 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.699 ' HB ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -109.71 -22.31 5.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.467 1.104 . . . . 0.0 109.246 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.49 ' HB3' ' CH2' ' A' ' 46' ' ' TRP . 14.9 t0 -161.82 169.75 20.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.569 ' HG3' ' CD1' ' A' ' 32' ' ' TYR . 3.8 tttm -153.79 139.97 18.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.453 1.095 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.432 ' N ' ' HG2' ' A' ' 22' ' ' LYS . 0.6 OUTLIER -158.65 -179.11 7.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.37 149.96 24.92 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.46 1.1 . . . . 0.0 109.326 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -78.6 179.85 6.87 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.541 1.15 . . . . 0.0 109.253 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.9 tmmm? -70.74 -37.75 73.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.255 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.27 -32.16 64.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 119.23 35.45 0.94 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -105.45 140.83 37.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 0.774 . . . . 0.0 109.259 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.458 ' O ' ' HA ' ' A' ' 48' ' ' PRO . 89.1 m -68.13 122.87 19.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 110.353 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -118.5 139.84 50.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 110.324 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.569 ' CD1' ' HG3' ' A' ' 22' ' ' LYS . 51.9 m-85 -125.83 125.0 42.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.142 . . . . 0.0 111.054 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.699 HD23 ' HB ' ' A' ' 20' ' ' VAL . 6.4 tp -73.22 110.39 7.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 109.265 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.65 HG21 HG22 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -123.89 142.96 38.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.464 1.102 . . . . 0.0 109.262 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.541 ' O ' ' CG ' ' A' ' 36' ' ' TRP . 0.8 OUTLIER -84.88 176.13 8.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.331 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.6 ' CE2' HG22 ' A' ' 34' ' ' VAL . 2.8 m95 -162.4 151.17 15.0 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.4 pttt -68.99 154.89 41.29 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.72 -42.27 3.06 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.538 1.149 . . . . 0.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -83.88 157.88 21.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 0.764 . . . . 0.0 111.051 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.12 -157.34 0.19 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.6 p -86.49 -41.57 14.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.948 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -83.24 3.49 30.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.382 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -96.87 -11.12 25.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.454 ' N ' ' OD1' ' A' ' 44' ' ' ASP . 1.0 OUTLIER -42.43 141.62 0.95 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.311 179.915 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.446 ' OG1' ' NE1' ' A' ' 36' ' ' TRP . 70.8 p -112.21 166.39 11.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 110.38 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.49 ' CH2' ' HB3' ' A' ' 21' ' ' ASP . 61.2 m95 -108.78 124.84 51.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 108.026 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -118.63 137.19 24.59 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 110.244 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.458 ' HA ' ' O ' ' A' ' 30' ' ' THR . 18.2 Cg_endo -75.04 138.42 22.9 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.428 1.752 . . . . 0.0 110.96 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.559 ' HG2' HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -45.91 -45.56 15.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.249 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -53.88 -28.64 37.56 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.457 ' CG ' ' HG2' ' A' ' 48' ' ' PRO . 19.0 m170 -90.67 -22.54 21.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.643 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.745 HD22 HG21 ' A' ' 16' ' ' VAL . 85.3 mt -86.9 54.1 3.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -72.15 144.3 13.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.148 . . . . 0.0 109.233 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 58.92 16.95 4.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 109.285 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 71.5 m -120.58 4.13 10.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.16 . . . . 0.0 108.286 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.404 ' HA ' HD12 ' A' ' 59' ' ' ILE . 2.3 mt-10 -51.77 -35.44 43.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -42.25 -62.51 0.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -55.7 -52.39 64.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 111.031 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.559 HD13 ' HG2' ' A' ' 49' ' ' GLU . 30.2 mt -51.32 -49.75 29.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 19.1 m-70 -55.2 -48.83 73.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.621 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -60.82 -37.39 81.85 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.567 ' CD2' ' HB ' ' A' ' 19' ' ' ILE . 39.3 t80 -70.57 -28.94 65.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 111.044 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -85.87 -36.17 20.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.13 . . . . 0.0 109.346 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.437 ' HG3' ' N ' ' A' ' 65' ' ' ARG . 0.1 OUTLIER -78.29 -26.31 46.99 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.437 ' N ' ' HG3' ' A' ' 64' ' ' ARG . 1.9 mmm180 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 110.293 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.731 HG22 HG21 ' A' ' 34' ' ' VAL . 4.1 t -59.74 119.98 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.404 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 14.0 tt0 -75.75 -50.93 13.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 110.305 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.447 ' O ' ' HA ' ' A' ' 34' ' ' VAL . 14.6 ptp180 177.64 163.66 0.59 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.433 1.083 . . . . 0.0 110.286 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.573 ' HB ' ' CD1' ' A' ' 62' ' ' PHE . 4.4 mm -89.53 128.39 41.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.697 ' HB ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -106.61 -14.36 9.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 -179.927 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.491 ' HB3' ' CH2' ' A' ' 46' ' ' TRP . 13.2 t0 -170.71 168.91 7.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.587 ' HG3' ' CE1' ' A' ' 32' ' ' TYR . 0.6 OUTLIER -156.8 139.03 14.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 0.0 109.271 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.465 ' O ' ' CG ' ' A' ' 31' ' ' GLU . 0.5 OUTLIER -161.9 -178.37 6.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.436 1.085 . . . . 0.0 110.272 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -116.6 162.01 18.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 -99.62 169.78 9.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.73 -29.28 62.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.0 mttm -72.7 -34.41 67.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.165 . . . . 0.0 109.325 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 115.42 8.0 15.27 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.507 1.129 . . . . 0.0 111.028 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.2 mmmt -78.46 134.63 37.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.542 0.789 . . . . 0.0 109.293 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.462 ' O ' ' HA ' ' A' ' 48' ' ' PRO . 20.9 m -77.65 129.34 35.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.422 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.602 ' OE2' ' CE3' ' A' ' 46' ' ' TRP . 8.7 pt-20 -123.49 149.12 45.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.323 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.687 ' CE1' HG23 ' A' ' 59' ' ' ILE . 51.9 m-85 -131.59 119.56 21.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.697 HD23 ' HB ' ' A' ' 20' ' ' VAL . 6.1 tp -70.96 112.96 7.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.731 HG21 HG22 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -117.27 157.05 18.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.579 ' O ' ' CG ' ' A' ' 36' ' ' TRP . 0.0 OUTLIER -96.57 175.86 6.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.32 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.603 ' CE2' HG22 ' A' ' 34' ' ' VAL . 2.0 m95 -163.64 178.77 7.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.584 1.178 . . . . 0.0 107.996 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -123.89 161.24 25.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.79 -55.33 4.38 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.467 1.105 . . . . 0.0 111.052 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.635 ' CD2' ' O ' ' A' ' 40' ' ' ASP . 2.7 p90 -73.33 155.6 39.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 0.784 . . . . 0.0 110.971 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.635 ' O ' ' CD2' ' A' ' 39' ' ' TYR . 0.7 OUTLIER -59.75 144.99 46.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.2 t -67.25 -28.64 68.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.004 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -87.08 28.22 0.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.248 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 44' ' ' ASP . 0.2 OUTLIER -128.66 13.02 6.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.363 179.93 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.519 ' HB2' HD11 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -37.48 154.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.94 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -132.99 160.06 38.21 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.434 1.084 . . . . 0.0 110.37 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.602 ' CE3' ' OE2' ' A' ' 31' ' ' GLU . 62.2 m95 -112.76 109.3 18.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 108.027 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -102.2 137.68 19.52 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.329 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.532 ' HG2' ' CD2' ' A' ' 51' ' ' HIS . 18.2 Cg_endo -75.01 143.44 29.03 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.509 1.794 . . . . 0.0 111.005 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.32 -36.34 6.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 110.329 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.42 ' O ' HG23 ' A' ' 53' ' ' VAL . 6.1 tt0 -60.25 -32.81 71.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.239 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.532 ' CD2' ' HG2' ' A' ' 48' ' ' PRO . 26.1 m170 -79.39 -34.25 42.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.63 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.664 HD22 HG21 ' A' ' 16' ' ' VAL . 20.7 mt -80.78 68.33 6.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 50' ' ' GLN . 69.0 t -84.39 136.28 23.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.357 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 69.38 8.56 6.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.351 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 16.2 m -109.48 18.59 20.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 108.334 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -52.46 -46.39 66.48 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.144 . . . . 0.0 110.327 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -41.17 -69.18 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.301 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -41.86 -59.44 1.7 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 111.008 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.687 HG23 ' CE1' ' A' ' 32' ' ' TYR . 31.1 mt -52.4 -51.45 32.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.575 1.172 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -51.44 -62.5 1.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.59 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -50.99 -50.61 58.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.379 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.573 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 8.7 t80 -54.56 -40.0 68.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.99 -48.04 80.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.7 mmt85 -57.27 -57.51 12.29 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.446 1.092 . . . . 0.0 110.322 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.4 mmm180 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.409 1.068 . . . . 0.0 110.267 -179.972 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.637 HG21 ' CD2' ' A' ' 52' ' ' LEU . 3.9 t -72.36 116.28 14.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.342 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -70.68 -52.62 19.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.335 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.407 ' O ' ' HA ' ' A' ' 34' ' ' VAL . 10.1 ptm180 177.54 169.36 0.64 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.284 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.557 ' HB ' ' CD1' ' A' ' 62' ' ' PHE . 4.6 mm -97.58 129.31 47.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.67 ' HB ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -108.16 -22.7 4.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 109.258 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.553 ' HB3' ' CH2' ' A' ' 46' ' ' TRP . 15.3 t0 -161.05 171.77 18.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.56 ' HG3' ' CD1' ' A' ' 32' ' ' TYR . 2.5 tttm -156.05 139.52 15.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.425 ' N ' ' HG2' ' A' ' 22' ' ' LYS . 0.2 OUTLIER -156.8 174.7 15.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.378 1.049 . . . . 0.0 110.344 179.902 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 0.6 OUTLIER -118.69 157.18 27.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.454 ' ND2' ' OE2' ' A' ' 31' ' ' GLU . 28.9 m-20 -95.11 170.1 9.64 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.558 1.162 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.01 -33.0 64.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.67 -33.32 72.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.138 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 111.37 19.2 7.64 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.483 1.114 . . . . 0.0 110.956 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -84.37 135.81 34.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.556 0.798 . . . . 0.0 109.289 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.442 HG23 ' HE2' ' A' ' 22' ' ' LYS . 51.4 m -76.95 122.11 24.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.095 . . . . 0.0 110.359 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.454 ' OE2' ' ND2' ' A' ' 25' ' ' ASN . 2.2 mp0 -120.63 124.88 46.32 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.514 1.134 . . . . 0.0 110.298 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.56 ' CD1' ' HG3' ' A' ' 22' ' ' LYS . 54.0 m-85 -109.55 126.37 53.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.991 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.67 HD23 ' HB ' ' A' ' 20' ' ' VAL . 4.4 tp -73.48 113.17 10.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.626 HG22 ' CE2' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -125.34 147.55 30.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.341 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.553 ' C ' ' CG ' ' A' ' 36' ' ' TRP . 10.5 mtm180 -90.84 175.38 7.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.262 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.626 ' CE2' HG22 ' A' ' 34' ' ' VAL . 1.9 m95 -162.7 164.51 26.41 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.28 144.69 37.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.94 -38.57 3.17 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -89.05 114.1 25.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 0.776 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.417 ' N ' ' HB2' ' A' ' 43' ' ' ASP . 57.3 m-20 -51.34 178.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.404 ' O ' ' CG ' ' A' ' 44' ' ' ASP . 5.0 t -67.33 -34.08 76.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.049 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.54 6.83 39.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.417 ' HB2' ' N ' ' A' ' 40' ' ' ASP . 0.7 OUTLIER -107.62 -8.24 16.21 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.404 ' CG ' ' O ' ' A' ' 41' ' ' SER . 10.7 m-20 -40.06 156.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.586 1.179 . . . . 0.0 109.294 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 69.8 p -122.38 162.31 21.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.418 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.553 ' CH2' ' HB3' ' A' ' 21' ' ' ASP . 68.7 m95 -106.94 101.34 10.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.629 1.206 . . . . 0.0 108.02 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -94.58 149.23 36.21 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 0.0 110.356 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.509 ' HG2' ' CG ' ' A' ' 51' ' ' HIS . 18.2 Cg_endo -74.98 159.67 41.14 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.542 1.811 . . . . 0.0 110.98 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -73.58 -27.62 61.41 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 110.238 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -72.68 -24.75 61.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 110.369 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.509 ' CG ' ' HG2' ' A' ' 48' ' ' PRO . 10.0 m170 -85.79 -28.62 24.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.553 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.637 ' CD2' HG21 ' A' ' 16' ' ' VAL . 45.3 mt -78.56 63.66 3.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 52.8 t -88.48 141.23 14.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.359 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 64.3 13.2 7.8 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 87.0 m -123.68 8.26 8.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 108.323 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.595 ' HA ' HD12 ' A' ' 59' ' ' ILE . 1.3 mt-10 -54.62 -28.56 47.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.31 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -44.61 -67.46 0.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.265 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -49.41 -53.32 23.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.563 1.164 . . . . 0.0 110.941 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.595 HD12 ' HA ' ' A' ' 56' ' ' GLU . 21.1 mt -48.18 -45.84 13.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -59.55 -45.74 90.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.66 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -63.08 -36.25 82.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.285 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.557 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 61.3 t80 -72.18 -26.38 62.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.973 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -88.69 -30.99 18.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.248 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.436 ' HG3' ' N ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -85.07 -26.97 26.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.264 -179.909 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.436 ' N ' ' HG3' ' A' ' 64' ' ' ARG . 3.1 mmm180 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.277 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.234 0 N-CA-C 110.34 -0.245 . . . . 0.0 110.34 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.63 HG22 HG21 ' A' ' 34' ' ' VAL . 16.7 t -55.28 126.07 11.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.576 1.173 . . . . 0.0 109.272 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -85.55 -48.7 8.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 110.287 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.422 ' O ' ' HA ' ' A' ' 34' ' ' VAL . 7.2 ptm180 177.65 164.27 0.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.362 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.572 ' HB ' ' CD1' ' A' ' 62' ' ' PHE . 4.1 mm -93.52 127.68 45.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.577 1.173 . . . . 0.0 109.328 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.611 ' HB ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -104.89 -15.58 8.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.556 1.16 . . . . 0.0 109.321 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.45 ' N ' ' HB3' ' A' ' 33' ' ' LEU . 17.9 t0 -173.44 179.52 2.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.576 ' HG3' ' CD2' ' A' ' 32' ' ' TYR . 0.7 OUTLIER -172.27 131.7 0.62 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.236 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.4 ptp85 -150.94 179.85 7.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 110.289 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.447 ' CG ' ' HA2' ' A' ' 28' ' ' GLY . 19.1 ttpt -108.74 151.66 25.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.234 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -90.04 -179.9 5.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.06 -44.57 95.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.84 -29.23 70.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.349 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.447 ' HA2' ' CG ' ' A' ' 24' ' ' LYS . . . 111.57 24.12 5.42 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.487 1.117 . . . . 0.0 111.03 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.85 138.61 31.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 0.776 . . . . 0.0 109.358 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.488 HG22 ' CE1' ' A' ' 32' ' ' TYR . 16.0 m -84.09 123.53 30.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.125 . . . . 0.0 110.373 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -123.96 129.02 50.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 110.29 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.759 ' CE2' HG23 ' A' ' 59' ' ' ILE . 71.4 m-85 -109.83 130.92 55.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.762 HD13 ' CE2' ' A' ' 46' ' ' TRP . 20.2 tp -75.27 107.82 7.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.645 HG22 ' CE2' ' A' ' 36' ' ' TRP . 0.2 OUTLIER -123.84 140.12 48.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.543 1.152 . . . . 0.0 109.319 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.523 ' C ' ' CG ' ' A' ' 36' ' ' TRP . 7.2 mmm180 -85.72 173.91 9.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.275 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.645 ' CE2' HG22 ' A' ' 34' ' ' VAL . 2.4 m95 -161.13 160.06 29.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 108.021 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.8 pttt -67.86 146.81 53.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.36 -43.08 3.17 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.485 1.116 . . . . 0.0 110.957 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -82.8 117.27 22.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 110.99 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -57.9 -167.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.0 t -75.33 -36.98 60.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.981 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -86.94 -3.92 59.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.57 1.169 . . . . 0.0 110.328 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.32 -14.67 25.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 109.266 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -40.7 159.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.115 . . . . 0.0 109.257 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.45 ' OG1' ' N ' ' A' ' 46' ' ' TRP . 0.8 OUTLIER -129.92 173.76 10.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.406 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.762 ' CE2' HD13 ' A' ' 33' ' ' LEU . 83.9 m95 -111.87 123.64 50.67 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.915 -1.142 . . . . 0.0 107.915 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -118.89 139.14 26.85 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 110.335 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.479 ' HA ' ' O ' ' A' ' 30' ' ' THR . 18.2 Cg_endo -74.99 134.79 18.26 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.448 1.762 . . . . 0.0 110.959 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -39.6 -46.89 1.87 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -49.66 -44.48 47.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.272 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.47 ' CG ' ' HG2' ' A' ' 48' ' ' PRO . 24.8 m170 -74.05 -22.17 59.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.57 1.169 . . . . 0.0 109.641 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.535 HD21 HG11 ' A' ' 34' ' ' VAL . 22.7 mt -91.6 66.49 5.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.085 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.9 m -79.11 143.46 12.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.242 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 63.12 16.28 9.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.417 ' O ' ' C ' ' A' ' 56' ' ' GLU . 5.0 t -100.73 -14.83 17.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 108.344 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 55' ' ' CYS . 10.4 mt-10 -36.78 -43.77 0.45 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 110.337 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -47.86 -56.72 6.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 110.273 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -61.21 -54.62 41.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.57 1.169 . . . . 0.0 111.035 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.759 HG23 ' CE2' ' A' ' 32' ' ' TYR . 12.9 mt -50.48 -54.5 8.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.593 1.183 . . . . 0.0 109.252 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -43.73 -62.86 0.97 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.593 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -51.75 -52.3 49.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.572 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 9.4 t80 -53.12 -40.24 64.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 110.975 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.6 -34.68 78.83 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -70.35 -59.62 2.75 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.53 1.144 . . . . 0.0 110.301 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.297 -0.261 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.817 HG22 ' CH2' ' A' ' 36' ' ' TRP . 11.2 t -61.59 122.77 13.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.414 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 11.5 tt0 -77.94 -49.85 13.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.414 ' HB3' ' O ' ' A' ' 17' ' ' GLU . 14.8 ptp180 177.68 167.26 0.68 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.107 . . . . 0.0 110.29 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.622 HD12 ' HB3' ' A' ' 32' ' ' TYR . 4.6 mm -96.12 128.19 47.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.421 1.076 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.612 ' HB ' HD23 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -104.38 -14.52 8.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.567 ' HB3' ' CH2' ' A' ' 46' ' ' TRP . 3.7 t0 -169.35 167.79 9.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.574 ' HG3' ' CD1' ' A' ' 32' ' ' TYR . 1.9 tttm -155.63 138.3 15.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.415 ' N ' ' HG2' ' A' ' 22' ' ' LYS . 0.7 OUTLIER -157.1 174.73 15.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 110.215 -179.918 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -106.97 152.97 23.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -83.83 177.13 8.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.331 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.68 -37.26 79.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.118 . . . . 0.0 109.287 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -70.39 -36.16 73.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 122.08 38.23 0.61 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -105.18 139.53 39.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.571 0.807 . . . . 0.0 109.248 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.466 ' O ' ' HA ' ' A' ' 48' ' ' PRO . 17.7 m -79.15 121.55 25.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.385 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -113.73 145.04 41.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.293 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.622 ' HB3' HD12 ' A' ' 19' ' ' ILE . 39.9 m-85 -130.38 113.2 14.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 111.016 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.612 HD23 ' HB ' ' A' ' 20' ' ' VAL . 3.4 tp -67.93 116.22 8.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.58 1.175 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.626 HG22 ' CE2' ' A' ' 36' ' ' TRP . 0.2 OUTLIER -122.43 123.21 68.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.445 ' CD ' ' O ' ' A' ' 35' ' ' ARG . 0.1 OUTLIER -84.68 119.29 25.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.817 ' CH2' HG22 ' A' ' 16' ' ' VAL . 0.7 OUTLIER -108.83 175.61 5.4 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.45 161.14 28.9 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.574 1.171 . . . . 0.0 109.334 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.4 -51.5 3.95 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.503 1.127 . . . . 0.0 110.986 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -71.79 120.93 18.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 0.756 . . . . 0.0 111.039 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.419 ' N ' ' HB2' ' A' ' 43' ' ' ASP . 2.9 m-20 -50.84 -179.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.204 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.56 -47.53 72.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 109.943 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -89.52 20.55 3.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 110.24 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.419 ' HB2' ' N ' ' A' ' 40' ' ' ASP . 0.4 OUTLIER -110.6 -20.94 12.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.568 1.168 . . . . 0.0 109.246 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -40.03 153.47 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.564 1.165 . . . . 0.0 109.292 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 22.0 p -110.93 179.33 4.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.439 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.567 ' CH2' ' HB3' ' A' ' 21' ' ' ASP . 65.0 m95 -118.2 116.99 27.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 108.011 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.424 ' OE1' ' CZ2' ' A' ' 36' ' ' TRP . 5.8 mt-10 -114.13 134.1 22.26 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 110.24 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.531 ' HG2' ' CD2' ' A' ' 51' ' ' HIS . 18.4 Cg_endo -74.98 143.67 29.41 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.542 1.811 . . . . 0.0 111.042 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.451 ' HG2' HD13 ' A' ' 59' ' ' ILE . 0.1 OUTLIER -45.6 -49.58 13.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 110.29 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -50.69 -25.81 4.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 110.32 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.531 ' CD2' ' HG2' ' A' ' 48' ' ' PRO . 14.2 m170 -89.99 -31.05 17.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.551 1.157 . . . . 0.0 109.622 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.786 HD22 HG21 ' A' ' 16' ' ' VAL . 57.2 mt -81.92 54.71 2.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.348 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.1 m -69.17 145.74 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.332 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 57.53 19.07 5.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 84.9 m -123.91 10.44 8.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 108.316 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -53.64 -35.97 61.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -45.53 -67.36 0.29 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.326 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -47.04 -59.37 3.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 110.994 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.572 HG23 ' CE1' ' A' ' 32' ' ' TYR . 16.8 mt -45.97 -47.67 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -57.53 -46.44 83.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.38 1.05 . . . . 0.0 109.593 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -61.6 -51.92 66.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.567 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 7.3 t80 -54.3 -39.79 67.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.429 1.081 . . . . 0.0 110.934 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.33 -51.99 67.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.338 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.0 mmt85 -55.84 -55.4 32.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 0.0 110.239 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.1 mmm180 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 -179.953 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.902 HG22 HG21 ' A' ' 34' ' ' VAL . 4.4 t -50.87 121.02 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -76.93 -49.39 15.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.441 ' O ' ' HA ' ' A' ' 34' ' ' VAL . 14.3 ptp180 178.35 164.45 0.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.255 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.571 ' HB ' ' CD1' ' A' ' 62' ' ' PHE . 4.9 mm -92.33 127.79 44.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.125 . . . . 0.0 109.247 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.622 ' HB ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -104.57 -18.21 6.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.452 ' N ' ' HB3' ' A' ' 33' ' ' LEU . 25.0 t0 -169.92 177.17 4.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.431 1.082 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.582 ' HG3' ' CE1' ' A' ' 32' ' ' TYR . 0.3 OUTLIER -163.78 137.69 5.68 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.435 1.084 . . . . 0.0 109.29 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.409 ' N ' ' HG2' ' A' ' 22' ' ' LYS . 7.8 mtt180 -158.84 -179.51 8.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.312 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.2 ttmt -119.03 158.8 25.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.575 1.172 . . . . 0.0 109.355 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.1 m-20 -95.62 179.18 5.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.261 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -36.06 79.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.604 1.19 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.31 -34.55 76.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 115.31 13.87 8.69 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.8 mmmt -78.31 134.74 37.45 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.472 0.748 . . . . 0.0 109.281 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.522 HG22 ' CE2' ' A' ' 32' ' ' TYR . 5.8 m -78.96 129.34 34.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 110.38 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.1 mp0 -126.3 140.01 52.86 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.435 1.084 . . . . 0.0 110.32 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.72 ' CE1' HG23 ' A' ' 59' ' ' ILE . 72.9 m-85 -124.08 127.43 47.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.622 HD23 ' HB ' ' A' ' 20' ' ' VAL . 17.4 tp -73.14 109.11 6.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.343 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.902 HG21 HG22 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -121.35 144.36 30.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.145 . . . . 0.0 109.334 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.575 ' O ' ' CD2' ' A' ' 36' ' ' TRP . 0.0 OUTLIER -85.21 176.74 8.17 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 0.0 110.258 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.623 ' CE2' HG22 ' A' ' 34' ' ' VAL . 3.9 m95 -162.09 156.82 22.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 108.048 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -94.15 142.52 27.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.164 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 110.69 -56.16 0.47 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.451 1.095 . . . . 0.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.619 ' CE2' ' O ' ' A' ' 40' ' ' ASP . 0.5 OUTLIER -86.49 172.48 10.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.405 0.709 . . . . 0.0 110.996 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.619 ' O ' ' CE2' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -105.52 134.11 49.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.403 1.064 . . . . 0.0 109.272 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 40' ' ' ASP . 11.0 t -38.62 -31.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.375 1.047 . . . . 0.0 110.011 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 40' ' ' ASP . 9.2 mt-10 -49.87 -30.18 9.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.271 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.83 42.38 1.42 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.566 1.166 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.506 ' HB2' HD11 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -46.65 171.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.215 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.454 ' OG1' ' NE1' ' A' ' 36' ' ' TRP . 6.7 p -141.75 132.55 25.77 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.514 1.134 . . . . 0.0 110.35 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 89.9 m95 -97.23 88.27 4.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.566 1.166 . . . . 0.0 108.036 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -85.58 135.27 38.55 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 110.283 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.488 ' HG2' ' CG ' ' A' ' 51' ' ' HIS . 18.2 Cg_endo -75.0 138.51 23.12 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.464 1.77 . . . . 0.0 110.945 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.416 ' HG3' ' CE2' ' A' ' 32' ' ' TYR . 0.3 OUTLIER -39.63 -47.02 1.91 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -49.13 -45.52 43.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.263 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.488 ' CG ' ' HG2' ' A' ' 48' ' ' PRO . 25.9 m170 -72.94 -22.87 60.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 109.579 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.492 HD22 HG21 ' A' ' 16' ' ' VAL . 21.0 mt -91.85 70.38 5.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.481 HG12 ' CG ' ' A' ' 54' ' ' ASN . 84.5 t -80.13 143.05 13.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.481 ' CG ' HG12 ' A' ' 53' ' ' VAL . 5.1 m120 62.79 14.86 7.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.402 ' O ' ' C ' ' A' ' 56' ' ' GLU . 6.7 t -95.42 -14.43 23.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 108.234 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 55' ' ' CYS . 0.9 OUTLIER -37.7 -46.97 0.94 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -45.83 -54.32 8.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.33 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -63.76 -57.65 9.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 0.0 110.975 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.72 HG23 ' CE1' ' A' ' 32' ' ' TYR . 9.3 mt -48.26 -46.45 13.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.427 1.08 . . . . 0.0 109.294 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -51.48 -62.88 1.35 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.565 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -51.99 -46.29 64.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.571 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 18.9 t80 -58.85 -39.47 81.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.569 1.168 . . . . 0.0 110.959 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -61.23 -40.34 93.65 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -56.93 -54.1 50.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.25 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.0 mmm180 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.312 -179.972 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.9 p -109.41 114.4 28.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 0.75 . . . . 0.0 110.026 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.9 p -113.73 103.56 11.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 110.012 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.89 75.37 0.02 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.465 1.103 . . . . 0.0 111.082 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.2 p -110.92 129.94 55.73 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.461 0.742 . . . . 0.0 110.038 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -66.16 149.33 50.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.138 . . . . 0.0 109.922 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.73 112.14 0.51 Allowed Glycine 0 CA--C 1.532 1.101 0 O-C-N 124.509 1.131 . . . . 0.0 110.974 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 48.04 86.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.573 0.807 . . . . 0.0 110.982 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -119.9 -67.91 0.95 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 49.72 90.19 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.159 . . . . 0.0 109.98 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 44.54 93.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 110.307 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -105.24 158.09 16.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 110.333 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.565 ' O ' ' CD1' ' A' ' 14' ' ' TYR . 0.1 OUTLIER -53.58 -73.41 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.553 1.158 . . . . 0.0 109.257 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.565 ' CD1' ' O ' ' A' ' 13' ' ' LEU . 5.0 m-85 -159.88 133.46 7.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.979 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.95 131.34 43.85 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.113 . . . . 0.0 110.287 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.559 HG22 ' CH2' ' A' ' 36' ' ' TRP . 6.0 t -56.48 120.7 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.401 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 9.1 tt0 -80.43 -51.4 8.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.272 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.405 ' O ' ' HA ' ' A' ' 34' ' ' VAL . 10.0 ptm180 177.4 168.39 0.62 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.575 ' HB ' ' CD1' ' A' ' 62' ' ' PHE . 3.8 mm -97.55 132.61 41.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.137 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.708 ' HB ' HD23 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -112.71 -15.03 10.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -168.26 169.99 10.41 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.458 1.099 . . . . 0.0 109.296 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.581 ' HG3' ' CD1' ' A' ' 32' ' ' TYR . 0.6 OUTLIER -161.6 137.51 7.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.297 -179.932 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.412 ' N ' ' HG2' ' A' ' 22' ' ' LYS . 1.6 ttt180 -159.47 174.62 14.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.288 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 4.3 ttpt -105.15 149.99 25.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.41 1.069 . . . . 0.0 109.318 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.405 ' O ' ' N ' ' A' ' 28' ' ' GLY . 5.1 m-20 -85.73 156.54 20.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.51 -21.14 5.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.273 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -79.71 -31.17 41.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.547 1.155 . . . . 0.0 109.327 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 25' ' ' ASN . . . 114.44 21.9 5.33 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.472 1.107 . . . . 0.0 110.992 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 24' ' ' LYS . 52.3 mmtt -100.44 139.99 35.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 0.778 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.465 HG22 ' CE2' ' A' ' 32' ' ' TYR . 3.8 m -81.56 124.87 29.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 110.389 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -122.38 132.77 54.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.342 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.656 ' CE1' HG23 ' A' ' 59' ' ' ILE . 71.2 m-85 -113.39 129.56 56.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 111.016 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.708 HD23 ' HB ' ' A' ' 20' ' ' VAL . 7.0 tp -75.83 109.62 9.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.627 HG22 ' CE2' ' A' ' 36' ' ' TRP . 0.2 OUTLIER -124.81 144.48 34.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.55 ' O ' ' CG ' ' A' ' 36' ' ' TRP . 0.2 OUTLIER -88.17 172.87 9.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.219 -179.916 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.627 ' CE2' HG22 ' A' ' 34' ' ' VAL . 2.2 m95 -162.04 159.26 26.1 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.4 mttm -61.91 140.96 58.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.59 -38.87 3.16 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.499 1.124 . . . . 0.0 111.045 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -82.11 112.78 19.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 0.762 . . . . 0.0 111.055 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.419 ' N ' ' HB2' ' A' ' 43' ' ' ASP . 83.2 m-20 -61.04 179.87 0.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.297 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.6 p -61.21 -41.59 97.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.047 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -88.22 10.46 19.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.232 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.419 ' HB2' ' N ' ' A' ' 40' ' ' ASP . 0.8 OUTLIER -108.77 -14.62 14.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.413 ' N ' ' OD1' ' A' ' 44' ' ' ASP . 0.9 OUTLIER -40.35 148.11 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 109.248 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 30.1 p -113.86 178.66 4.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.425 1.078 . . . . 0.0 110.39 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.43 ' NE1' HD13 ' A' ' 33' ' ' LEU . 62.4 m95 -118.19 120.21 37.01 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -118.48 137.71 25.03 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.279 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.467 ' HG2' ' CD2' ' A' ' 51' ' ' HIS . 18.2 Cg_endo -75.01 136.26 20.14 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.49 1.784 . . . . 0.0 111.032 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -40.08 -30.6 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 110.315 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.524 ' O ' HG23 ' A' ' 53' ' ' VAL . 7.4 tt0 -60.37 -48.75 80.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 110.365 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.467 ' CD2' ' HG2' ' A' ' 48' ' ' PRO . 17.6 m170 -68.6 -25.16 64.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.617 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.485 HD21 HG11 ' A' ' 34' ' ' VAL . 19.8 mt -85.53 71.87 10.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 50' ' ' GLN . 72.2 t -90.37 132.27 35.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 70.49 21.94 5.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.586 1.179 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 82.5 m -115.15 0.12 13.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 108.269 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -39.58 -47.4 1.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.234 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -42.17 -68.38 0.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.285 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -45.3 -61.83 1.5 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 111.004 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.656 HG23 ' CE1' ' A' ' 32' ' ' TYR . 23.6 mt -47.44 -53.94 3.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.428 1.08 . . . . 0.0 109.341 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -47.44 -57.25 5.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.654 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -54.45 -49.51 69.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.592 1.183 . . . . 0.0 109.293 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.575 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 12.2 t80 -57.88 -40.13 79.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.96 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -63.29 -46.04 88.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.34 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.75 -48.25 63.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.281 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.3 mmm180 -51.73 -58.42 6.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.575 1.172 . . . . 0.0 110.344 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -55.47 -62.06 1.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.571 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 26.0 m -39.28 145.96 0.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.363 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -115.01 117.31 30.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.365 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt 55.67 103.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -160.26 -57.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.563 1.165 . . . . 0.0 110.251 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.57 141.26 29.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.269 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -89.92 145.07 25.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 110.256 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.3 t -88.9 148.4 23.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.035 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -135.7 157.91 23.52 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.438 1.086 . . . . 0.0 110.973 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -179.31 4.87 Favored 'Trans proline' 0 C--N 1.361 1.233 0 O-C-N 124.446 1.761 . . . . 0.0 110.977 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.47 110.54 22.61 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.472 1.108 . . . . 0.0 109.957 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.87 -60.52 2.28 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.113 . . . . 0.0 110.012 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.455 1.097 . . . . 0.0 110.989 -179.997 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 t -101.39 155.15 18.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 0.774 . . . . 0.0 110.037 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -169.29 -58.6 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.482 1.114 . . . . 0.0 109.991 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -38.21 122.1 1.14 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.455 1.097 . . . . 0.0 110.994 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.1 p -168.05 165.34 13.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 0.0 110.031 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.8 p -172.74 146.69 1.66 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 110.014 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.44 -163.11 32.44 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.504 1.128 . . . . 0.0 111.008 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.8 ttt -119.68 110.54 16.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 0.76 . . . . 0.0 111.077 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -150.48 166.99 28.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.292 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.7 t -108.78 96.2 6.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.948 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 70.2 141.48 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 110.259 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -120.22 161.33 21.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.338 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.596 ' O ' ' CD1' ' A' ' 14' ' ' TYR . 0.1 OUTLIER -54.27 -66.74 0.34 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.22 -179.937 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.596 ' CD1' ' O ' ' A' ' 13' ' ' LEU . 11.0 m-85 -160.86 135.35 7.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 111.028 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.89 124.5 31.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 110.299 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.455 HG22 HG21 ' A' ' 34' ' ' VAL . 6.4 t -51.54 119.97 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.223 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.415 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 18.8 tt0 -80.41 -52.13 8.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.266 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.415 ' HB3' ' O ' ' A' ' 17' ' ' GLU . 8.7 ptp180 177.24 167.12 0.59 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.458 1.099 . . . . 0.0 110.327 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.573 ' HB ' ' CD1' ' A' ' 62' ' ' PHE . 4.1 mm -95.54 131.89 41.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.719 ' HB ' HD23 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -111.67 -18.34 7.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.271 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.43 ' HB3' ' CH2' ' A' ' 46' ' ' TRP . 12.5 t0 -165.6 170.08 14.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.583 ' HG3' ' CD1' ' A' ' 32' ' ' TYR . 1.0 OUTLIER -158.57 139.21 12.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.431 ' N ' ' HG2' ' A' ' 22' ' ' LYS . 15.4 mtt85 -162.23 174.77 12.42 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.453 1.096 . . . . 0.0 110.339 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.9 ttpt -104.57 152.0 22.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 29' ' ' LYS . 1.5 m-20 -84.38 171.67 12.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -34.81 78.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.241 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.13 -30.71 67.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 114.41 29.61 2.67 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.486 1.117 . . . . 0.0 110.965 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 25' ' ' ASN . 0.1 OUTLIER -101.8 137.5 40.02 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.471 0.747 . . . . 0.0 109.309 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 17.5 m -80.18 122.19 26.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.429 1.081 . . . . 0.0 110.423 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -121.76 143.39 49.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.756 ' CE1' HG23 ' A' ' 59' ' ' ILE . 69.8 m-85 -120.8 129.14 53.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 111.005 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.719 HD23 ' HB ' ' A' ' 20' ' ' VAL . 7.2 tp -74.0 110.13 8.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.562 1.164 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.632 HG22 ' CE2' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -123.6 145.22 30.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 O-C-N 124.432 1.083 . . . . 0.0 109.318 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.545 ' C ' ' CG ' ' A' ' 36' ' ' TRP . 0.0 OUTLIER -88.67 175.43 7.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.423 1.077 . . . . 0.0 110.341 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.632 ' CE2' HG22 ' A' ' 34' ' ' VAL . 2.0 m95 -162.44 164.34 27.18 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.4 pttt -72.82 131.37 42.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.566 1.166 . . . . 0.0 109.357 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.77 -51.45 0.91 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.482 1.114 . . . . 0.0 110.95 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -64.5 112.91 3.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 0.747 . . . . 0.0 110.973 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.415 ' N ' ' HB2' ' A' ' 43' ' ' ASP . 0.4 OUTLIER -53.29 -176.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 t -66.97 -35.96 81.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 110.03 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -97.93 20.7 11.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.415 ' HB2' ' N ' ' A' ' 40' ' ' ASP . 0.4 OUTLIER -115.24 -8.59 12.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.907 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -41.09 157.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.232 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.442 ' OG1' ' NE1' ' A' ' 36' ' ' TRP . 63.8 p -122.57 162.83 21.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.423 1.077 . . . . 0.0 110.397 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.458 ' NE1' HD13 ' A' ' 33' ' ' LEU . 65.0 m95 -109.41 111.02 22.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 107.993 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -107.17 136.85 19.46 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.133 . . . . 0.0 110.305 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.44 ' O ' ' N ' ' A' ' 51' ' ' HIS . 18.2 Cg_endo -75.03 135.12 18.6 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.492 1.785 . . . . 0.0 110.978 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -39.94 -30.79 0.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 110.197 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.494 ' O ' HG23 ' A' ' 53' ' ' VAL . 6.6 tt0 -59.7 -48.76 80.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.44 ' N ' ' O ' ' A' ' 48' ' ' PRO . 19.4 m170 -70.39 -27.07 64.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.585 1.178 . . . . 0.0 109.578 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 20.9 mt -83.09 67.88 9.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.257 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 50' ' ' GLN . 79.1 t -84.91 142.11 13.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.323 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 60.13 16.1 5.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 73.7 m -111.05 6.82 21.18 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.553 1.158 . . . . 0.0 108.264 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -46.62 -46.66 19.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.425 1.078 . . . . 0.0 110.288 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -40.94 -68.25 0.19 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 110.255 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -43.59 -61.12 1.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 111.061 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.756 HG23 ' CE1' ' A' ' 32' ' ' TYR . 15.1 mt -49.61 -56.73 2.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -44.75 -59.22 2.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.416 1.073 . . . . 0.0 109.588 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -53.4 -51.41 62.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.351 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.573 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 8.8 t80 -54.9 -39.93 69.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 110.943 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -65.11 -47.45 77.11 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 -57.44 -63.91 1.07 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 110.272 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.2 mmt180 -47.42 -54.75 10.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.325 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 -41.23 -68.47 0.18 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 109.559 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 94.3 m -72.08 165.51 24.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.403 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -115.75 86.64 2.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -133.45 148.64 51.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -72.54 108.87 5.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.46 1.1 . . . . 0.0 110.285 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.29 116.41 19.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -65.86 90.96 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.309 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 32.2 t -178.77 93.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.949 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 143.89 158.41 7.57 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.452 1.095 . . . . 0.0 110.981 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 78.99 2.78 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.498 1.789 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.93 138.87 56.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 110.035 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 64.58 93.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.61 1.194 . . . . 0.0 109.99 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.082 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 -179.988 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.8 m -115.85 151.48 35.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 0.751 . . . . 0.0 110.004 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.3 p -145.15 141.07 28.42 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.594 1.184 . . . . 0.0 109.991 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.49 71.71 0.46 Allowed Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.484 1.115 . . . . 0.0 111.068 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.78 80.28 1.86 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.435 0.727 . . . . 0.0 110.016 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.9 p -105.79 129.3 54.01 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.501 1.126 . . . . 0.0 109.935 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.62 -172.61 20.61 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.454 1.096 . . . . 0.0 110.959 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.3 mpp? 49.4 91.66 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.47 0.747 . . . . 0.0 111.005 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -173.64 154.0 2.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.346 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 45.3 t -151.05 -55.18 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.983 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -152.11 28.16 0.59 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -81.87 176.34 9.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 110.295 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -76.93 -78.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -133.14 -165.76 1.66 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -127.75 140.72 51.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.193 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.708 HG22 HG21 ' A' ' 34' ' ' VAL . 2.8 t -69.62 114.99 7.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.269 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.443 ' OE2' ' NH2' ' A' ' 18' ' ' ARG . 10.7 tt0 -68.33 -53.52 23.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.443 ' NH2' ' OE2' ' A' ' 17' ' ' GLU . 9.1 ptp85 177.33 167.22 0.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.567 1.167 . . . . 0.0 110.265 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.571 ' HB ' ' CD1' ' A' ' 62' ' ' PHE . 3.7 mm -96.05 132.44 40.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 0.0 109.356 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.715 ' HB ' HD23 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -112.32 -17.52 8.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -165.15 169.42 16.12 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.459 1.099 . . . . 0.0 109.279 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.568 ' HG3' ' CE1' ' A' ' 32' ' ' TYR . 0.6 OUTLIER -166.98 134.68 2.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.08 174.08 16.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 110.303 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.17 151.41 21.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.108 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.412 ' N ' ' O ' ' A' ' 29' ' ' LYS . 27.2 m-20 -92.07 171.41 9.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.419 ' HG3' ' N ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -59.25 -32.6 70.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.245 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.419 ' N ' ' HG3' ' A' ' 26' ' ' LYS . 7.7 mttp -75.18 -16.38 60.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 109.342 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.32 12.77 40.91 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.477 1.111 . . . . 0.0 111.034 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.412 ' O ' ' N ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -82.61 139.88 33.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 0.801 . . . . 0.0 109.26 -179.918 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.451 ' O ' ' HA ' ' A' ' 48' ' ' PRO . 16.2 m -88.63 122.53 32.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 110.371 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -117.72 137.93 52.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.373 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.579 ' CE1' HG23 ' A' ' 59' ' ' ILE . 45.0 m-85 -116.9 126.23 52.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.715 HD23 ' HB ' ' A' ' 20' ' ' VAL . 7.7 tp -74.48 109.35 7.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.208 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.708 HG21 HG22 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -124.02 143.18 38.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.425 1.078 . . . . 0.0 109.312 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.549 ' O ' ' CG ' ' A' ' 36' ' ' TRP . 20.2 mmm-85 -86.91 175.7 8.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.333 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.631 ' CE2' HG22 ' A' ' 34' ' ' VAL . 2.5 m95 -162.4 155.37 19.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 108.032 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.4 mttm -65.54 141.95 58.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.33 -28.28 8.37 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.428 1.08 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -91.23 131.87 36.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 0.789 . . . . 0.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -70.02 -166.8 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.254 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.13 -43.25 43.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 110.007 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -88.33 14.61 9.15 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.526 1.141 . . . . 0.0 110.314 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.55 -13.28 14.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.09 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.406 ' N ' ' OD1' ' A' ' 44' ' ' ASP . 0.3 OUTLIER -40.68 152.19 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.448 ' OG1' ' NE1' ' A' ' 36' ' ' TRP . 82.5 p -115.46 169.81 8.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.442 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.537 ' NE1' HD13 ' A' ' 33' ' ' LEU . 49.2 m95 -113.31 121.97 46.01 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -118.3 134.89 23.37 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.279 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.451 ' HA ' ' O ' ' A' ' 30' ' ' THR . 18.2 Cg_endo -75.08 136.27 20.01 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.535 1.808 . . . . 0.0 110.987 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.421 ' HG2' HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -41.61 -36.53 0.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.325 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.575 ' O ' HG23 ' A' ' 53' ' ' VAL . 0.5 OUTLIER -57.76 -44.63 86.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.297 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.442 ' N ' ' O ' ' A' ' 48' ' ' PRO . 20.9 m170 -72.88 -30.58 64.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.6 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.634 ' CD2' HG21 ' A' ' 16' ' ' VAL . 20.0 mt -79.48 71.85 6.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.272 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 50' ' ' GLN . 54.2 t -94.47 141.53 14.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 66.72 10.91 7.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 19.8 m -120.82 19.91 11.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 108.321 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -59.55 -31.49 69.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.257 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -49.1 -65.45 0.56 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.286 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -48.52 -56.4 8.43 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.517 1.136 . . . . 0.0 111.037 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.579 HG23 ' CE1' ' A' ' 32' ' ' TYR . 52.3 mt -51.33 -51.72 22.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.44 1.087 . . . . 0.0 109.385 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -51.0 -53.83 29.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.566 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -56.05 -54.87 39.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.571 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 5.5 t80 -53.53 -45.48 69.82 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -57.31 -49.81 74.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.355 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.4 mmt180 -55.82 -54.91 38.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.303 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.5 mmm180 -53.73 -54.06 43.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 110.243 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -55.52 -66.55 0.4 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.592 1.182 . . . . 0.0 109.577 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 96.9 m -55.24 154.89 5.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 110.381 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -81.47 122.61 27.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.346 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.3 mmtt -158.27 147.04 19.0 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -95.76 82.35 3.57 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.476 1.11 . . . . 0.0 110.243 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.36 130.22 50.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.259 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -137.93 121.87 17.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 110.273 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.8 t -113.2 -62.03 1.65 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.005 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 141.17 157.79 7.3 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.559 1.162 . . . . 0.0 111.006 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 163.49 35.12 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.493 1.786 . . . . 0.0 110.974 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.51 119.9 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.42 1.075 . . . . 0.0 110.012 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 87.3 p -141.17 166.81 23.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.022 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.535 1.147 . . . . 0.0 111.044 179.944 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.22 -67.78 0.65 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 0.76 . . . . 0.0 110.0 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.2 p -170.33 169.84 7.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.025 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.43 165.0 0.09 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.498 1.124 . . . . 0.0 110.98 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.0 p -149.95 -58.09 0.19 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.49 0.759 . . . . 0.0 110.062 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.53 170.39 18.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.022 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.8 -144.22 16.78 Favored Glycine 0 CA--C 1.528 0.896 0 O-C-N 124.526 1.141 . . . . 0.0 110.964 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER 58.36 165.14 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.389 0.699 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 62.46 137.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.72 -75.7 0.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.967 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -150.84 127.36 10.77 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.546 1.154 . . . . 0.0 110.342 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -122.64 175.52 6.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.33 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.455 ' O ' ' CD1' ' A' ' 14' ' ' TYR . 0.1 OUTLIER -68.07 -52.3 36.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.257 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.455 ' CD1' ' O ' ' A' ' 13' ' ' LEU . 4.9 m-85 -152.13 -167.14 2.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.955 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -109.15 128.01 54.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.288 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.666 HG22 HG21 ' A' ' 34' ' ' VAL . 4.9 t -66.23 119.59 11.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.41 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 13.6 tt0 -75.84 -51.68 12.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 110.316 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.423 ' CZ ' ' HB3' ' A' ' 18' ' ' ARG . 3.7 ptp180 177.61 166.41 0.65 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 110.303 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.574 ' HB ' ' CD2' ' A' ' 62' ' ' PHE . 4.2 mm -95.46 132.24 40.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.286 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.732 ' HB ' HD23 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -112.37 -15.61 9.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.338 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -167.67 171.83 9.82 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.546 1.154 . . . . 0.0 109.352 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.572 ' HG3' ' CD1' ' A' ' 32' ' ' TYR . 0.8 OUTLIER -167.14 135.67 2.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.251 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.7 -179.68 6.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.263 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.8 ttpt -112.94 162.18 16.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.345 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -111.72 177.91 4.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.271 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.47 -28.05 58.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.0 mtmt -66.67 -40.95 88.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 107.23 17.53 11.42 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.538 1.149 . . . . 0.0 111.004 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.8 mmtp -95.82 139.07 32.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 0.798 . . . . 0.0 109.272 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.416 ' O ' ' HA ' ' A' ' 48' ' ' PRO . 19.0 m -74.77 126.13 30.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.407 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -120.91 142.99 49.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.348 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.663 ' CE1' HG23 ' A' ' 59' ' ' ILE . 51.4 m-85 -125.6 126.26 44.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.936 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.732 HD23 ' HB ' ' A' ' 20' ' ' VAL . 8.1 tp -74.45 110.36 8.68 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.496 1.122 . . . . 0.0 109.222 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.666 HG21 HG22 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -124.44 142.79 40.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 109.268 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.55 ' O ' ' CG ' ' A' ' 36' ' ' TRP . 9.9 mtt180 -85.25 175.63 8.82 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.441 1.088 . . . . 0.0 110.3 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.616 ' CE2' HG22 ' A' ' 34' ' ' VAL . 3.4 m95 -162.18 147.89 13.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.095 . . . . 0.0 108.049 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.5 pttt -68.74 154.22 42.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 109.298 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.84 -40.94 3.06 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.555 1.16 . . . . 0.0 111.014 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -82.22 149.77 27.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 0.748 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -75.08 -177.3 3.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.582 1.176 . . . . 0.0 109.337 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 85.1 p -70.79 -35.57 72.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 110.024 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -92.9 17.72 10.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.325 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -109.15 -12.49 14.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.23 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -40.27 144.5 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.589 1.181 . . . . 0.0 109.338 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 60.8 p -114.82 161.22 18.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 110.454 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.56 ' NE1' HD13 ' A' ' 33' ' ' LEU . 47.1 m95 -104.02 117.62 34.73 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -111.58 136.37 21.06 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.334 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.487 ' HG2' ' CG ' ' A' ' 51' ' ' HIS . 18.1 Cg_endo -75.11 136.57 20.35 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.518 1.799 . . . . 0.0 110.941 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.477 ' HG2' HD13 ' A' ' 59' ' ' ILE . 0.3 OUTLIER -40.79 -39.98 1.23 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.454 1.096 . . . . 0.0 110.325 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.668 ' O ' HG23 ' A' ' 53' ' ' VAL . 5.1 tt0 -55.14 -45.57 75.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.35 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.487 ' CG ' ' HG2' ' A' ' 48' ' ' PRO . 23.9 m170 -69.8 -34.88 74.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 0.0 109.636 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.547 ' CD2' HG21 ' A' ' 16' ' ' VAL . 18.0 mt -75.5 69.91 2.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.426 1.079 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 50' ' ' GLN . 83.3 t -95.08 137.9 22.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.38 1.05 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.504 ' CG ' HG12 ' A' ' 53' ' ' VAL . 3.4 m-80 71.95 6.3 5.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 42.9 m -122.16 13.77 10.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.426 1.079 . . . . 0.0 108.38 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.07 -26.15 59.9 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.441 1.088 . . . . 0.0 110.313 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -48.67 -67.36 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.391 1.057 . . . . 0.0 110.229 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -46.93 -54.31 10.33 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.663 HG23 ' CE1' ' A' ' 32' ' ' TYR . 65.3 mt -49.36 -57.25 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.413 1.071 . . . . 0.0 109.256 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -47.09 -51.98 16.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.612 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -59.39 -51.27 70.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.236 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.574 ' CD2' ' HB ' ' A' ' 19' ' ' ILE . 5.2 t80 -54.45 -42.48 70.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.13 . . . . 0.0 110.952 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -62.08 -50.69 70.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 109.276 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.8 mmt180 -57.68 -52.93 63.4 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.556 1.16 . . . . 0.0 110.339 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 -55.32 -50.1 70.47 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.455 1.097 . . . . 0.0 110.296 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -51.19 -69.91 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.652 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 16.2 p -72.02 178.37 3.81 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.589 1.181 . . . . 0.0 110.52 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -74.24 173.15 10.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 110.245 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.46 174.58 7.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.336 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.7 tm0? -151.04 142.35 23.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.415 1.072 . . . . 0.0 110.336 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.48 157.83 31.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 56.93 163.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.263 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 20.0 m -138.58 -57.57 0.63 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.985 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -117.1 114.06 2.89 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.533 1.146 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -35.03 3.37 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.467 1.772 . . . . 0.0 110.98 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 63.9 m -44.65 -55.63 5.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 110.018 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.87 -56.9 11.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.565 1.165 . . . . 0.0 110.017 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 O-C-N 124.526 1.141 . . . . 0.0 111.014 -179.995 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.3 m 57.99 164.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 0.787 . . . . 0.0 110.048 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t -170.76 -57.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 0.0 109.994 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.46 127.05 0.01 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.95 96.51 0.16 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 0.762 . . . . 0.0 109.954 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -169.78 157.65 7.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 110.006 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.19 103.28 0.33 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.467 1.104 . . . . 0.0 110.972 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -166.51 111.98 0.81 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 0.756 . . . . 0.0 110.976 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -163.99 159.86 21.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.422 1.076 . . . . 0.0 109.337 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.0 m -65.16 -48.94 71.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.574 1.171 . . . . 0.0 109.966 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 54.2 tt0 -178.49 133.55 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.266 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -104.72 166.11 10.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 0.0 110.293 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.601 ' O ' ' CD1' ' A' ' 14' ' ' TYR . 0.1 OUTLIER -53.93 -62.79 1.43 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.444 1.09 . . . . 0.0 109.296 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.601 ' CD1' ' O ' ' A' ' 13' ' ' LEU . 9.8 m-85 -160.99 134.77 6.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.46 1.1 . . . . 0.0 111.075 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -114.27 138.85 49.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.243 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.571 HG21 HD22 ' A' ' 52' ' ' LEU . 5.2 t -57.8 121.4 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 109.257 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.407 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 9.7 tt0 -80.83 -50.81 9.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.262 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.407 ' HB3' ' O ' ' A' ' 17' ' ' GLU . 2.2 ptm85 177.49 169.3 0.63 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.305 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.578 ' HB ' ' CD1' ' A' ' 62' ' ' PHE . 3.9 mm -96.99 128.53 48.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.682 ' HB ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -107.41 -17.83 7.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.296 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.523 ' HB3' ' CH2' ' A' ' 46' ' ' TRP . 4.0 t0 -166.68 172.45 10.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.562 ' HD2' ' CE1' ' A' ' 32' ' ' TYR . 0.4 OUTLIER -162.27 138.12 7.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.564 ' HG2' ' CZ3' ' A' ' 46' ' ' TRP . 6.9 ptp180 -154.63 172.7 17.44 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 110.328 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.9 ttpt -109.26 150.46 27.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.362 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.419 ' ND2' ' HG3' ' A' ' 31' ' ' GLU . 4.9 m-20 -86.47 159.05 19.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -53.51 -32.4 50.25 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.418 ' N ' ' HG3' ' A' ' 26' ' ' LYS . 0.6 OUTLIER -70.5 -29.4 65.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.294 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 112.32 22.72 5.74 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.503 1.127 . . . . 0.0 110.96 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.9 mmtt -95.39 140.33 30.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.591 0.818 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.442 ' O ' ' HA ' ' A' ' 48' ' ' PRO . 24.4 m -80.31 135.25 36.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.457 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.419 ' HG3' ' ND2' ' A' ' 25' ' ' ASN . 1.5 mt-10 -132.15 125.43 31.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.421 1.076 . . . . 0.0 110.267 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.63 ' CE1' HG23 ' A' ' 59' ' ' ILE . 46.9 m-85 -110.73 123.72 50.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 110.933 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.682 HD23 ' HB ' ' A' ' 20' ' ' VAL . 4.7 tp -73.47 114.74 12.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.255 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.627 HG22 ' CE2' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -126.66 144.3 37.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.385 1.053 . . . . 0.0 109.33 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.512 ' C ' ' CG ' ' A' ' 36' ' ' TRP . 1.7 mtt180 -88.49 170.78 10.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.6 1.187 . . . . 0.0 110.259 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.627 ' CE2' HG22 ' A' ' 34' ' ' VAL . 1.6 m95 -160.09 166.13 30.44 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -73.81 141.79 46.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.602 1.189 . . . . 0.0 109.303 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.0 -41.43 2.91 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -80.08 113.26 18.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 0.783 . . . . 0.0 111.018 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.79 -171.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.69 -36.89 76.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.582 1.176 . . . . 0.0 110.043 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -92.63 4.13 54.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.276 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.99 -14.4 17.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -44.92 155.31 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.45 ' OG1' ' N ' ' A' ' 46' ' ' TRP . 1.1 t -121.74 174.13 7.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.374 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.58 ' NE1' HD13 ' A' ' 33' ' ' LEU . 42.5 m95 -114.98 133.96 55.59 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -126.74 138.92 33.53 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 110.312 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.502 ' HG2' ' CG ' ' A' ' 51' ' ' HIS . 18.0 Cg_endo -75.06 139.77 24.51 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.466 1.772 . . . . 0.0 110.975 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.483 ' HG2' HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -45.89 -52.92 10.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 110.293 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -51.27 -23.63 3.71 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.487 1.117 . . . . 0.0 110.331 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.502 ' CG ' ' HG2' ' A' ' 48' ' ' PRO . 6.6 m170 -92.51 -25.99 18.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 109.621 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.571 HD22 HG21 ' A' ' 16' ' ' VAL . 63.3 mt -83.82 53.08 2.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.373 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.401 ' H ' HG13 ' A' ' 53' ' ' VAL . 1.0 OUTLIER -69.99 145.23 13.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.152 . . . . 0.0 109.197 -179.923 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 60.78 15.68 6.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 42.1 m -123.92 3.99 8.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 108.332 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.8 -37.23 18.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.241 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -44.97 -68.66 0.18 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 110.27 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -45.23 -55.17 6.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.979 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.63 HG23 ' CE1' ' A' ' 32' ' ' TYR . 37.7 mt -50.89 -56.99 3.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -46.31 -52.83 11.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 109.519 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -58.08 -52.58 64.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.339 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.578 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 12.6 t80 -55.5 -38.79 69.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 111.046 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -64.13 -47.21 80.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.412 1.07 . . . . 0.0 109.298 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.93 -47.34 64.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.337 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.425 ' NH1' ' HB3' ' A' ' 65' ' ' ARG . 0.6 OUTLIER -53.5 -57.25 11.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.312 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 20.5 t-80 -60.28 -63.27 1.36 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.577 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.6 m -48.16 151.81 0.94 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.443 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -86.9 114.42 23.52 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.551 1.157 . . . . 0.0 110.258 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.4 161.87 32.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.427 1.08 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -76.87 135.04 38.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 110.268 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.59 74.28 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -156.9 151.84 26.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.581 1.176 . . . . 0.0 110.273 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.7 p -177.71 153.27 0.85 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 110.04 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -124.16 152.46 17.32 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.494 1.121 . . . . 0.0 110.976 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 125.86 9.6 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.521 1.8 . . . . 0.0 111.001 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 82.5 p -101.9 156.71 17.35 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.416 1.072 . . . . 0.0 110.033 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.1 t -110.42 103.76 12.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.435 1.084 . . . . 0.0 110.073 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.051 0 O-C-N 124.493 1.12 . . . . 0.0 110.915 -179.946 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -128.82 -58.41 1.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 0.774 . . . . 0.0 110.03 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.5 m -150.48 -58.33 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.597 1.186 . . . . 0.0 109.996 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.72 -109.68 2.68 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.489 1.118 . . . . 0.0 111.029 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 74.75 -57.98 0.59 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 0.745 . . . . 0.0 109.997 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.67 127.45 53.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.014 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.36 -81.25 0.4 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.467 1.104 . . . . 0.0 110.975 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 59.3 149.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 0.732 . . . . 0.0 111.022 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 44.12 91.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.352 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.73 117.78 20.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.421 1.076 . . . . 0.0 110.063 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 60.91 128.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 110.289 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -107.66 172.82 6.62 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 110.243 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.591 ' O ' ' CD1' ' A' ' 14' ' ' TYR . 0.1 OUTLIER -68.25 -56.36 8.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.591 ' CD1' ' O ' ' A' ' 13' ' ' LEU . 34.9 m-85 -163.06 138.26 6.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 111.066 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -129.6 140.28 51.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.301 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.653 HG22 HG21 ' A' ' 34' ' ' VAL . 8.6 t -53.84 121.39 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.169 . . . . 0.0 109.306 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.452 ' OE2' ' NH1' ' A' ' 18' ' ' ARG . 11.1 tt0 -76.45 -50.5 13.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 110.257 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.452 ' NH1' ' OE2' ' A' ' 17' ' ' GLU . 9.4 ptp85 177.71 165.22 0.65 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.49 1.119 . . . . 0.0 110.334 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.566 ' HB ' ' CD1' ' A' ' 62' ' ' PHE . 4.0 mm -94.48 129.83 44.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.765 ' HB ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -107.77 -14.04 9.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.462 ' N ' ' HB3' ' A' ' 33' ' ' LEU . 5.7 t70 -174.88 177.02 2.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.147 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.58 ' HG3' ' CD2' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -169.45 132.57 1.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.8 mtp180 -151.12 -179.15 7.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.282 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -104.72 148.28 26.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.252 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 29' ' ' LYS . 1.1 t-20 -81.77 173.28 12.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.75 -33.49 76.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -74.06 -28.13 61.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 114.41 21.8 5.38 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.427 1.08 . . . . 0.0 111.025 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 25' ' ' ASN . 15.3 mmtp -92.77 140.93 29.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 0.755 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 42.4 m -82.78 131.8 35.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.09 . . . . 0.0 110.398 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.3 mp0 -131.51 146.25 52.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.301 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.723 ' CE2' HG23 ' A' ' 59' ' ' ILE . 73.0 m-85 -125.61 131.87 52.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.765 HD23 ' HB ' ' A' ' 20' ' ' VAL . 17.9 tp -75.28 107.81 7.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.346 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.653 HG21 HG22 ' A' ' 16' ' ' VAL . 0.2 OUTLIER -125.14 139.99 49.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.259 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.546 ' O ' ' CG ' ' A' ' 36' ' ' TRP . 3.0 mtm-85 -86.66 175.0 8.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.242 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.638 ' CE2' HG22 ' A' ' 34' ' ' VAL . 2.1 m95 -162.26 160.06 26.38 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.1 mmtt -64.95 156.53 30.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.398 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.98 -51.55 4.1 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.527 1.142 . . . . 0.0 110.976 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -64.64 142.69 58.34 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.567 0.804 . . . . 0.0 110.961 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -71.33 -166.92 0.2 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 109.317 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 t -79.65 -44.74 20.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.996 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -89.63 12.71 16.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.43 1.082 . . . . 0.0 110.274 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -96.87 -12.98 22.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.364 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.47 ' OD2' HD21 ' A' ' 33' ' ' LEU . 12.7 p30 -40.09 142.45 0.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.345 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.688 ' O ' HD12 ' A' ' 33' ' ' LEU . 7.4 p -107.49 -176.01 2.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.113 . . . . 0.0 110.397 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.48 ' CE2' HD13 ' A' ' 33' ' ' LEU . 92.0 m95 -121.28 97.82 5.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.117 . . . . 0.0 108.044 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -95.79 136.79 22.06 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.462 1.101 . . . . 0.0 110.323 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.519 ' HG2' ' CG ' ' A' ' 51' ' ' HIS . 18.0 Cg_endo -75.07 135.72 19.32 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.479 1.778 . . . . 0.0 110.982 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.424 ' HG3' ' CE1' ' A' ' 32' ' ' TYR . 0.3 OUTLIER -38.86 -46.3 1.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -49.68 -46.55 50.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.57 1.169 . . . . 0.0 110.285 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.519 ' CG ' ' HG2' ' A' ' 48' ' ' PRO . 28.9 m170 -71.28 -24.28 62.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.085 . . . . 0.0 109.623 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.582 HD21 HG11 ' A' ' 34' ' ' VAL . 18.5 mt -89.5 67.99 7.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.509 HG12 ' CG ' ' A' ' 54' ' ' ASN . 82.9 t -78.03 141.67 15.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.509 ' CG ' HG12 ' A' ' 53' ' ' VAL . 4.1 m120 61.88 23.36 13.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.112 . . . . 0.0 109.252 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.416 ' O ' ' C ' ' A' ' 56' ' ' GLU . 8.0 t -104.74 -13.85 15.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 108.223 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 55' ' ' CYS . 3.0 mt-10 -37.18 -43.54 0.51 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 110.272 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -48.41 -60.18 2.88 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.503 1.127 . . . . 0.0 110.334 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -58.57 -55.55 33.63 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.457 1.098 . . . . 0.0 111.051 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.723 HG23 ' CE2' ' A' ' 32' ' ' TYR . 11.7 mt -49.88 -54.31 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -45.24 -57.93 3.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 109.591 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -54.98 -49.18 72.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.566 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 14.1 t80 -57.52 -38.05 74.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -63.49 -41.86 98.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 109.258 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.93 -51.46 69.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.231 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.9 mmm-85 -50.69 -57.77 7.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.32 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -53.07 -64.3 0.86 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.155 . . . . 0.0 109.612 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 66.4 p -61.23 177.18 0.38 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.583 1.177 . . . . 0.0 110.407 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -120.77 166.64 13.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.081 . . . . 0.0 110.278 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -138.75 78.68 1.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.426 1.079 . . . . 0.0 109.295 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 8.8 mp0 64.3 -77.58 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.125 . . . . 0.0 110.285 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -127.67 118.43 23.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -158.55 77.22 0.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.286 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 93.2 p -142.9 166.94 23.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 109.994 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 160.69 157.37 8.67 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.51 1.131 . . . . 0.0 111.064 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 129.24 12.14 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.437 1.756 . . . . 0.0 111.014 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.56 91.38 0.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.017 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 36.2 t -92.96 107.7 19.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.02 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.493 1.121 . . . . 0.0 110.996 179.968 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.075 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.15 103.64 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 0.794 . . . . 0.0 110.001 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.4 p -164.59 -58.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.048 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.63 118.19 0.05 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -122.54 84.2 2.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 0.802 . . . . 0.0 109.99 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m -104.48 165.02 11.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.991 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.01 -155.3 20.65 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.469 1.106 . . . . 0.0 111.075 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.5 tmm? -144.6 118.99 9.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 0.789 . . . . 0.0 110.973 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -157.04 84.75 0.94 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 72.9 m 63.76 163.82 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.979 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -101.58 98.41 8.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 110.295 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.85 155.71 37.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.275 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.596 ' O ' ' CD1' ' A' ' 14' ' ' TYR . 0.1 OUTLIER -53.43 -67.45 0.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.334 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.596 ' CD1' ' O ' ' A' ' 13' ' ' LEU . 6.0 m-85 -159.72 133.32 7.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.403 1.064 . . . . 0.0 111.029 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -85.35 124.79 32.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 110.288 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.477 HG22 HG21 ' A' ' 34' ' ' VAL . 5.5 t -54.8 120.15 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 109.287 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.417 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 17.0 tt0 -80.18 -51.95 8.35 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.456 1.098 . . . . 0.0 110.254 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.417 ' HB3' ' O ' ' A' ' 17' ' ' GLU . 15.6 ptp180 177.15 164.66 0.53 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 110.348 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.586 HD12 ' HB3' ' A' ' 32' ' ' TYR . 4.4 mm -92.75 132.66 36.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.422 1.076 . . . . 0.0 109.349 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.694 ' HB ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -112.62 -14.3 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.476 ' HB3' ' CH2' ' A' ' 46' ' ' TRP . 17.1 t0 -169.98 169.06 8.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.565 ' HG3' ' CD1' ' A' ' 32' ' ' TYR . 0.6 OUTLIER -160.41 130.37 5.23 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.504 1.127 . . . . 0.0 109.247 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.561 ' HG2' ' CZ3' ' A' ' 46' ' ' TRP . 6.0 ptt180 -153.11 -179.05 7.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 0.7 OUTLIER -116.91 155.61 28.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.237 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -91.9 178.29 5.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.15 -34.06 73.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.42 1.075 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -69.75 -32.56 71.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.331 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 110.7 15.45 11.06 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 24' ' ' LYS . 9.3 mmmt -80.9 136.35 36.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 0.785 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.455 ' O ' ' HA ' ' A' ' 48' ' ' PRO . 54.4 m -78.63 128.96 34.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 110.371 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -129.64 137.69 50.8 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 110.34 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.706 ' CE1' HG23 ' A' ' 59' ' ' ILE . 60.6 m-85 -117.88 124.17 47.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 110.922 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.694 HD23 ' HB ' ' A' ' 20' ' ' VAL . 6.2 tp -71.94 111.35 7.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.254 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.632 HG22 ' CE2' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -120.99 151.57 24.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.358 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.559 ' C ' ' CG ' ' A' ' 36' ' ' TRP . 0.3 OUTLIER -95.52 176.38 6.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.262 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.879 ' HE1' HG22 ' A' ' 45' ' ' THR . 1.6 m95 -162.75 175.61 11.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.159 . . . . 0.0 107.933 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -80.03 144.33 33.31 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.41 -42.26 3.13 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.47 1.106 . . . . 0.0 111.004 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -80.44 118.11 21.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 0.767 . . . . 0.0 111.02 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -51.19 178.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.484 ' OG ' ' CZ ' ' A' ' 35' ' ' ARG . 45.6 m -67.37 -29.87 69.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.962 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -95.24 20.08 9.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.258 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 44' ' ' ASP . 0.8 OUTLIER -112.65 -14.39 13.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.271 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.427 ' OD1' ' N ' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -40.21 126.84 2.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.879 HG22 ' HE1' ' A' ' 36' ' ' TRP . 6.9 t -83.67 -175.87 6.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 110.39 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.561 ' CZ3' ' HG2' ' A' ' 23' ' ' ARG . 76.3 m95 -123.41 100.55 6.88 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -102.25 136.7 19.38 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 110.305 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.536 ' HG2' ' CD2' ' A' ' 51' ' ' HIS . 18.5 Cg_endo -74.95 139.5 24.5 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.436 1.756 . . . . 0.0 111.039 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.4 ' HG2' HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -42.98 -28.18 0.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.423 ' O ' HG23 ' A' ' 53' ' ' VAL . 2.6 tt0 -65.21 -44.12 89.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.251 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.536 ' CD2' ' HG2' ' A' ' 48' ' ' PRO . 20.7 m170 -73.43 -29.59 62.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 109.59 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.447 ' CD1' ' HB2' ' A' ' 32' ' ' TYR . 25.1 mt -81.51 67.32 7.42 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.472 1.108 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 50' ' ' GLN . 72.8 t -81.99 142.71 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 22.7 m-20 55.89 27.29 10.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 59.5 m -121.66 2.68 10.11 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.451 1.094 . . . . 0.0 108.281 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.44 -38.23 8.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.429 1.08 . . . . 0.0 110.293 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -42.34 -66.34 0.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 110.307 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -52.24 -59.93 3.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.963 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.706 HG23 ' CE1' ' A' ' 32' ' ' TYR . 25.0 mt -45.43 -51.08 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -49.89 -59.71 3.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.561 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -53.6 -51.49 62.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.138 . . . . 0.0 109.288 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.573 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 10.5 t80 -55.24 -39.46 69.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 111.065 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -64.02 -36.52 84.25 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.513 1.133 . . . . 0.0 109.254 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.3 mmt85 -70.04 -58.03 4.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.255 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.47 -40.2 62.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 110.302 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -71.85 -64.09 1.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.598 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 64.2 m -55.6 121.87 10.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 110.381 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -80.97 85.44 6.25 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.488 1.118 . . . . 0.0 110.304 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.79 165.26 12.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.225 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 -77.54 146.2 36.48 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.454 1.096 . . . . 0.0 110.286 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 66.09 113.72 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.123 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -164.79 139.69 5.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.277 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 97.2 p -85.31 158.7 20.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.029 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -118.1 -147.49 8.37 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.469 1.106 . . . . 0.0 111.014 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -40.43 0.92 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.563 1.823 . . . . 0.0 110.985 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 39.5 m -49.17 112.27 0.6 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.983 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.41 88.86 0.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.042 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.501 1.125 . . . . 0.0 110.983 -179.993 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.0 p -153.61 138.32 16.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 0.783 . . . . 0.0 109.952 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 43.68 91.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.982 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.55 -168.45 12.25 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.546 1.154 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.7 p -176.53 87.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 0.754 . . . . 0.0 109.958 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.2 t -132.13 130.89 41.74 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.476 1.11 . . . . 0.0 109.964 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.9 76.37 0.12 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.536 1.148 . . . . 0.0 110.997 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.575 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 22.3 mtt -125.24 163.7 21.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 0.788 . . . . 0.0 111.035 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.575 ' HB3' ' O ' ' A' ' 8' ' ' MET . . . 75.41 -62.08 0.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.603 1.189 . . . . 0.0 109.346 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 66.9 m -69.54 137.94 52.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.029 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -139.3 82.53 1.89 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 110.285 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.0 161.08 3.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.29 -53.23 60.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.086 . . . . 0.0 109.342 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -144.25 -166.64 2.42 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.49 1.118 . . . . 0.0 110.99 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -100.54 133.24 45.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.302 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.503 HG22 HG21 ' A' ' 34' ' ' VAL . 7.5 t -64.5 121.98 14.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.412 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 20.1 tt0 -83.28 -51.03 7.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.345 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.412 ' HB3' ' O ' ' A' ' 17' ' ' GLU . 12.2 ptp180 177.52 165.68 0.62 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.57 1.169 . . . . 0.0 110.402 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.572 HD12 ' HB3' ' A' ' 32' ' ' TYR . 4.0 mm -94.95 131.81 40.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.728 ' HB ' HD23 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -111.27 -18.43 7.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.356 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.449 ' HB3' ' CH2' ' A' ' 46' ' ' TRP . 20.0 t0 -164.99 171.88 13.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.572 ' HG3' ' CD1' ' A' ' 32' ' ' TYR . 0.3 OUTLIER -161.49 132.73 5.36 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.438 1.086 . . . . 0.0 109.266 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.93 171.7 17.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.087 . . . . 0.0 110.282 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.1 ttpp -106.81 151.62 24.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.425 ' N ' ' O ' ' A' ' 29' ' ' LYS . 1.9 m-20 -85.31 165.29 17.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.145 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.75 -29.74 68.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.4 -29.21 62.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.544 1.152 . . . . 0.0 109.341 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 113.02 24.67 4.77 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.506 1.129 . . . . 0.0 110.979 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 25' ' ' ASN . 0.1 OUTLIER -98.39 137.22 37.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 0.789 . . . . 0.0 109.343 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.448 ' O ' ' HA ' ' A' ' 48' ' ' PRO . 12.9 m -80.86 131.21 35.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 110.362 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -130.24 130.86 45.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.34 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.765 ' CE1' HG23 ' A' ' 59' ' ' ILE . 68.3 m-85 -111.55 128.01 55.9 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.461 1.1 . . . . 0.0 110.993 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.728 HD23 ' HB ' ' A' ' 20' ' ' VAL . 6.8 tp -73.69 111.04 8.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.503 HG21 HG22 ' A' ' 16' ' ' VAL . 0.2 OUTLIER -126.15 144.59 35.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.153 . . . . 0.0 109.3 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.539 ' O ' ' CG ' ' A' ' 36' ' ' TRP . 0.0 OUTLIER -85.84 174.52 9.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.237 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.539 ' CG ' ' O ' ' A' ' 35' ' ' ARG . 3.6 m95 -161.51 165.0 29.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 107.99 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -75.22 138.3 41.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 0.0 109.278 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.26 -37.44 3.41 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.554 1.159 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -84.06 115.13 22.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 0.774 . . . . 0.0 111.011 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.416 ' N ' ' HB2' ' A' ' 43' ' ' ASP . 1.9 m-20 -53.42 -178.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.9 t -65.72 -41.67 91.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.122 . . . . 0.0 110.069 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -85.26 2.25 44.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 110.25 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.416 ' HB2' ' N ' ' A' ' 40' ' ' ASP . 0.5 OUTLIER -98.57 -8.64 26.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -40.32 144.69 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.368 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.441 ' OG1' ' NE1' ' A' ' 36' ' ' TRP . 72.5 p -110.64 165.78 11.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 110.422 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.491 ' NE1' HD13 ' A' ' 33' ' ' LEU . 64.0 m95 -110.29 116.75 32.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 108.001 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -114.51 135.79 22.31 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.267 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.527 ' HG2' ' CD2' ' A' ' 51' ' ' HIS . 18.1 Cg_endo -74.97 137.48 21.83 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.515 1.797 . . . . 0.0 111.012 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.99 -31.53 0.12 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.537 1.148 . . . . 0.0 110.311 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.506 ' O ' HG23 ' A' ' 53' ' ' VAL . 5.1 tt0 -60.01 -49.31 78.16 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.527 1.142 . . . . 0.0 110.334 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.527 ' CD2' ' HG2' ' A' ' 48' ' ' PRO . 16.5 m170 -69.24 -20.73 63.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.655 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.502 ' CD2' HG21 ' A' ' 16' ' ' VAL . 22.9 mt -90.51 67.49 6.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.409 1.068 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 50' ' ' GLN . 71.3 t -82.55 145.28 8.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 31.5 m-20 52.94 23.82 3.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 109.274 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 85.0 m -116.28 -0.13 12.69 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.49 1.118 . . . . 0.0 108.263 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -41.81 -39.22 1.7 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.327 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -44.16 -68.79 0.17 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.454 1.096 . . . . 0.0 110.321 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -46.36 -61.84 1.62 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 111.01 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.765 HG23 ' CE1' ' A' ' 32' ' ' TYR . 64.1 mt -46.4 -53.12 2.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -47.86 -61.82 1.77 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.535 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -51.16 -48.89 61.76 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.451 1.094 . . . . 0.0 109.269 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.571 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 12.1 t80 -58.04 -39.23 77.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.981 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 59' ' ' ILE . 1.0 OUTLIER -67.2 -37.32 83.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.89 -52.29 66.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 110.285 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.403 ' N ' ' HD2' ' A' ' 65' ' ' ARG . 1.1 mpt_? -53.39 -55.8 21.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.257 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -54.4 -66.06 0.46 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.492 1.12 . . . . 0.0 109.552 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 26.5 m -54.26 150.04 9.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.4 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -56.77 156.61 6.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.292 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.31 166.17 33.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 63.7 155.75 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.135 . . . . 0.0 110.328 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.92 153.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -172.6 161.43 4.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 110.256 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -52.96 100.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.086 . . . . 0.0 110.012 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -173.3 -161.57 23.81 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -53.22 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.508 1.794 . . . . 0.0 111.0 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.28 147.29 1.97 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 110.036 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.3 t -54.34 -58.66 6.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.957 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.506 1.128 . . . . 0.0 110.978 -179.933 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.96 108.17 13.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 0.77 . . . . 0.0 110.049 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.1 m -160.79 149.38 16.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.039 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.8 149.48 5.21 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.53 1.144 . . . . 0.0 110.988 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.4 p -176.12 159.98 2.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 0.779 . . . . 0.0 110.017 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.5 m 60.11 115.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 110.022 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.55 149.87 5.53 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.478 1.111 . . . . 0.0 111.028 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.1 ttt -171.04 144.08 2.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 0.767 . . . . 0.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -88.03 158.24 18.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.085 . . . . 0.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.9 t -64.9 -40.22 94.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.582 1.176 . . . . 0.0 109.991 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -176.63 87.23 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 110.314 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -102.66 157.29 17.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.85 -51.4 67.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.418 ' CE2' ' HB2' ' A' ' 37' ' ' LYS . 3.7 m-85 -146.92 -166.87 2.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 110.981 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -112.29 131.13 55.68 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.463 1.102 . . . . 0.0 110.292 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.713 HG22 HG21 ' A' ' 34' ' ' VAL . 5.2 t -55.06 122.96 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -81.43 -49.64 10.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.331 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.408 ' O ' ' HA ' ' A' ' 34' ' ' VAL . 14.3 ptp180 177.88 164.93 0.67 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 0.0 110.323 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.577 ' HB ' ' CD2' ' A' ' 62' ' ' PHE . 4.4 mm -93.6 129.46 43.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.262 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.798 ' HB ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -107.41 -12.34 10.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.444 ' N ' ' HB3' ' A' ' 33' ' ' LEU . 24.9 t0 -174.23 179.12 1.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.329 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.571 ' HD2' ' CE1' ' A' ' 32' ' ' TYR . 1.6 tttt -169.38 128.43 1.0 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.413 ' NH1' ' HB3' ' A' ' 23' ' ' ARG . 2.6 mtp-105 -150.53 -178.95 6.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 110.351 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -104.64 148.98 25.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.589 1.181 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -76.36 -179.86 5.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.324 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.17 -36.71 72.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.583 1.177 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.42 -39.05 71.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 126.08 42.59 0.3 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.514 1.134 . . . . 0.0 110.966 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.5 mmtm -114.15 141.47 47.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 0.797 . . . . 0.0 109.339 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.443 ' O ' ' HA ' ' A' ' 48' ' ' PRO . 52.9 m -76.24 130.27 37.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 110.353 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.411 ' O ' ' HA ' ' A' ' 22' ' ' LYS . 31.7 mt-10 -129.1 140.8 51.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.25 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.571 ' CE1' ' HD2' ' A' ' 22' ' ' LYS . 49.8 m-85 -122.27 127.56 50.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.966 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.798 HD23 ' HB ' ' A' ' 20' ' ' VAL . 17.2 tp -73.65 109.02 6.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 109.358 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.713 HG21 HG22 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -124.7 137.77 56.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.267 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.539 ' C ' ' CG ' ' A' ' 36' ' ' TRP . 6.7 mmm-85 -84.26 176.49 8.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.278 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.647 ' CE2' HG22 ' A' ' 34' ' ' VAL . 2.3 m95 -161.72 157.01 23.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.584 1.177 . . . . 0.0 107.998 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.418 ' HB2' ' CE2' ' A' ' 14' ' ' TYR . 4.7 mmtt -64.94 156.91 29.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.115 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 81.04 -51.02 4.28 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.476 1.11 . . . . 0.0 111.063 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -89.39 140.64 29.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 0.747 . . . . 0.0 111.029 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 43' ' ' ASP . 3.3 m-20 -94.47 171.12 9.0 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.535 1.147 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.7 t -45.97 -56.83 4.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.059 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -51.79 -21.05 2.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.401 1.063 . . . . 0.0 110.319 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 40' ' ' ASP . 26.3 m-20 -113.41 42.11 2.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.257 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.515 ' CG ' HD11 ' A' ' 33' ' ' LEU . 8.5 p30 -83.77 176.08 9.2 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.412 1.07 . . . . 0.0 109.339 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.501 ' O ' HD12 ' A' ' 33' ' ' LEU . 67.5 p -136.17 168.8 18.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.424 1.078 . . . . 0.0 110.39 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.486 ' CE2' HD13 ' A' ' 33' ' ' LEU . 74.1 m95 -118.42 102.03 8.62 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.546 1.154 . . . . 0.0 107.975 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -99.95 134.6 20.82 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.095 . . . . 0.0 110.335 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.516 ' HG2' ' CG ' ' A' ' 51' ' ' HIS . 18.5 Cg_endo -74.95 142.53 28.15 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.537 1.809 . . . . 0.0 111.051 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -46.45 -50.27 17.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.262 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -50.8 -25.05 3.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 110.315 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.516 ' CG ' ' HG2' ' A' ' 48' ' ' PRO . 19.1 m170 -91.03 -26.11 19.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.574 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.629 HD22 HG21 ' A' ' 16' ' ' VAL . 74.2 mt -85.29 53.57 2.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.418 HG13 ' H ' ' A' ' 53' ' ' VAL . 1.0 OUTLIER -69.3 142.76 15.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.438 1.087 . . . . 0.0 109.238 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 59.32 18.36 6.63 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 80.4 m -120.49 9.97 11.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.583 1.177 . . . . 0.0 108.305 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -56.0 -33.45 64.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -45.18 -69.01 0.15 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.509 1.131 . . . . 0.0 110.301 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -49.68 -49.39 47.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 111.046 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.496 HG23 ' CE1' ' A' ' 32' ' ' TYR . 82.7 mt -52.58 -59.37 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.339 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -45.11 -51.51 10.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.577 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -58.42 -52.21 66.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.424 1.077 . . . . 0.0 109.336 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.577 ' CD2' ' HB ' ' A' ' 19' ' ' ILE . 10.3 t80 -56.8 -39.66 74.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 111.019 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.22 -49.0 77.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.143 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.49 -46.4 70.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 110.323 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.3 mmm180 -53.65 -56.14 19.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.311 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -53.39 -62.4 1.68 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.581 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 76.6 p -121.31 122.51 40.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.579 1.175 . . . . 0.0 110.443 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 70' ' ' GLN . 55.1 mt-10 -50.03 -55.42 14.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 69.77 -69.26 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' A' ' 68' ' ' GLU . 8.6 pt20 -173.13 152.29 2.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 110.301 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.433 ' O ' ' CB ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER 64.28 140.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.309 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.433 ' CB ' ' O ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER 81.21 100.09 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 110.303 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 31.3 p -91.36 -55.15 3.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.011 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 89.29 -140.18 15.57 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.532 1.145 . . . . 0.0 111.077 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 58.76 5.01 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.425 1.75 . . . . 0.0 111.033 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.57 112.65 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 0.0 109.999 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.99 110.91 4.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 110.02 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.463 1.102 . . . . 0.0 110.942 179.988 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.7 p -108.48 158.16 17.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 0.749 . . . . 0.0 109.992 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.2 t -139.45 117.53 11.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.531 1.144 . . . . 0.0 110.006 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.58 159.05 24.36 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.519 1.137 . . . . 0.0 110.995 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.5 m -127.99 -55.98 1.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 0.733 . . . . 0.0 110.018 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.4 m 61.58 165.78 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 110.001 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.24 111.13 0.86 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.509 1.131 . . . . 0.0 110.959 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -156.78 101.65 1.98 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 0.791 . . . . 0.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -176.93 -60.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.266 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -103.68 107.73 18.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.041 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.01 78.91 2.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 110.33 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -70.2 168.51 15.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.275 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.551 ' C ' ' CG ' ' A' ' 14' ' ' TYR . 0.1 OUTLIER -55.69 -68.38 0.21 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.101 . . . . 0.0 109.285 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.551 ' CG ' ' C ' ' A' ' 13' ' ' LEU . 12.1 m-85 -161.27 135.69 7.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -78.68 122.14 25.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 110.272 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.708 HG22 HG21 ' A' ' 34' ' ' VAL . 4.3 t -55.84 121.22 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.406 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 12.6 tt0 -82.27 -51.28 8.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 110.267 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.406 ' HB3' ' O ' ' A' ' 17' ' ' GLU . 15.4 ptp180 177.58 165.61 0.63 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.573 1.171 . . . . 0.0 110.334 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.571 ' HB ' ' CD1' ' A' ' 62' ' ' PHE . 4.0 mm -94.19 131.22 41.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.345 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.719 ' HB ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -110.97 -19.23 7.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.264 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -162.06 168.61 22.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.086 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.565 ' HG3' ' CD1' ' A' ' 32' ' ' TYR . 0.7 OUTLIER -167.77 134.31 2.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.243 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.94 175.79 13.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.29 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.471 ' CG ' ' HA2' ' A' ' 28' ' ' GLY . 3.1 ttpt -100.81 150.14 23.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.169 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 35.9 m-20 -92.59 -179.85 5.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.36 -40.7 98.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.572 1.17 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 31.3 mttp -71.4 -10.86 60.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.471 ' HA2' ' CG ' ' A' ' 24' ' ' LYS . . . 93.1 15.54 51.28 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -80.25 139.13 36.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 0.758 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.405 HG23 ' HE3' ' A' ' 22' ' ' LYS . 12.7 m -86.23 122.42 30.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.133 . . . . 0.0 110.37 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.413 ' O ' ' HA ' ' A' ' 22' ' ' LYS . 3.3 mm-40 -115.27 142.66 46.37 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.452 1.095 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.643 ' CE1' HG23 ' A' ' 59' ' ' ILE . 42.5 m-85 -123.91 122.49 38.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.596 1.185 . . . . 0.0 110.94 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.719 HD23 ' HB ' ' A' ' 20' ' ' VAL . 7.0 tp -72.82 109.61 6.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.708 HG21 HG22 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -122.49 141.04 44.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.552 ' O ' ' CG ' ' A' ' 36' ' ' TRP . 22.3 mtm180 -83.27 176.64 9.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.256 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.621 ' CE2' HG22 ' A' ' 34' ' ' VAL . 3.3 m95 -162.17 149.47 13.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 108.04 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.17 148.78 39.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.34 -51.46 4.18 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.49 1.119 . . . . 0.0 110.961 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -55.29 124.61 17.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 0.737 . . . . 0.0 111.007 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.92 -175.04 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.25 -44.93 82.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.937 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.75 22.87 3.34 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 110.274 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -110.63 -18.5 13.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.097 . . . . 0.0 109.276 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -42.58 147.1 0.3 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 47.8 p -118.12 160.01 22.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.401 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.549 ' NE1' HD13 ' A' ' 33' ' ' LEU . 38.8 m95 -102.05 119.05 38.17 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -109.82 131.33 22.0 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.524 1.14 . . . . 0.0 110.321 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.47 ' HG2' ' CD2' ' A' ' 51' ' ' HIS . 18.3 Cg_endo -74.92 136.01 19.99 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.515 1.797 . . . . 0.0 111.029 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.32 -41.12 2.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.599 ' O ' HG23 ' A' ' 53' ' ' VAL . 22.0 tt0 -54.18 -41.08 68.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.332 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.47 ' CD2' ' HG2' ' A' ' 48' ' ' PRO . 16.8 m170 -76.85 -32.24 57.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.587 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.458 ' CD2' HG21 ' A' ' 16' ' ' VAL . 26.2 mt -78.28 65.85 3.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 50' ' ' GLN . 48.6 t -87.36 138.39 19.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.255 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 68.32 9.91 7.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 26.5 m -118.36 19.77 13.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 108.335 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.83 -34.97 73.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 110.232 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -44.42 -64.31 0.71 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 110.314 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -48.81 -61.3 2.12 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.453 1.096 . . . . 0.0 110.986 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.643 HG23 ' CE1' ' A' ' 32' ' ' TYR . 11.5 mt -48.37 -41.71 11.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.254 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -61.61 -47.22 86.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.602 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -61.92 -45.47 93.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.162 . . . . 0.0 109.395 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.571 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 16.7 t80 -60.49 -38.89 85.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.42 1.075 . . . . 0.0 111.016 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.18 -48.57 75.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.425 1.078 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.8 mmt180 -58.02 -50.74 72.38 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.57 1.168 . . . . 0.0 110.289 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.5 mtt-85 -58.54 -53.96 52.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.572 1.17 . . . . 0.0 110.279 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -55.41 -63.49 1.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.635 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 18.1 m -56.29 158.07 4.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.122 . . . . 0.0 110.424 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -115.02 115.69 27.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.7 tptp -140.77 159.02 43.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -76.34 99.48 4.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.347 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.72 120.87 2.08 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.526 1.141 . . . . 0.0 109.244 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -86.85 122.28 30.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 110.309 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -91.31 135.88 33.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.961 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -109.9 147.3 17.19 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.521 1.138 . . . . 0.0 111.03 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 101.07 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.504 1.792 . . . . 0.0 111.04 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 83.8 p -123.56 97.51 5.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.063 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.8 m -106.95 124.69 49.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.573 1.171 . . . . 0.0 109.913 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.472 1.108 . . . . 0.0 111.004 179.941 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.5 p 179.83 107.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 0.747 . . . . 0.0 109.971 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.74 151.2 0.88 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.976 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.42 104.79 0.3 Allowed Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.522 1.139 . . . . 0.0 111.019 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.0 p -176.19 167.94 2.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 0.735 . . . . 0.0 110.063 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.36 163.13 0.69 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.128 . . . . 0.0 110.015 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.79 85.87 0.08 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.431 1.082 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.4 mmt -125.16 162.92 23.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 0.783 . . . . 0.0 111.039 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.48 174.2 2.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.607 1.192 . . . . 0.0 109.26 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.7 t -171.07 132.76 0.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.987 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -127.53 34.53 4.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.306 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -69.87 169.58 12.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 110.278 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.89 -50.91 64.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -145.72 -166.92 2.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -103.53 126.18 50.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 110.301 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.606 HG22 HG21 ' A' ' 34' ' ' VAL . 6.2 t -69.45 120.2 16.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.444 ' OE2' ' NH1' ' A' ' 18' ' ' ARG . 10.8 tt0 -78.19 -51.58 10.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.316 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.444 ' NH1' ' OE2' ' A' ' 17' ' ' GLU . 9.3 ptp85 177.25 164.81 0.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 110.335 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.614 HD12 ' HB3' ' A' ' 32' ' ' TYR . 3.6 mm -93.52 131.29 40.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.258 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.698 ' HB ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -111.17 -18.36 7.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 109.32 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.448 ' OD1' ' N ' ' A' ' 22' ' ' LYS . 5.2 t0 -166.23 172.22 11.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.57 ' HD2' ' CE1' ' A' ' 32' ' ' TYR . 1.1 tttt -164.68 133.48 3.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.78 176.75 11.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 110.34 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.48 ' CG ' ' HA2' ' A' ' 28' ' ' GLY . 2.8 ttpt -104.88 146.02 29.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.42 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 1.6 m-20 -80.84 167.04 20.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.423 ' HG3' ' N ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -57.85 -31.72 66.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.313 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.423 ' N ' ' HG3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -75.89 -20.37 58.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.48 ' HA2' ' CG ' ' A' ' 24' ' ' LYS . . . 103.38 21.6 9.79 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.477 1.111 . . . . 0.0 110.946 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.27 139.02 31.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.43 0.723 . . . . 0.0 109.276 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.44 ' O ' ' HA ' ' A' ' 48' ' ' PRO . 31.3 m -82.41 126.17 31.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.577 1.173 . . . . 0.0 110.43 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -129.78 131.46 46.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.339 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.716 ' CE1' HG23 ' A' ' 59' ' ' ILE . 74.3 m-85 -108.75 128.98 55.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 111.036 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.698 HD23 ' HB ' ' A' ' 20' ' ' VAL . 6.6 tp -73.93 109.72 7.65 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.563 1.164 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.618 HG22 ' CE2' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -122.5 147.73 26.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.552 ' C ' ' CG ' ' A' ' 36' ' ' TRP . 24.0 mmm-85 -91.22 175.07 7.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.284 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.618 ' CE2' HG22 ' A' ' 34' ' ' VAL . 1.8 m95 -162.46 165.64 25.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.554 1.159 . . . . 0.0 107.997 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.59 146.76 46.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.16 -43.83 3.16 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.473 1.108 . . . . 0.0 111.016 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -81.96 122.71 28.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 0.783 . . . . 0.0 111.015 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.421 ' N ' ' HB2' ' A' ' 43' ' ' ASP . 0.5 OUTLIER -64.07 -158.77 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.403 1.064 . . . . 0.0 109.318 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.405 ' O ' ' CG ' ' A' ' 44' ' ' ASP . 0.5 OUTLIER -78.13 -37.87 45.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.974 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -87.34 10.53 17.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.421 ' HB2' ' N ' ' A' ' 40' ' ' ASP . 9.0 m-20 -107.71 -15.24 14.62 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.405 ' CG ' ' O ' ' A' ' 41' ' ' SER . 0.5 OUTLIER -40.05 140.9 0.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 109.334 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.405 ' OG1' ' NE1' ' A' ' 36' ' ' TRP . 55.6 p -109.22 161.54 15.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.409 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.465 ' NE1' HD13 ' A' ' 33' ' ' LEU . 63.4 m95 -106.41 113.83 27.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.537 1.148 . . . . 0.0 107.983 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -111.69 136.22 21.11 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 110.267 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.447 ' O ' ' N ' ' A' ' 51' ' ' HIS . 18.4 Cg_endo -74.94 134.85 18.43 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.554 1.818 . . . . 0.0 111.075 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.76 -31.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.317 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.521 ' O ' HG23 ' A' ' 53' ' ' VAL . 3.4 tt0 -56.92 -49.6 75.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.293 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.447 ' N ' ' O ' ' A' ' 48' ' ' PRO . 18.3 m170 -70.6 -26.16 63.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.561 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.541 ' CD2' HG21 ' A' ' 16' ' ' VAL . 22.8 mt -84.21 69.35 10.41 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 50' ' ' GLN . 68.5 t -86.87 138.41 19.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 61.32 21.33 11.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.247 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 19.7 m -115.36 15.27 16.86 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.561 1.163 . . . . 0.0 108.307 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.18 -42.37 73.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.573 1.171 . . . . 0.0 110.31 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -40.98 -65.1 0.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.297 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -49.3 -62.02 1.77 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.383 1.052 . . . . 0.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.716 HG23 ' CE1' ' A' ' 32' ' ' TYR . 12.0 mt -46.79 -42.29 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.339 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -60.33 -59.65 5.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.608 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -52.34 -37.21 55.47 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.571 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 78.6 t80 -68.78 -28.46 66.8 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.527 1.142 . . . . 0.0 111.043 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -86.37 -43.1 13.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.425 ' HG3' ' N ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -69.36 -27.11 65.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.588 1.18 . . . . 0.0 110.314 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.425 ' N ' ' HG3' ' A' ' 64' ' ' ARG . 2.3 mmm180 -50.22 -56.44 11.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 110.367 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -44.85 -64.72 0.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.639 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.4 HG22 ' N ' ' A' ' 68' ' ' GLU . 54.7 m -69.3 165.44 20.63 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.456 1.097 . . . . 0.0 110.413 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.4 ' N ' HG22 ' A' ' 67' ' ' THR . 27.6 mt-10 -113.82 110.92 20.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.343 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 71' ' ' LYS . 1.0 OUTLIER -125.54 108.4 11.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.353 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -45.11 96.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -175.99 162.91 2.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.605 1.191 . . . . 0.0 109.311 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 64.34 133.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.295 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.6 m -111.48 140.97 45.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.987 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 147.91 -149.78 21.9 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.484 1.115 . . . . 0.0 110.936 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 109.65 2.97 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.515 1.797 . . . . 0.0 111.01 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 15.7 m -123.54 165.51 17.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.994 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.5 p -94.33 167.08 11.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.991 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.542 1.152 . . . . 0.0 110.967 -179.976 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.7 t -143.83 141.12 30.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 0.772 . . . . 0.0 109.966 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.8 p -178.53 166.22 1.77 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 110.042 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.6 -67.49 0.69 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.477 1.11 . . . . 0.0 111.044 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 66.36 135.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 0.731 . . . . 0.0 110.026 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 62.04 153.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.016 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.23 -144.52 5.64 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -174.12 -60.69 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 0.785 . . . . 0.0 111.008 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -109.68 -64.79 1.21 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 39.8 m -50.25 167.64 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.573 1.171 . . . . 0.0 110.018 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -148.01 121.21 8.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 110.278 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -118.15 160.75 21.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.56 1.162 . . . . 0.0 110.314 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.6 -52.99 63.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -139.1 -166.87 2.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.922 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -139.18 140.45 37.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 110.304 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.648 HG22 HG21 ' A' ' 34' ' ' VAL . 4.0 t -72.56 116.94 15.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.412 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 22.1 tt0 -68.65 -53.0 25.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.552 1.157 . . . . 0.0 110.357 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.412 ' HB3' ' O ' ' A' ' 17' ' ' GLU . 15.2 ptp180 177.13 165.07 0.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.573 1.171 . . . . 0.0 110.277 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.598 HG21 ' HD1' ' A' ' 32' ' ' TYR . 5.4 mm -90.01 123.89 42.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.566 1.166 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -102.17 -20.75 5.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.525 1.141 . . . . 0.0 109.277 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.503 ' HB3' ' CH2' ' A' ' 46' ' ' TRP . 7.5 t0 -163.64 175.54 10.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.229 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.571 ' HG3' ' CD1' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -171.56 128.97 0.67 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -153.42 179.71 8.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.143 . . . . 0.0 110.246 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.73 157.91 26.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 25.1 m-20 -101.77 170.62 8.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.246 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.78 -31.17 37.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.24 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -67.74 -41.85 82.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 0.0 109.341 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 116.38 11.84 9.36 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.487 1.117 . . . . 0.0 110.955 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -80.49 135.66 36.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 0.752 . . . . 0.0 109.277 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 53.1 m -84.62 126.94 33.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 110.362 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.432 ' OE2' ' N ' ' A' ' 48' ' ' PRO . 5.4 mm-40 -124.77 139.92 53.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.331 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.598 ' HD1' HG21 ' A' ' 19' ' ' ILE . 43.9 m-85 -121.13 120.09 34.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 110.992 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.618 HD13 ' NE1' ' A' ' 46' ' ' TRP . 51.5 tp -71.21 109.57 5.33 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.648 HG21 HG22 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -119.9 143.41 31.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.458 1.098 . . . . 0.0 109.265 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.553 ' O ' ' CG ' ' A' ' 36' ' ' TRP . 0.0 OUTLIER -85.19 176.49 8.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.098 . . . . 0.0 110.25 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.632 ' CH2' HG22 ' A' ' 16' ' ' VAL . 2.7 m95 -162.48 151.33 15.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 108.022 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.18 143.07 55.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.354 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.2 -45.91 3.02 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.518 1.136 . . . . 0.0 111.04 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -83.59 129.23 34.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 0.744 . . . . 0.0 110.956 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.423 ' N ' ' HB2' ' A' ' 43' ' ' ASP . 4.3 m-20 -71.69 -170.19 0.52 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.8 t -66.73 -51.79 51.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 110.029 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -64.46 -12.29 42.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.436 1.085 . . . . 0.0 110.319 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.423 ' HB2' ' N ' ' A' ' 40' ' ' ASP . 1.8 m-20 -92.99 -21.63 19.65 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 43.9 m-20 -41.07 146.16 0.18 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.423 ' OG1' ' NE1' ' A' ' 36' ' ' TRP . 74.7 p -113.0 170.71 8.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.413 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.618 ' NE1' HD13 ' A' ' 33' ' ' LEU . 57.9 m95 -114.54 113.17 24.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 108.019 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -105.38 133.62 20.08 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.342 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.507 ' HG2' ' CG ' ' A' ' 51' ' ' HIS . 18.4 Cg_endo -74.93 138.05 22.69 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.472 1.775 . . . . 0.0 111.063 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.464 ' HG2' HD13 ' A' ' 59' ' ' ILE . 0.2 OUTLIER -43.26 -56.11 3.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -47.58 -31.31 4.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.316 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.507 ' CG ' ' HG2' ' A' ' 48' ' ' PRO . 7.2 m170 -83.62 -31.95 25.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.626 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.63 ' CD2' HG21 ' A' ' 16' ' ' VAL . 36.9 mt -77.72 64.79 3.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.359 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.0 t -83.88 142.42 13.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 0.0 109.27 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 65.15 12.13 7.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.347 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 32.0 m -124.02 18.45 9.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 108.307 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -59.83 -35.89 75.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.345 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 50.0 tt0 -42.68 -65.12 0.51 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.328 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -49.62 -57.55 6.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.964 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.514 HG23 ' CE1' ' A' ' 32' ' ' TYR . 81.2 mt -49.77 -53.69 9.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -50.25 -50.92 48.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.548 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -60.04 -59.67 5.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.576 ' CD2' ' HB ' ' A' ' 19' ' ' ILE . 4.4 t80 -49.35 -47.78 47.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -54.16 -46.8 72.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.8 mmt-85 -57.94 -54.73 43.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.423 1.077 . . . . 0.0 110.28 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.2 mmm180 -54.03 -48.11 70.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.312 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.19 -63.22 1.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.621 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 60.9 p -62.41 178.84 0.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 110.419 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -97.09 158.53 15.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -164.38 177.56 8.14 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.434 1.084 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -105.13 49.42 0.81 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 110.306 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.56 69.58 1.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.368 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -176.17 155.3 1.51 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 110.319 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.4 t -124.69 115.44 20.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.573 1.17 . . . . 0.0 109.975 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 134.55 170.35 12.21 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.577 1.173 . . . . 0.0 110.981 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 68.1 5.76 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.487 1.783 . . . . 0.0 111.019 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 49.4 m 65.93 161.14 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 110.038 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.4 t -144.71 124.74 13.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.425 1.078 . . . . 0.0 110.076 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 -179.939 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t 67.85 117.12 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.408 0.711 . . . . 0.0 110.054 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 176.44 158.84 0.3 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.535 1.147 . . . . 0.0 109.96 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.6 80.16 0.03 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.57 1.169 . . . . 0.0 111.021 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.0 t -170.83 136.75 1.19 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 0.737 . . . . 0.0 110.04 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 175.84 136.81 0.05 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 110.098 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.7 163.52 8.79 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.525 1.14 . . . . 0.0 111.011 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -166.64 92.92 0.47 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.546 0.792 . . . . 0.0 111.092 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -173.53 -59.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.09 . . . . 0.0 109.327 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.8 m -47.84 174.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.093 . . . . 0.0 110.037 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 178.03 145.12 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.438 1.086 . . . . 0.0 110.318 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -105.12 163.67 12.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.343 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.64 -54.22 49.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.262 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -138.73 -166.55 2.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 110.969 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.78 140.7 44.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.317 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.609 HG22 HG21 ' A' ' 34' ' ' VAL . 5.3 t -62.57 122.5 13.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.413 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 11.6 tt0 -77.67 -50.27 12.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.413 ' HB3' ' O ' ' A' ' 17' ' ' GLU . 8.4 ptp180 177.59 168.41 0.66 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 110.255 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.569 HD12 ' HB3' ' A' ' 32' ' ' TYR . 2.9 mm -96.58 129.42 46.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.717 ' HB ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -108.53 -12.24 10.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.1 . . . . 0.0 109.264 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.42 ' HB3' ' CH2' ' A' ' 46' ' ' TRP . 16.2 t0 -173.47 167.78 4.61 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.425 1.078 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.58 ' HG3' ' CE1' ' A' ' 32' ' ' TYR . 0.5 OUTLIER -159.44 139.27 11.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 109.331 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.438 ' N ' ' HG2' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -163.46 179.67 7.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.31 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -110.45 162.6 14.52 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.418 ' ND2' ' O ' ' A' ' 29' ' ' LYS . 0.7 OUTLIER -109.43 175.94 5.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.27 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.34 -18.99 65.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.416 1.072 . . . . 0.0 109.344 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.6 mttt -77.18 -42.55 37.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.259 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 119.04 -0.58 14.78 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.443 1.089 . . . . 0.0 111.043 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.533 ' N ' ' CD ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -78.4 142.2 37.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 0.734 . . . . 0.0 109.226 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.54 HG22 ' CE2' ' A' ' 32' ' ' TYR . 7.6 m -85.37 121.67 28.42 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.532 1.145 . . . . 0.0 110.379 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -116.05 150.18 37.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.11 . . . . 0.0 110.333 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.58 ' CE1' ' HG3' ' A' ' 22' ' ' LYS . 72.2 m-85 -130.53 127.75 39.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.966 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.717 HD23 ' HB ' ' A' ' 20' ' ' VAL . 6.8 tp -73.54 109.52 7.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.609 HG21 HG22 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -123.8 144.32 33.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.251 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.556 ' O ' ' CG ' ' A' ' 36' ' ' TRP . 1.1 mmp_? -86.85 176.02 7.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 110.26 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.598 ' CH2' HG22 ' A' ' 16' ' ' VAL . 2.2 m95 -162.81 155.97 19.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 108.032 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -84.9 165.2 17.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.5 -36.95 3.34 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.491 1.119 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.403 ' HB3' ' CB ' ' A' ' 43' ' ' ASP . 31.7 m-85 -92.98 172.15 8.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 0.772 . . . . 0.0 110.932 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -79.13 -173.92 3.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.4 m -79.72 -36.18 37.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.941 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -91.17 26.57 2.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.608 1.193 . . . . 0.0 110.275 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 44' ' ' ASP . 9.4 t0 -106.46 -13.93 15.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 43' ' ' ASP . 2.2 p30 -39.73 132.61 1.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.248 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.8 p -111.5 -177.41 3.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 110.445 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.443 ' NE1' HD13 ' A' ' 33' ' ' LEU . 61.1 m95 -119.78 112.87 19.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 108.051 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -108.06 141.35 22.97 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 110.292 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.493 ' HG2' ' CG ' ' A' ' 51' ' ' HIS . 18.4 Cg_endo -75.01 134.9 18.35 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.485 1.781 . . . . 0.0 110.98 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -40.38 -44.0 1.88 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.09 . . . . 0.0 110.338 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -52.09 -43.44 63.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.601 1.188 . . . . 0.0 110.347 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.493 ' CG ' ' HG2' ' A' ' 48' ' ' PRO . 18.7 m170 -76.27 -20.91 56.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.556 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.52 HD22 HG21 ' A' ' 16' ' ' VAL . 29.9 mt -92.1 64.37 4.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.258 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 71.0 t -73.9 139.25 19.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 67.77 12.25 8.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.472 ' SG ' HG11 ' A' ' 16' ' ' VAL . 47.2 t -90.69 -22.0 21.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.579 1.174 . . . . 0.0 108.231 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 55' ' ' CYS . 31.8 mt-10 -36.01 -39.4 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.292 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -53.86 -53.13 56.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.288 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.454 ' N ' ' O ' ' A' ' 55' ' ' CYS . 50.8 m-85 -66.38 -52.87 42.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.986 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.53 HG23 ' CE1' ' A' ' 32' ' ' TYR . 6.4 mt -48.78 -50.25 13.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -46.58 -62.98 1.13 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.625 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -50.81 -49.87 57.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.356 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.568 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 11.1 t80 -56.14 -40.72 74.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 110.949 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -65.2 -43.26 92.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 -53.55 -52.51 59.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.6 mmt180 -51.01 -56.61 11.65 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.542 1.151 . . . . 0.0 110.275 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -59.11 -68.31 0.29 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 109.625 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 16.7 m -50.96 151.76 2.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.414 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -73.27 142.39 47.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.284 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.07 168.2 13.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.241 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -174.76 95.04 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.242 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.9 175.72 7.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 65.95 88.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.326 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.9 t -81.46 -57.84 3.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 110.022 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -83.4 122.33 5.75 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.417 1.073 . . . . 0.0 111.025 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 124.29 8.52 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.562 1.822 . . . . 0.0 111.039 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.6 p -95.79 171.86 8.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.984 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 82.8 p -131.91 149.04 52.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 110.014 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 O-C-N 124.493 1.121 . . . . 0.0 111.021 179.982 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 71.66 -63.5 0.42 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 0.755 . . . . 0.0 110.031 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.9 t 62.1 122.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.523 1.14 . . . . 0.0 109.963 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.98 91.32 1.1 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.46 1.1 . . . . 0.0 110.988 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.11 -60.72 1.76 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 0.761 . . . . 0.0 110.016 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 m -148.76 150.15 32.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 110.054 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.35 133.72 2.21 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.514 1.134 . . . . 0.0 110.951 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.0 ttm -168.15 -54.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 0.758 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.21 122.19 13.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 41.0 t -161.31 117.61 2.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.483 1.114 . . . . 0.0 110.048 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -102.78 34.02 2.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -72.05 170.02 14.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.284 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.83 -51.15 19.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.225 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -148.03 -167.21 2.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.96 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.53 131.97 45.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.337 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.579 HG22 HG21 ' A' ' 34' ' ' VAL . 11.7 t -59.25 126.36 16.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.259 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -86.99 -48.55 8.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.431 1.082 . . . . 0.0 110.239 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 177.76 166.2 0.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.322 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.546 ' HB ' ' CD1' ' A' ' 62' ' ' PHE . 3.6 mm -95.19 128.74 46.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.708 ' HB ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -108.34 -12.64 10.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.498 ' HB3' ' CH2' ' A' ' 46' ' ' TRP . 15.0 t0 -174.71 173.19 2.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.571 ' HD2' ' CE1' ' A' ' 32' ' ' TYR . 0.5 OUTLIER -162.95 137.79 6.53 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.418 ' N ' ' HG2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -158.4 -179.02 7.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 110.241 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.19 161.79 17.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -99.38 173.21 6.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.15 -35.22 64.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.353 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.91 -30.19 67.55 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 108.86 11.51 22.59 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.451 1.094 . . . . 0.0 111.08 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp -76.32 136.5 39.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 0.741 . . . . 0.0 109.336 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.426 HG23 ' HE2' ' A' ' 22' ' ' LYS . 48.6 m -78.61 132.73 37.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.429 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -134.05 143.93 48.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.583 ' CE1' HG23 ' A' ' 59' ' ' ILE . 73.0 m-85 -123.48 127.43 48.36 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.517 1.136 . . . . 0.0 110.964 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.708 HD23 ' HB ' ' A' ' 20' ' ' VAL . 6.7 tp -74.13 110.6 8.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.615 HG22 ' CE2' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -123.84 145.76 30.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.09 . . . . 0.0 109.239 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.58 ' NH1' HG11 ' A' ' 20' ' ' VAL . 1.9 mtm-85 -88.58 174.26 8.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 110.3 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.615 ' CE2' HG22 ' A' ' 34' ' ' VAL . 1.9 m95 -162.28 161.19 27.55 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.498 1.124 . . . . 0.0 107.996 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.9 mttt -64.5 141.79 58.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 109.212 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.27 -40.48 3.08 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.499 1.124 . . . . 0.0 110.988 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -73.18 115.24 12.28 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.52 0.776 . . . . 0.0 111.005 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -63.15 -156.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.15 . . . . 0.0 109.272 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.1 t -76.01 -48.54 20.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.943 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -90.68 24.2 2.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 110.248 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 44' ' ' ASP . 1.4 t0 -110.98 -29.45 7.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.346 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 43' ' ' ASP . 5.0 m-20 -39.34 152.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.416 ' O ' HD12 ' A' ' 33' ' ' LEU . 15.7 p -118.69 -175.63 2.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.385 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.541 ' NE1' HD13 ' A' ' 33' ' ' LEU . 59.9 m95 -121.85 118.71 29.62 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 108.019 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -114.79 139.77 24.57 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.585 1.178 . . . . 0.0 110.337 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.448 ' O ' ' N ' ' A' ' 51' ' ' HIS . 18.2 Cg_endo -74.96 137.12 21.39 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.459 1.768 . . . . 0.0 110.988 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -40.71 -41.03 1.44 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -53.66 -44.57 69.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.34 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.448 ' N ' ' O ' ' A' ' 48' ' ' PRO . 15.4 m170 -76.75 -18.43 58.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.579 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.476 ' CD1' ' HB2' ' A' ' 32' ' ' TYR . 29.7 mt -94.8 65.16 2.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.1 m -79.03 141.37 15.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.341 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 65.53 16.71 10.64 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.555 1.159 . . . . 0.0 109.25 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.407 ' O ' ' C ' ' A' ' 56' ' ' GLU . 4.5 t -100.75 -15.08 17.79 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.507 1.129 . . . . 0.0 108.26 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 55' ' ' CYS . 10.9 mt-10 -37.26 -40.42 0.33 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.327 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -50.83 -56.1 13.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 110.275 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -62.48 -53.41 55.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 110.973 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.583 HG23 ' CE1' ' A' ' 32' ' ' TYR . 10.6 mt -49.48 -41.79 16.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -60.47 -47.69 85.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 109.577 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -63.63 -25.56 68.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.546 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 61.9 t80 -83.71 -29.08 27.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 111.033 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -82.11 -31.31 30.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.269 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -75.73 -27.26 58.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 110.333 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.424 ' N ' ' HG3' ' A' ' 64' ' ' ARG . 1.9 mmm180 -58.14 -52.9 63.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.31 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.95 -69.76 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.645 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 10.8 m -62.41 124.96 22.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.397 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -83.21 -51.96 7.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 110.269 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 72.05 -70.04 0.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.428 1.08 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -133.87 -59.26 0.85 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.48 1.112 . . . . 0.0 110.294 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.8 135.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.327 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -178.22 124.42 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.313 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.2 t 65.02 85.43 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.167 . . . . 0.0 110.026 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -101.92 -122.29 5.02 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.545 1.153 . . . . 0.0 111.028 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 173.82 13.85 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.542 1.811 . . . . 0.0 110.946 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 51.67 80.77 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.029 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 30.8 p -163.13 -58.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.023 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.486 1.116 . . . . 0.0 110.924 -179.983 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -138.63 -58.42 0.62 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 0.75 . . . . 0.0 110.006 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.74 165.34 14.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 110.039 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.79 96.98 0.11 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.521 1.138 . . . . 0.0 111.027 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.77 144.45 30.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.762 . . . . 0.0 109.981 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.0 t -114.83 -62.28 1.62 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 110.038 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.56 143.49 4.03 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.488 1.118 . . . . 0.0 110.972 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.582 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 1.0 OUTLIER -88.11 130.63 34.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.424 0.72 . . . . 0.0 111.02 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.582 ' HB3' ' O ' ' A' ' 8' ' ' MET . . . 75.83 118.49 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.4 m -148.61 102.57 3.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.954 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -141.84 83.15 1.84 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.221 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -95.02 171.1 8.96 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.01 -68.11 0.3 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -129.78 -168.31 1.93 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.588 1.18 . . . . 0.0 110.968 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -138.75 140.83 38.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.745 HG21 HD22 ' A' ' 52' ' ' LEU . 4.1 t -71.21 118.55 16.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.406 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 18.2 tt0 -75.47 -51.77 12.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.406 ' HB3' ' O ' ' A' ' 17' ' ' GLU . 15.6 ptp180 177.73 167.88 0.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.366 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.567 ' HB ' ' CD2' ' A' ' 62' ' ' PHE . 4.1 mm -96.08 130.31 44.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.218 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.699 ' HB ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -109.71 -22.31 5.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.467 1.104 . . . . 0.0 109.246 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.49 ' HB3' ' CH2' ' A' ' 46' ' ' TRP . 14.9 t0 -161.82 169.75 20.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.569 ' HG3' ' CD1' ' A' ' 32' ' ' TYR . 3.8 tttm -153.79 139.97 18.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.453 1.095 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.432 ' N ' ' HG2' ' A' ' 22' ' ' LYS . 0.6 OUTLIER -158.65 -179.11 7.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.37 149.96 24.92 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.46 1.1 . . . . 0.0 109.326 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -78.6 179.85 6.87 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.541 1.15 . . . . 0.0 109.253 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.9 tmmm? -70.74 -37.75 73.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.255 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.27 -32.16 64.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 119.23 35.45 0.94 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -105.45 140.83 37.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 0.774 . . . . 0.0 109.259 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.458 ' O ' ' HA ' ' A' ' 48' ' ' PRO . 89.1 m -68.13 122.87 19.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 110.353 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -118.5 139.84 50.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 110.324 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.569 ' CD1' ' HG3' ' A' ' 22' ' ' LYS . 51.9 m-85 -125.83 125.0 42.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.142 . . . . 0.0 111.054 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.699 HD23 ' HB ' ' A' ' 20' ' ' VAL . 6.4 tp -73.22 110.39 7.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 109.265 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.65 HG21 HG22 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -123.89 142.96 38.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.464 1.102 . . . . 0.0 109.262 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.541 ' O ' ' CG ' ' A' ' 36' ' ' TRP . 0.8 OUTLIER -84.88 176.13 8.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.331 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.6 ' CE2' HG22 ' A' ' 34' ' ' VAL . 2.8 m95 -162.4 151.17 15.0 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.4 pttt -68.99 154.89 41.29 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.72 -42.27 3.06 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.538 1.149 . . . . 0.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -83.88 157.88 21.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 0.764 . . . . 0.0 111.051 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -82.12 -157.34 0.19 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.6 p -86.49 -41.57 14.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.948 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -83.24 3.49 30.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.382 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -96.87 -11.12 25.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.454 ' N ' ' OD1' ' A' ' 44' ' ' ASP . 1.0 OUTLIER -42.43 141.62 0.95 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.311 179.915 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.446 ' OG1' ' NE1' ' A' ' 36' ' ' TRP . 70.8 p -112.21 166.39 11.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 110.38 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.49 ' CH2' ' HB3' ' A' ' 21' ' ' ASP . 61.2 m95 -108.78 124.84 51.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 108.026 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -118.63 137.19 24.59 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 110.244 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.458 ' HA ' ' O ' ' A' ' 30' ' ' THR . 18.2 Cg_endo -75.04 138.42 22.9 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.428 1.752 . . . . 0.0 110.96 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.559 ' HG2' HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -45.91 -45.56 15.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.249 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -53.88 -28.64 37.56 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.457 ' CG ' ' HG2' ' A' ' 48' ' ' PRO . 19.0 m170 -90.67 -22.54 21.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.643 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.745 HD22 HG21 ' A' ' 16' ' ' VAL . 85.3 mt -86.9 54.1 3.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -72.15 144.3 13.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.148 . . . . 0.0 109.233 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 58.92 16.95 4.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 109.285 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 71.5 m -120.58 4.13 10.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.16 . . . . 0.0 108.286 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.404 ' HA ' HD12 ' A' ' 59' ' ' ILE . 2.3 mt-10 -51.77 -35.44 43.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -42.25 -62.51 0.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -55.7 -52.39 64.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 111.031 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.559 HD13 ' HG2' ' A' ' 49' ' ' GLU . 30.2 mt -51.32 -49.75 29.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 19.1 m-70 -55.2 -48.83 73.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.621 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -60.82 -37.39 81.85 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.567 ' CD2' ' HB ' ' A' ' 19' ' ' ILE . 39.3 t80 -70.57 -28.94 65.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 111.044 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -85.87 -36.17 20.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.13 . . . . 0.0 109.346 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.437 ' HG3' ' N ' ' A' ' 65' ' ' ARG . 0.1 OUTLIER -78.29 -26.31 46.99 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.437 ' N ' ' HG3' ' A' ' 64' ' ' ARG . 1.9 mmm180 -52.32 -53.32 45.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 110.293 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 21.6 t-160 -47.2 -64.07 0.88 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 109.583 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 99.3 m -61.48 144.82 53.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.595 1.184 . . . . 0.0 110.385 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -120.14 109.18 15.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 110.344 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.7 mttp -142.57 -59.96 0.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.343 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -47.0 -70.66 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.298 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.71 -168.52 2.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.242 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 59.78 165.85 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.27 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.4 m -62.02 -58.67 6.98 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.432 1.082 . . . . 0.0 110.086 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 48.4 -146.23 5.64 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.564 1.165 . . . . 0.0 110.992 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 112.01 3.46 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.48 1.779 . . . . 0.0 111.014 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 52.0 p -43.68 122.59 2.79 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 110.034 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.41 143.54 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.99 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.483 1.114 . . . . 0.0 110.989 179.983 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.39 159.51 14.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 0.764 . . . . 0.0 110.049 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.25 131.64 35.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 110.01 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.27 138.65 42.82 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.562 1.164 . . . . 0.0 110.972 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.9 p -151.53 127.29 10.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 0.746 . . . . 0.0 109.938 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.7 t -98.59 169.08 9.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.052 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.85 128.32 3.31 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.436 1.085 . . . . 0.0 110.97 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.5 mtt -81.44 -55.89 4.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 0.788 . . . . 0.0 110.972 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 63.7 97.02 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.63 169.07 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.968 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -139.81 127.07 21.23 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.572 1.17 . . . . 0.0 110.238 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.14 160.04 13.54 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 110.308 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.579 ' O ' ' CD1' ' A' ' 14' ' ' TYR . 0.1 OUTLIER -51.69 -68.15 0.19 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.579 ' CD1' ' O ' ' A' ' 13' ' ' LEU . 7.1 m-85 -160.44 134.59 7.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 110.994 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -118.11 141.96 47.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.263 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.731 HG22 HG21 ' A' ' 34' ' ' VAL . 4.1 t -59.74 119.98 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.404 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 14.0 tt0 -75.75 -50.93 13.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 110.305 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.447 ' O ' ' HA ' ' A' ' 34' ' ' VAL . 14.6 ptp180 177.64 163.66 0.59 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.433 1.083 . . . . 0.0 110.286 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.573 ' HB ' ' CD1' ' A' ' 62' ' ' PHE . 4.4 mm -89.53 128.39 41.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.697 ' HB ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -106.61 -14.36 9.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 -179.927 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.491 ' HB3' ' CH2' ' A' ' 46' ' ' TRP . 13.2 t0 -170.71 168.91 7.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.587 ' HG3' ' CE1' ' A' ' 32' ' ' TYR . 0.6 OUTLIER -156.8 139.03 14.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.146 . . . . 0.0 109.271 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.465 ' O ' ' CG ' ' A' ' 31' ' ' GLU . 0.5 OUTLIER -161.9 -178.37 6.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.436 1.085 . . . . 0.0 110.272 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -116.6 162.01 18.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 -99.62 169.78 9.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.73 -29.28 62.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.0 mttm -72.7 -34.41 67.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.165 . . . . 0.0 109.325 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 115.42 8.0 15.27 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.507 1.129 . . . . 0.0 111.028 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.2 mmmt -78.46 134.63 37.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.542 0.789 . . . . 0.0 109.293 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.462 ' O ' ' HA ' ' A' ' 48' ' ' PRO . 20.9 m -77.65 129.34 35.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.422 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.602 ' OE2' ' CE3' ' A' ' 46' ' ' TRP . 8.7 pt-20 -123.49 149.12 45.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.323 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.687 ' CE1' HG23 ' A' ' 59' ' ' ILE . 51.9 m-85 -131.59 119.56 21.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.697 HD23 ' HB ' ' A' ' 20' ' ' VAL . 6.1 tp -70.96 112.96 7.53 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.731 HG21 HG22 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -117.27 157.05 18.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.579 ' O ' ' CG ' ' A' ' 36' ' ' TRP . 0.0 OUTLIER -96.57 175.86 6.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.32 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.603 ' CE2' HG22 ' A' ' 34' ' ' VAL . 2.0 m95 -163.64 178.77 7.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.584 1.178 . . . . 0.0 107.996 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -123.89 161.24 25.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.79 -55.33 4.38 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.467 1.105 . . . . 0.0 111.052 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.635 ' CD2' ' O ' ' A' ' 40' ' ' ASP . 2.7 p90 -73.33 155.6 39.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 0.784 . . . . 0.0 110.971 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.635 ' O ' ' CD2' ' A' ' 39' ' ' TYR . 0.7 OUTLIER -59.75 144.99 46.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.2 t -67.25 -28.64 68.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.004 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -87.08 28.22 0.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.248 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 44' ' ' ASP . 0.2 OUTLIER -128.66 13.02 6.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.363 179.93 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.519 ' HB2' HD11 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -37.48 154.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.94 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -132.99 160.06 38.21 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.434 1.084 . . . . 0.0 110.37 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.602 ' CE3' ' OE2' ' A' ' 31' ' ' GLU . 62.2 m95 -112.76 109.3 18.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 108.027 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -102.2 137.68 19.52 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.329 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.532 ' HG2' ' CD2' ' A' ' 51' ' ' HIS . 18.2 Cg_endo -75.01 143.44 29.03 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.509 1.794 . . . . 0.0 111.005 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.32 -36.34 6.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 110.329 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.42 ' O ' HG23 ' A' ' 53' ' ' VAL . 6.1 tt0 -60.25 -32.81 71.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.239 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.532 ' CD2' ' HG2' ' A' ' 48' ' ' PRO . 26.1 m170 -79.39 -34.25 42.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.63 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.664 HD22 HG21 ' A' ' 16' ' ' VAL . 20.7 mt -80.78 68.33 6.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 50' ' ' GLN . 69.0 t -84.39 136.28 23.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.357 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 69.38 8.56 6.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.351 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 16.2 m -109.48 18.59 20.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 108.334 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -52.46 -46.39 66.48 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.144 . . . . 0.0 110.327 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -41.17 -69.18 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.301 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -41.86 -59.44 1.7 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 111.008 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.687 HG23 ' CE1' ' A' ' 32' ' ' TYR . 31.1 mt -52.4 -51.45 32.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.575 1.172 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -51.44 -62.5 1.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.59 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -50.99 -50.61 58.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.379 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.573 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 8.7 t80 -54.56 -40.0 68.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.99 -48.04 80.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.7 mmt85 -57.27 -57.51 12.29 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.446 1.092 . . . . 0.0 110.322 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.4 mmm180 -51.64 -45.28 63.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.409 1.068 . . . . 0.0 110.267 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 5.2 t-80 -66.09 -66.22 0.58 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.586 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 97.9 m -144.34 134.08 23.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 110.41 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -96.21 -56.07 2.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 110.332 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.434 ' HA ' ' CE ' ' A' ' 69' ' ' LYS . 0.3 OUTLIER -89.69 145.57 25.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 109.353 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -179.15 71.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.165 . . . . 0.0 110.286 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.15 137.08 0.67 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -150.95 104.89 3.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.265 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 74.2 m -170.6 148.49 3.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 109.949 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -170.52 144.27 8.29 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.581 1.175 . . . . 0.0 110.969 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 58.24 4.76 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.508 1.794 . . . . 0.0 111.032 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.46 136.03 0.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 110.052 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 89.1 p -140.04 121.63 15.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 110.011 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.537 1.148 . . . . 0.0 111.039 -179.939 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 m 55.0 96.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.432 0.725 . . . . 0.0 109.973 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.7 t -171.36 121.98 0.53 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.028 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.68 118.23 1.14 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.5 1.125 . . . . 0.0 110.963 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 174.44 151.27 0.1 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.545 0.791 . . . . 0.0 109.97 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.6 p -161.87 168.2 23.41 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.458 1.099 . . . . 0.0 109.995 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.69 145.95 7.87 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.555 1.159 . . . . 0.0 110.981 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.9 mtm 178.26 87.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.425 0.72 . . . . 0.0 111.003 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -175.56 121.45 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.573 1.171 . . . . 0.0 109.295 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 169.2 -171.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.173 . . . . 0.0 110.0 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -132.75 113.97 13.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.252 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -108.07 176.86 4.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.339 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.08 -51.47 38.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -146.81 -166.85 2.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 111.052 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -129.76 143.76 50.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.27 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.637 HG21 ' CD2' ' A' ' 52' ' ' LEU . 3.9 t -72.36 116.28 14.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.342 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -70.68 -52.62 19.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.335 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.407 ' O ' ' HA ' ' A' ' 34' ' ' VAL . 10.1 ptm180 177.54 169.36 0.64 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.284 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.557 ' HB ' ' CD1' ' A' ' 62' ' ' PHE . 4.6 mm -97.58 129.31 47.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.67 ' HB ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -108.16 -22.7 4.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 109.258 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.553 ' HB3' ' CH2' ' A' ' 46' ' ' TRP . 15.3 t0 -161.05 171.77 18.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.56 ' HG3' ' CD1' ' A' ' 32' ' ' TYR . 2.5 tttm -156.05 139.52 15.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.425 ' N ' ' HG2' ' A' ' 22' ' ' LYS . 0.2 OUTLIER -156.8 174.7 15.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.378 1.049 . . . . 0.0 110.344 179.902 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 0.6 OUTLIER -118.69 157.18 27.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.454 ' ND2' ' OE2' ' A' ' 31' ' ' GLU . 28.9 m-20 -95.11 170.1 9.64 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.558 1.162 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.01 -33.0 64.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.67 -33.32 72.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.138 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 111.37 19.2 7.64 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.483 1.114 . . . . 0.0 110.956 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -84.37 135.81 34.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.556 0.798 . . . . 0.0 109.289 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.442 HG23 ' HE2' ' A' ' 22' ' ' LYS . 51.4 m -76.95 122.11 24.42 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.095 . . . . 0.0 110.359 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.454 ' OE2' ' ND2' ' A' ' 25' ' ' ASN . 2.2 mp0 -120.63 124.88 46.32 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.514 1.134 . . . . 0.0 110.298 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.56 ' CD1' ' HG3' ' A' ' 22' ' ' LYS . 54.0 m-85 -109.55 126.37 53.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.991 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.67 HD23 ' HB ' ' A' ' 20' ' ' VAL . 4.4 tp -73.48 113.17 10.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.626 HG22 ' CE2' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -125.34 147.55 30.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.341 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.553 ' C ' ' CG ' ' A' ' 36' ' ' TRP . 10.5 mtm180 -90.84 175.38 7.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.262 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.626 ' CE2' HG22 ' A' ' 34' ' ' VAL . 1.9 m95 -162.7 164.51 26.41 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.28 144.69 37.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.322 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.94 -38.57 3.17 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -89.05 114.1 25.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 0.776 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.417 ' N ' ' HB2' ' A' ' 43' ' ' ASP . 57.3 m-20 -51.34 178.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.404 ' O ' ' CG ' ' A' ' 44' ' ' ASP . 5.0 t -67.33 -34.08 76.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.049 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.54 6.83 39.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.417 ' HB2' ' N ' ' A' ' 40' ' ' ASP . 0.7 OUTLIER -107.62 -8.24 16.21 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.404 ' CG ' ' O ' ' A' ' 41' ' ' SER . 10.7 m-20 -40.06 156.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.586 1.179 . . . . 0.0 109.294 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 69.8 p -122.38 162.31 21.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.418 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.553 ' CH2' ' HB3' ' A' ' 21' ' ' ASP . 68.7 m95 -106.94 101.34 10.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.629 1.206 . . . . 0.0 108.02 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -94.58 149.23 36.21 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 0.0 110.356 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.509 ' HG2' ' CG ' ' A' ' 51' ' ' HIS . 18.2 Cg_endo -74.98 159.67 41.14 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.542 1.811 . . . . 0.0 110.98 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -73.58 -27.62 61.41 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 110.238 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -72.68 -24.75 61.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 110.369 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.509 ' CG ' ' HG2' ' A' ' 48' ' ' PRO . 10.0 m170 -85.79 -28.62 24.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.553 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.637 ' CD2' HG21 ' A' ' 16' ' ' VAL . 45.3 mt -78.56 63.66 3.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 52.8 t -88.48 141.23 14.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.359 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 64.3 13.2 7.8 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 87.0 m -123.68 8.26 8.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 108.323 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.595 ' HA ' HD12 ' A' ' 59' ' ' ILE . 1.3 mt-10 -54.62 -28.56 47.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.31 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -44.61 -67.46 0.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.265 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -49.41 -53.32 23.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.563 1.164 . . . . 0.0 110.941 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.595 HD12 ' HA ' ' A' ' 56' ' ' GLU . 21.1 mt -48.18 -45.84 13.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -59.55 -45.74 90.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.66 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -63.08 -36.25 82.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.285 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.557 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 61.3 t80 -72.18 -26.38 62.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.973 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -88.69 -30.99 18.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.248 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.436 ' HG3' ' N ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -85.07 -26.97 26.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.264 -179.909 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.436 ' N ' ' HG3' ' A' ' 64' ' ' ARG . 3.1 mmm180 -55.87 -47.1 77.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.277 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -76.54 -65.03 0.98 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.556 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 12.2 m -96.82 119.45 35.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 110.419 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -55.04 142.29 30.94 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.569 1.168 . . . . 0.0 110.303 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -165.24 -59.45 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.408 1.067 . . . . 0.0 109.278 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 70.72 -63.91 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.348 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.69 144.49 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 109.344 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 60.12 103.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 82.6 p -50.05 142.34 9.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.008 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -85.72 158.79 32.53 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.518 1.136 . . . . 0.0 111.021 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 173.66 14.14 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.476 1.777 . . . . 0.0 110.944 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 14.5 t -141.83 -58.3 0.47 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.977 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 79.2 p -42.91 119.65 1.55 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.96 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.523 1.14 . . . . 0.0 111.038 -179.977 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.42 -58.49 0.26 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.566 0.803 . . . . 0.0 109.996 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.8 m -143.12 -58.59 0.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.015 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.02 80.97 0.13 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.56 1.162 . . . . 0.0 111.023 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.88 155.98 30.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 0.747 . . . . 0.0 109.962 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 m -110.54 150.73 28.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.153 . . . . 0.0 109.935 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.0 147.0 9.16 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.498 1.124 . . . . 0.0 111.029 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.04 55.93 1.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 0.744 . . . . 0.0 111.051 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -166.53 147.1 6.11 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 99.3 p -132.65 89.66 2.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.578 1.174 . . . . 0.0 110.055 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -173.18 89.99 0.08 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.547 1.155 . . . . 0.0 110.315 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -115.62 175.83 5.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.575 1.172 . . . . 0.0 110.229 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.592 ' O ' ' CD1' ' A' ' 14' ' ' TYR . 0.1 OUTLIER -59.7 -60.89 3.12 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.592 ' CD1' ' O ' ' A' ' 13' ' ' LEU . 22.3 m-85 -162.73 136.47 6.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -127.96 140.77 51.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.34 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.63 HG22 HG21 ' A' ' 34' ' ' VAL . 16.7 t -55.28 126.07 11.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.576 1.173 . . . . 0.0 109.272 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -85.55 -48.7 8.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 110.287 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.422 ' O ' ' HA ' ' A' ' 34' ' ' VAL . 7.2 ptm180 177.65 164.27 0.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.362 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.572 ' HB ' ' CD1' ' A' ' 62' ' ' PHE . 4.1 mm -93.52 127.68 45.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.577 1.173 . . . . 0.0 109.328 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.611 ' HB ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -104.89 -15.58 8.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.556 1.16 . . . . 0.0 109.321 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.45 ' N ' ' HB3' ' A' ' 33' ' ' LEU . 17.9 t0 -173.44 179.52 2.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.576 ' HG3' ' CD2' ' A' ' 32' ' ' TYR . 0.7 OUTLIER -172.27 131.7 0.62 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.236 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.4 ptp85 -150.94 179.85 7.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 110.289 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.447 ' CG ' ' HA2' ' A' ' 28' ' ' GLY . 19.1 ttpt -108.74 151.66 25.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.234 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -90.04 -179.9 5.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.06 -44.57 95.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.84 -29.23 70.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.349 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.447 ' HA2' ' CG ' ' A' ' 24' ' ' LYS . . . 111.57 24.12 5.42 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.487 1.117 . . . . 0.0 111.03 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.85 138.61 31.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 0.776 . . . . 0.0 109.358 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.488 HG22 ' CE1' ' A' ' 32' ' ' TYR . 16.0 m -84.09 123.53 30.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.125 . . . . 0.0 110.373 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -123.96 129.02 50.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 110.29 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.759 ' CE2' HG23 ' A' ' 59' ' ' ILE . 71.4 m-85 -109.83 130.92 55.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.762 HD13 ' CE2' ' A' ' 46' ' ' TRP . 20.2 tp -75.27 107.82 7.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.645 HG22 ' CE2' ' A' ' 36' ' ' TRP . 0.2 OUTLIER -123.84 140.12 48.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.543 1.152 . . . . 0.0 109.319 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.523 ' C ' ' CG ' ' A' ' 36' ' ' TRP . 7.2 mmm180 -85.72 173.91 9.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.275 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.645 ' CE2' HG22 ' A' ' 34' ' ' VAL . 2.4 m95 -161.13 160.06 29.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 108.021 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.8 pttt -67.86 146.81 53.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.36 -43.08 3.17 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.485 1.116 . . . . 0.0 110.957 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -82.8 117.27 22.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 110.99 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -57.9 -167.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.0 t -75.33 -36.98 60.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.981 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -86.94 -3.92 59.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.57 1.169 . . . . 0.0 110.328 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -94.32 -14.67 25.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 109.266 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -40.7 159.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.115 . . . . 0.0 109.257 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.45 ' OG1' ' N ' ' A' ' 46' ' ' TRP . 0.8 OUTLIER -129.92 173.76 10.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.406 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.762 ' CE2' HD13 ' A' ' 33' ' ' LEU . 83.9 m95 -111.87 123.64 50.67 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.915 -1.142 . . . . 0.0 107.915 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -118.89 139.14 26.85 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 110.335 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.479 ' HA ' ' O ' ' A' ' 30' ' ' THR . 18.2 Cg_endo -74.99 134.79 18.26 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.448 1.762 . . . . 0.0 110.959 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -39.6 -46.89 1.87 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -49.66 -44.48 47.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.272 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.47 ' CG ' ' HG2' ' A' ' 48' ' ' PRO . 24.8 m170 -74.05 -22.17 59.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.57 1.169 . . . . 0.0 109.641 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.535 HD21 HG11 ' A' ' 34' ' ' VAL . 22.7 mt -91.6 66.49 5.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.085 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.9 m -79.11 143.46 12.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.242 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 63.12 16.28 9.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.417 ' O ' ' C ' ' A' ' 56' ' ' GLU . 5.0 t -100.73 -14.83 17.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 108.344 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 55' ' ' CYS . 10.4 mt-10 -36.78 -43.77 0.45 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 110.337 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -47.86 -56.72 6.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 110.273 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -61.21 -54.62 41.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.57 1.169 . . . . 0.0 111.035 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.759 HG23 ' CE2' ' A' ' 32' ' ' TYR . 12.9 mt -50.48 -54.5 8.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.593 1.183 . . . . 0.0 109.252 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -43.73 -62.86 0.97 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.593 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -51.75 -52.3 49.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.572 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 9.4 t80 -53.12 -40.24 64.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 110.975 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.6 -34.68 78.83 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -70.35 -59.62 2.75 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.53 1.144 . . . . 0.0 110.301 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.75 -52.92 45.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 56.0 t60 -52.88 -63.76 1.04 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.163 . . . . 0.0 109.579 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 12.8 m -57.77 122.08 11.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.402 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 59.33 166.82 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.432 1.082 . . . . 0.0 110.342 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 17.2 mmtt 66.25 105.2 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.573 1.17 . . . . 0.0 109.331 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 54.81 77.14 0.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.42 1.075 . . . . 0.0 110.275 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.7 ttpt -174.81 -66.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 66.32 123.58 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -141.55 79.99 1.71 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.011 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.63 -165.05 45.71 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.455 1.097 . . . . 0.0 110.988 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 167.83 26.19 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.474 1.776 . . . . 0.0 110.996 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.3 m -126.42 125.05 41.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 110.002 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.5 t -125.45 120.0 29.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.996 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.449 1.093 . . . . 0.0 111.012 -179.993 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.067 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.6 p -122.07 -58.58 1.71 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 0.803 . . . . 0.0 110.009 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.2 t 55.71 94.03 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.417 1.073 . . . . 0.0 109.96 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.4 172.03 40.84 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.47 1.106 . . . . 0.0 111.027 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.26 166.37 12.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 0.771 . . . . 0.0 109.98 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.5 t -46.25 -58.85 3.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.951 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.42 -93.9 0.38 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.44 1.088 . . . . 0.0 111.024 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 12.6 mtm -145.26 164.4 31.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 0.792 . . . . 0.0 111.033 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -102.07 135.24 43.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.094 . . . . 0.0 109.263 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.8 m -68.89 161.86 27.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 110.014 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -107.81 86.87 2.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 110.328 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -92.4 170.15 10.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 110.236 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.402 ' O ' ' CD1' ' A' ' 14' ' ' TYR . 0.1 OUTLIER -74.1 -50.24 20.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.402 ' CD1' ' O ' ' A' ' 13' ' ' LEU . 4.4 m-85 -149.61 -166.99 2.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 111.051 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -100.8 130.04 46.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.817 HG22 ' CH2' ' A' ' 36' ' ' TRP . 11.2 t -61.59 122.77 13.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.414 ' O ' ' HB3' ' A' ' 18' ' ' ARG . 11.5 tt0 -77.94 -49.85 13.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.414 ' HB3' ' O ' ' A' ' 17' ' ' GLU . 14.8 ptp180 177.68 167.26 0.68 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.107 . . . . 0.0 110.29 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.622 HD12 ' HB3' ' A' ' 32' ' ' TYR . 4.6 mm -96.12 128.19 47.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.421 1.076 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.612 ' HB ' HD23 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -104.38 -14.52 8.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.567 ' HB3' ' CH2' ' A' ' 46' ' ' TRP . 3.7 t0 -169.35 167.79 9.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.574 ' HG3' ' CD1' ' A' ' 32' ' ' TYR . 1.9 tttm -155.63 138.3 15.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.415 ' N ' ' HG2' ' A' ' 22' ' ' LYS . 0.7 OUTLIER -157.1 174.73 15.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 110.215 -179.918 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -106.97 152.97 23.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -83.83 177.13 8.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.331 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.68 -37.26 79.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.118 . . . . 0.0 109.287 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -70.39 -36.16 73.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 122.08 38.23 0.61 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -105.18 139.53 39.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.571 0.807 . . . . 0.0 109.248 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.466 ' O ' ' HA ' ' A' ' 48' ' ' PRO . 17.7 m -79.15 121.55 25.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.385 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -113.73 145.04 41.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.293 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.622 ' HB3' HD12 ' A' ' 19' ' ' ILE . 39.9 m-85 -130.38 113.2 14.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 111.016 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.612 HD23 ' HB ' ' A' ' 20' ' ' VAL . 3.4 tp -67.93 116.22 8.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.58 1.175 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.626 HG22 ' CE2' ' A' ' 36' ' ' TRP . 0.2 OUTLIER -122.43 123.21 68.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.445 ' CD ' ' O ' ' A' ' 35' ' ' ARG . 0.1 OUTLIER -84.68 119.29 25.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.817 ' CH2' HG22 ' A' ' 16' ' ' VAL . 0.7 OUTLIER -108.83 175.61 5.4 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.45 161.14 28.9 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.574 1.171 . . . . 0.0 109.334 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.4 -51.5 3.95 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.503 1.127 . . . . 0.0 110.986 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -71.79 120.93 18.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 0.756 . . . . 0.0 111.039 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.419 ' N ' ' HB2' ' A' ' 43' ' ' ASP . 2.9 m-20 -50.84 -179.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.204 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.56 -47.53 72.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 109.943 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -89.52 20.55 3.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 110.24 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.419 ' HB2' ' N ' ' A' ' 40' ' ' ASP . 0.4 OUTLIER -110.6 -20.94 12.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.568 1.168 . . . . 0.0 109.246 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -40.03 153.47 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.564 1.165 . . . . 0.0 109.292 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 22.0 p -110.93 179.33 4.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.439 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.567 ' CH2' ' HB3' ' A' ' 21' ' ' ASP . 65.0 m95 -118.2 116.99 27.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 108.011 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.424 ' OE1' ' CZ2' ' A' ' 36' ' ' TRP . 5.8 mt-10 -114.13 134.1 22.26 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 110.24 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.531 ' HG2' ' CD2' ' A' ' 51' ' ' HIS . 18.4 Cg_endo -74.98 143.67 29.41 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.542 1.811 . . . . 0.0 111.042 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.451 ' HG2' HD13 ' A' ' 59' ' ' ILE . 0.1 OUTLIER -45.6 -49.58 13.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 110.29 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -50.69 -25.81 4.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 110.32 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.531 ' CD2' ' HG2' ' A' ' 48' ' ' PRO . 14.2 m170 -89.99 -31.05 17.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.551 1.157 . . . . 0.0 109.622 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.786 HD22 HG21 ' A' ' 16' ' ' VAL . 57.2 mt -81.92 54.71 2.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.348 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 1.1 m -69.17 145.74 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.332 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 57.53 19.07 5.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 84.9 m -123.91 10.44 8.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 108.316 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -53.64 -35.97 61.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -45.53 -67.36 0.29 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.326 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -47.04 -59.37 3.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 110.994 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.572 HG23 ' CE1' ' A' ' 32' ' ' TYR . 16.8 mt -45.97 -47.67 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -57.53 -46.44 83.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.38 1.05 . . . . 0.0 109.593 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -61.6 -51.92 66.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.567 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 7.3 t80 -54.3 -39.79 67.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.429 1.081 . . . . 0.0 110.934 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.33 -51.99 67.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.338 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.0 mmt85 -55.84 -55.4 32.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 0.0 110.239 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.1 mmm180 -51.75 -53.48 39.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 62.2 t-80 -56.01 -65.73 0.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.526 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 57.0 m -56.46 157.04 5.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 110.402 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -80.82 129.76 34.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.296 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.86 154.21 1.48 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.538 1.149 . . . . 0.0 109.253 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 10.4 mp0 -39.2 -60.23 0.92 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.137 . . . . 0.0 110.302 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 40.84 77.57 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 0.0 109.28 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -150.87 109.88 3.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.318 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 46.9 t -163.2 84.66 0.5 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 109.981 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 53.08 -163.01 2.36 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.578 1.174 . . . . 0.0 111.041 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.9 135.04 18.75 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.515 1.798 . . . . 0.0 111.027 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.49 -58.57 2.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.987 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.2 t -169.59 142.8 2.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.581 1.176 . . . . 0.0 109.947 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 -179.986 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.0 p -77.11 106.75 9.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 0.733 . . . . 0.0 110.002 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.7 m -98.21 153.5 18.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.049 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.06 70.57 0.19 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.495 1.122 . . . . 0.0 110.969 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.7 m -148.98 154.59 39.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 0.743 . . . . 0.0 110.027 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.7 p -71.17 164.38 25.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.025 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.83 167.25 14.44 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.514 1.134 . . . . 0.0 110.971 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.5 ttt -157.13 143.75 18.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 0.779 . . . . 0.0 110.974 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 61.92 96.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.16 -45.91 0.78 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.386 1.054 . . . . 0.0 110.038 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 52.22 88.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.292 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -90.41 170.24 10.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.31 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.31 -51.18 39.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -146.7 -166.69 2.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 111.047 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -122.44 128.64 51.14 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.512 1.133 . . . . 0.0 110.304 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.902 HG22 HG21 ' A' ' 34' ' ' VAL . 4.4 t -50.87 121.02 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -76.93 -49.39 15.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.441 ' O ' ' HA ' ' A' ' 34' ' ' VAL . 14.3 ptp180 178.35 164.45 0.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.255 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.571 ' HB ' ' CD1' ' A' ' 62' ' ' PHE . 4.9 mm -92.33 127.79 44.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.125 . . . . 0.0 109.247 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.622 ' HB ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -104.57 -18.21 6.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.452 ' N ' ' HB3' ' A' ' 33' ' ' LEU . 25.0 t0 -169.92 177.17 4.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.431 1.082 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.582 ' HG3' ' CE1' ' A' ' 32' ' ' TYR . 0.3 OUTLIER -163.78 137.69 5.68 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.435 1.084 . . . . 0.0 109.29 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.409 ' N ' ' HG2' ' A' ' 22' ' ' LYS . 7.8 mtt180 -158.84 -179.51 8.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.312 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.2 ttmt -119.03 158.8 25.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.575 1.172 . . . . 0.0 109.355 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.1 m-20 -95.62 179.18 5.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.261 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -36.06 79.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.604 1.19 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.31 -34.55 76.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 115.31 13.87 8.69 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.8 mmmt -78.31 134.74 37.45 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.472 0.748 . . . . 0.0 109.281 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.522 HG22 ' CE2' ' A' ' 32' ' ' TYR . 5.8 m -78.96 129.34 34.37 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 110.38 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.1 mp0 -126.3 140.01 52.86 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.435 1.084 . . . . 0.0 110.32 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.72 ' CE1' HG23 ' A' ' 59' ' ' ILE . 72.9 m-85 -124.08 127.43 47.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.622 HD23 ' HB ' ' A' ' 20' ' ' VAL . 17.4 tp -73.14 109.11 6.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.343 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.902 HG21 HG22 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -121.35 144.36 30.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.145 . . . . 0.0 109.334 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.575 ' O ' ' CD2' ' A' ' 36' ' ' TRP . 0.0 OUTLIER -85.21 176.74 8.17 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 0.0 110.258 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.623 ' CE2' HG22 ' A' ' 34' ' ' VAL . 3.9 m95 -162.09 156.82 22.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 108.048 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -94.15 142.52 27.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.164 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 110.69 -56.16 0.47 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.451 1.095 . . . . 0.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.619 ' CE2' ' O ' ' A' ' 40' ' ' ASP . 0.5 OUTLIER -86.49 172.48 10.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.405 0.709 . . . . 0.0 110.996 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.619 ' O ' ' CE2' ' A' ' 39' ' ' TYR . 0.0 OUTLIER -105.52 134.11 49.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.403 1.064 . . . . 0.0 109.272 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 40' ' ' ASP . 11.0 t -38.62 -31.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.375 1.047 . . . . 0.0 110.011 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 40' ' ' ASP . 9.2 mt-10 -49.87 -30.18 9.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.271 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.83 42.38 1.42 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.566 1.166 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.506 ' HB2' HD11 ' A' ' 33' ' ' LEU . 0.2 OUTLIER -46.65 171.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.215 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.454 ' OG1' ' NE1' ' A' ' 36' ' ' TRP . 6.7 p -141.75 132.55 25.77 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.514 1.134 . . . . 0.0 110.35 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 89.9 m95 -97.23 88.27 4.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.566 1.166 . . . . 0.0 108.036 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -85.58 135.27 38.55 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 110.283 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.488 ' HG2' ' CG ' ' A' ' 51' ' ' HIS . 18.2 Cg_endo -75.0 138.51 23.12 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.464 1.77 . . . . 0.0 110.945 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.416 ' HG3' ' CE2' ' A' ' 32' ' ' TYR . 0.3 OUTLIER -39.63 -47.02 1.91 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -49.13 -45.52 43.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.263 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.488 ' CG ' ' HG2' ' A' ' 48' ' ' PRO . 25.9 m170 -72.94 -22.87 60.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 109.579 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.492 HD22 HG21 ' A' ' 16' ' ' VAL . 21.0 mt -91.85 70.38 5.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.481 HG12 ' CG ' ' A' ' 54' ' ' ASN . 84.5 t -80.13 143.05 13.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.481 ' CG ' HG12 ' A' ' 53' ' ' VAL . 5.1 m120 62.79 14.86 7.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.402 ' O ' ' C ' ' A' ' 56' ' ' GLU . 6.7 t -95.42 -14.43 23.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 108.234 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 55' ' ' CYS . 0.9 OUTLIER -37.7 -46.97 0.94 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -45.83 -54.32 8.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.33 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -63.76 -57.65 9.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 0.0 110.975 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.72 HG23 ' CE1' ' A' ' 32' ' ' TYR . 9.3 mt -48.26 -46.45 13.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.427 1.08 . . . . 0.0 109.294 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -51.48 -62.88 1.35 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.565 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -51.99 -46.29 64.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.571 ' CD1' ' HB ' ' A' ' 19' ' ' ILE . 18.9 t80 -58.85 -39.47 81.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.569 1.168 . . . . 0.0 110.959 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -61.23 -40.34 93.65 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -56.93 -54.1 50.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.25 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.0 mmm180 -50.58 -58.58 5.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.312 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -47.62 -65.65 0.53 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.156 . . . . 0.0 109.576 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 53.4 m -60.26 165.45 3.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.591 1.182 . . . . 0.0 110.366 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -113.78 105.95 13.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.366 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -116.35 -57.87 2.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 71.86 -59.31 0.56 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.263 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -40.65 124.41 2.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 109.35 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -151.75 161.15 43.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.352 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 59.6 p -136.59 140.66 43.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.107 . . . . 0.0 109.998 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -101.99 124.28 8.15 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 178.27 7.5 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.484 1.781 . . . . 0.0 110.995 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.42 143.72 50.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.109 . . . . 0.0 110.029 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -157.2 150.52 23.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 1.08 . . . . 0.0 109.975 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.504 1.127 . . . . 0.0 110.982 -179.996 . . . . . . . . 0 0 . 1 stop_ save_